# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_EuN-BDC-2hp

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H28 Eu2 N5 O18'
_chemical_formula_sum            'C44 H28 Eu2 N5 O18'
_chemical_formula_weight         1218.63

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4369(9)
_cell_length_b                   11.2951(7)
_cell_length_c                   12.78610(12)
_cell_angle_alpha                101.639(7)
_cell_angle_beta                 111.064(8)
_cell_angle_gamma                98.473(6)
_cell_volume                     1337.21(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3059
_cell_measurement_theta_min      2.8973
_cell_measurement_theta_max      28.5803

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             597
_exptl_absorpt_coefficient_mu    2.394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.87118
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8569
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0671
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.90
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4710
_reflns_number_gt                4015
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1059P)²+4.7294P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4710
_refine_ls_number_parameters     325
_refine_ls_number_restraints     139
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1562
_refine_ls_wR_factor_gt          0.1471
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_restrained_S_all      0.946
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.3032(10) 0.2267(9) -0.3333(8) 0.054(2) Uani 1 1 d . . .
C2 C -0.4074(9) 0.1079(9) -0.4192(8) 0.051(2) Uani 1 1 d . . .
C3 C -0.3938(13) 0.0620(12) -0.5200(10) 0.084(4) Uani 1 1 d . . .
H3 H -0.3211 0.1033 -0.5348 0.101 Uiso 1 1 calc R . .
C4 C -0.5111(14) 0.0482(13) -0.3968(11) 0.092(5) Uani 1 1 d D . .
C5 C 0.1989(9) 0.4798(8) -0.0747(9) 0.046(2) Uani 1 1 d . . .
C6 C 0.3568(9) 0.4909(9) -0.0371(8) 0.049(2) Uani 1 1 d . . .
C7 C 0.4087(10) 0.4285(13) -0.1098(10) 0.082(4) Uani 1 1 d D . .
C8 C 0.4456(10) 0.5603(12) 0.0704(10) 0.075(4) Uani 1 1 d . . .
H8 H 0.4094 0.6018 0.1197 0.090 Uiso 1 1 calc R . .
C9 C 0.0092(11) 0.7462(8) 0.0002(9) 0.056(3) Uani 1 1 d . . .
C10 C 0.0046(13) 0.8769(9) 0.0000(9) 0.067(3) Uani 1 1 d . . .
C11 C -0.0401(19) 0.9103(9) -0.1013(10) 0.103(6) Uani 1 1 d . . .
H11 H -0.0687 0.8491 -0.1713 0.123 Uiso 1 1 calc R . .
C12 C 0.0448(18) 0.9691(10) 0.1046(9) 0.097(5) Uani 1 1 d D . .
C13 C -0.362(3) 0.610(2) -0.224(2) 0.204(7) Uani 1 1 d DU . .
C14 C -0.602(3) 0.534(3) -0.366(3) 0.248(8) Uani 1 1 d DU . .
H14A H -0.6743 0.5546 -0.4269 0.372 Uiso 1 1 calc R . .
H14B H -0.6351 0.5232 -0.3069 0.372 Uiso 1 1 calc R . .
H14C H -0.5811 0.4590 -0.3983 0.372 Uiso 1 1 calc R . .
C15 C -0.517(3) 0.707(3) -0.231(3) 0.250(8) Uani 1 1 d DU . .
H15A H -0.4426 0.7799 -0.1833 0.374 Uiso 1 1 calc R . .
H15B H -0.5355 0.6575 -0.1832 0.374 Uiso 1 1 calc R . .
H15C H -0.6014 0.7322 -0.2715 0.374 Uiso 1 1 calc R . .
C16 C 0.0210(14) 0.6171(15) -0.3349(18) 0.143(5) Uani 1 1 d DU . .
C17 C -0.0557(17) 0.6917(14) -0.4108(13) 0.140(4) Uani 1 1 d DU . .
C18 C -0.1753(17) 0.7302(15) -0.4068(16) 0.146(4) Uani 1 1 d DU . .
H18 H -0.2154 0.7058 -0.3579 0.175 Uiso 1 1 calc R . .
C19 C -0.235(2) 0.8050(16) -0.4756(15) 0.156(5) Uani 1 1 d DU . .
H19 H -0.3146 0.8308 -0.4731 0.187 Uiso 1 1 calc R . .
C20 C -0.174(2) 0.8407(18) -0.5484(17) 0.163(5) Uani 1 1 d DU . .
H20 H -0.2146 0.8906 -0.5940 0.195 Uiso 1 1 calc R . .
C21 C -0.0542(19) 0.8059(15) -0.5568(15) 0.154(4) Uani 1 1 d DU . .
H21 H -0.0140 0.8303 -0.6055 0.184 Uiso 1 1 calc R . .
C22 C -0.0006(15) 0.7312(15) -0.4857(14) 0.144(4) Uani 1 1 d DU . .
O1 O -0.1994(7) 0.2743(6) -0.3488(5) 0.0519(15) Uani 1 1 d . . .
O2 O -0.3251(7) 0.2755(7) -0.2461(7) 0.073(2) Uani 1 1 d . . .
O3 O 0.1188(6) 0.4371(7) -0.1798(6) 0.0542(16) Uani 1 1 d . . .
O4 O 0.1525(6) 0.5142(5) 0.0018(5) 0.0464(14) Uani 1 1 d . . .
O5 O -0.0342(8) 0.6673(5) -0.0975(6) 0.0619(19) Uani 1 1 d . . .
O6 O -0.0500(7) 0.2788(5) -0.0965(5) 0.0519(16) Uani 1 1 d . . .
O7 O -0.3142(9) 0.5221(10) -0.2583(8) 0.098(3) Uani 1 1 d DU . .
O8 O -0.0904(9) 0.5232(7) -0.3359(7) 0.077(2) Uani 1 1 d D . .
O9 O 0.1254(15) 0.6916(14) -0.4846(13) 0.151(4) Uani 1 1 d DU . .
H9 H 0.1496 0.7160 -0.5324 0.227 Uiso 1 1 calc R . .
N1 N -0.529(4) 0.076(3) -0.2880(18) 0.145(11) Uani 0.50 1 d PDU . .
N2 N 0.323(3) 0.366(3) -0.2318(12) 0.142(11) Uani 0.50 1 d PDU . .
N3 N 0.063(4) 0.946(3) 0.2159(18) 0.151(12) Uani 0.50 1 d PDU . .
N4 N -0.476(3) 0.635(2) -0.3157(19) 0.211(7) Uani 1 1 d DU . .
Eu1 Eu -0.10774(4) 0.44818(3) -0.17110(3) 0.03370(18) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.236(12) . ?
C1 O2 1.253(11) . ?
C1 C2 1.519(13) . ?
C1 Eu1 2.843(10) . ?
C2 C3 1.354(15) . ?
C2 C4 1.339(15) . ?
C3 C4 1.417(15) 2_454 ?
C3 H3 0.9300 . ?
C4 C3 1.417(15) 2_454 ?
C4 N1 1.449(5) . ?
C5 O3 1.245(11) . ?
C5 O4 1.259(11) . ?
C5 C6 1.519(11) . ?
C5 Eu1 2.922(8) . ?
C6 C8 1.341(13) . ?
C6 C7 1.366(13) . ?
C7 C8 1.395(14) 2_665 ?
C7 N2 1.447(5) . ?
C8 C7 1.395(14) 2_665 ?
C8 H8 0.9300 . ?
C9 O6 1.255(11) 2_565 ?
C9 O5 1.259(11) . ?
C9 C10 1.485(12) . ?
C10 C11 1.361(14) . ?
C10 C12 1.398(15) . ?
C11 C12 1.379(14) 2_575 ?
C11 H11 0.9300 . ?
C12 C11 1.379(14) 2_575 ?
C12 N3 1.450(5) . ?
C13 O7 1.246(5) . ?
C13 N4 1.450(5) . ?
C14 N4 1.450(5) . ?
C14 C15 2.15(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 N4 1.452(5) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O8 1.448(5) . ?
C16 C17 1.505(5) . ?
C17 C22 1.392(5) . ?
C17 C18 1.395(5) . ?
C18 C19 1.391(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.394(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.393(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.390(5) . ?
C21 H21 0.9300 . ?
C22 O9 1.447(5) . ?
O1 Eu1 2.453(6) . ?
O2 Eu1 2.500(6) . ?
O3 Eu1 2.427(6) . ?
O4 Eu1 2.345(6) 2_565 ?
O4 Eu1 2.692(6) . ?
O5 Eu1 2.362(6) . ?
O6 C9 1.255(11) 2_565 ?
O6 Eu1 2.365(6) . ?
O7 Eu1 2.400(9) . ?
O8 Eu1 2.477(8) . ?
O9 H9 0.8200 . ?
Eu1 O4 2.345(6) 2_565 ?
Eu1 Eu1 3.9569(8) 2_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 O2 120.7(9) . . ?
O1 C1 C2 121.0(8) . . ?
O2 C1 C2 118.3(9) . . ?
O1 C1 Eu1 59.3(5) . . ?
O2 C1 Eu1 61.5(5) . . ?
C2 C1 Eu1 179.5(8) . . ?
C3 C2 C4 119.8(9) . . ?
C3 C2 C1 118.8(9) . . ?
C4 C2 C1 121.4(9) . . ?
C2 C3 C4 120.9(11) . 2_454 ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 2_454 . ?
C2 C4 C3 119.3(11) . 2_454 ?
C2 C4 N1 126.3(16) . . ?
C3 C4 N1 114.0(17) 2_454 . ?
O3 C5 O4 121.7(8) . . ?
O3 C5 C6 119.5(8) . . ?
O4 C5 C6 118.8(8) . . ?
O3 C5 Eu1 54.8(4) . . ?
O4 C5 Eu1 67.0(4) . . ?
C6 C5 Eu1 174.2(7) . . ?
C8 C6 C7 119.8(9) . . ?
C8 C6 C5 119.2(8) . . ?
C7 C6 C5 121.0(8) . . ?
C6 C7 C8 118.8(9) . 2_665 ?
C6 C7 N2 122.9(16) . . ?
C8 C7 N2 117.6(16) 2_665 . ?
C6 C8 C7 121.4(9) . 2_665 ?
C6 C8 H8 119.3 . . ?
C7 C8 H8 119.3 2_665 . ?
O6 C9 O5 124.8(8) 2_565 . ?
O6 C9 C10 118.2(8) 2_565 . ?
O5 C9 C10 117.0(8) . . ?
C11 C10 C12 118.1(9) . . ?
C11 C10 C9 121.3(9) . . ?
C12 C10 C9 120.5(9) . . ?
C10 C11 C12 122.8(10) . 2_575 ?
C10 C11 H11 118.6 . . ?
C12 C11 H11 118.6 2_575 . ?
C11 C12 C10 119.1(10) 2_575 . ?
C11 C12 N3 114.8(17) 2_575 . ?
C10 C12 N3 124.9(17) . . ?
O7 C13 N4 114.0(19) . . ?
N4 C14 C15 42.4(13) . . ?
N4 C14 H14A 109.5 . . ?
C15 C14 H14A 102.2 . . ?
N4 C14 H14B 109.5 . . ?
C15 C14 H14B 73.4 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
C15 C14 H14C 144.4 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N4 C15 C14 42.3(13) . . ?
N4 C15 H15A 109.5 . . ?
C14 C15 H15A 151.7 . . ?
N4 C15 H15B 109.5 . . ?
C14 C15 H15B 84.4 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
C14 C15 H15C 87.6 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 C17 104.5(11) . . ?
C22 C17 C18 117.2(16) . . ?
C22 C17 C16 118.5(15) . . ?
C18 C17 C16 124.2(16) . . ?
C19 C18 C17 120(2) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 119(2) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
C19 C20 C21 124(2) . . ?
C19 C20 H20 118.1 . . ?
C21 C20 H20 118.1 . . ?
C22 C21 C20 114.0(19) . . ?
C22 C21 H21 123.0 . . ?
C20 C21 H21 123.0 . . ?
C21 C22 C17 125.7(16) . . ?
C21 C22 O9 119.1(15) . . ?
C17 C22 O9 115.2(15) . . ?
C1 O1 Eu1 95.1(5) . . ?
C1 O2 Eu1 92.4(6) . . ?
C5 O3 Eu1 100.5(5) . . ?
C5 O4 Eu1 165.2(6) . 2_565 ?
C5 O4 Eu1 87.6(5) . . ?
Eu1 O4 Eu1 103.34(19) 2_565 . ?
C9 O5 Eu1 136.9(6) . . ?
C9 O6 Eu1 138.8(6) 2_565 . ?
C13 O7 Eu1 134.0(13) . . ?
C16 O8 Eu1 128.6(9) . . ?
C22 O9 H9 109.5 . . ?
C13 N4 C14 112(3) . . ?
C13 N4 C15 91.3(10) . . ?
C14 N4 C15 95(3) . . ?
O4 Eu1 O5 76.9(2) 2_565 . ?
O4 Eu1 O6 77.0(2) 2_565 . ?
O5 Eu1 O6 135.1(2) . . ?
O4 Eu1 O7 86.3(3) 2_565 . ?
O5 Eu1 O7 74.8(3) . . ?
O6 Eu1 O7 138.5(3) . . ?
O4 Eu1 O3 126.1(2) 2_565 . ?
O5 Eu1 O3 91.4(3) . . ?
O6 Eu1 O3 75.6(2) . . ?
O7 Eu1 O3 141.4(3) . . ?
O4 Eu1 O1 133.6(2) 2_565 . ?
O5 Eu1 O1 144.3(2) . . ?
O6 Eu1 O1 77.7(2) . . ?
O7 Eu1 O1 87.6(3) . . ?
O3 Eu1 O1 83.3(2) . . ?
O4 Eu1 O8 147.9(3) 2_565 . ?
O5 Eu1 O8 75.1(3) . . ?
O6 Eu1 O8 134.8(3) . . ?
O7 Eu1 O8 71.4(3) . . ?
O3 Eu1 O8 70.3(3) . . ?
O1 Eu1 O8 69.8(2) . . ?
O4 Eu1 O2 83.1(2) 2_565 . ?
O5 Eu1 O2 140.3(3) . . ?
O6 Eu1 O2 70.5(3) . . ?
O7 Eu1 O2 69.9(3) . . ?
O3 Eu1 O2 127.8(2) . . ?
O1 Eu1 O2 51.8(2) . . ?
O8 Eu1 O2 109.1(3) . . ?
O4 Eu1 O4 76.66(19) 2_565 . ?
O5 Eu1 O4 70.1(2) . . ?
O6 Eu1 O4 68.6(2) . . ?
O7 Eu1 O4 143.6(3) . . ?
O3 Eu1 O4 50.26(19) . . ?
O1 Eu1 O4 127.3(2) . . ?
O8 Eu1 O4 107.8(2) . . ?
O2 Eu1 O4 137.4(3) . . ?
O4 Eu1 C1 108.7(3) 2_565 . ?
O5 Eu1 C1 151.6(3) . . ?
O6 Eu1 C1 72.2(2) . . ?
O7 Eu1 C1 77.8(3) . . ?
O3 Eu1 C1 105.8(2) . . ?
O1 Eu1 C1 25.7(2) . . ?
O8 Eu1 C1 89.3(3) . . ?
O2 Eu1 C1 26.1(3) . . ?
O4 Eu1 C1 138.1(2) . . ?
O4 Eu1 C5 101.8(2) 2_565 . ?
O5 Eu1 C5 80.1(3) . . ?
O6 Eu1 C5 70.3(2) . . ?
O7 Eu1 C5 151.1(3) . . ?
O3 Eu1 C5 24.8(2) . . ?
O1 Eu1 C5 105.3(2) . . ?
O8 Eu1 C5 88.7(3) . . ?
O2 Eu1 C5 138.1(3) . . ?
O4 Eu1 C5 25.5(2) . . ?
C1 Eu1 C5 123.9(3) . . ?
O4 Eu1 Eu1 41.44(13) 2_565 2_565 ?
O5 Eu1 Eu1 68.58(16) . 2_565 ?
O6 Eu1 Eu1 67.62(14) . 2_565 ?
O7 Eu1 Eu1 120.6(3) . 2_565 ?
O3 Eu1 Eu1 85.07(15) . 2_565 ?
O1 Eu1 Eu1 145.13(16) . 2_565 ?
O8 Eu1 Eu1 135.26(19) . 2_565 ?
O2 Eu1 Eu1 115.5(2) . 2_565 ?
O4 Eu1 Eu1 35.22(12) . 2_565 ?
C1 Eu1 Eu1 134.1(2) . 2_565 ?
C5 Eu1 Eu1 60.45(19) . 2_565 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.168
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.174

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 1.000 1.000 247 41 ' '
2 0.332 0.114 0.283 8 1 ' '
3 0.668 0.886 0.717 7 1 ' '
_database_code_depnum_ccdc_archive 'CCDC 941883'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-2mIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H28 Eu2 N9 O14'
_chemical_formula_sum            'C38 H28 Eu2 N9 O14'
_chemical_formula_weight         1138.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3371(5)
_cell_length_b                   11.1671(6)
_cell_length_c                   11.8689(9)
_cell_angle_alpha                94.257(5)
_cell_angle_beta                 107.004(5)
_cell_angle_gamma                108.419(5)
_cell_volume                     1221.93(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3306
_cell_measurement_theta_min      2.9040
_cell_measurement_theta_max      28.8994

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             557
_exptl_absorpt_coefficient_mu    2.609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.89236
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8080
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.91
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4289
_reflns_number_gt                3660
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1347P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4289
_refine_ls_number_parameters     298
_refine_ls_number_restraints     119
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0665
_refine_ls_wR_factor_ref         0.1894
_refine_ls_wR_factor_gt          0.1829
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.3024(11) 0.2613(10) 0.3429(9) 0.077(3) Uani 1 1 d . . .
C2 C 1.4008(12) 0.3826(11) 0.4226(10) 0.089(3) Uani 1 1 d . . .
C3 C 1.3634(12) 0.4454(12) 0.5034(12) 0.100(4) Uani 1 1 d . . .
H3 H 1.2707 0.4094 0.5071 0.120 Uiso 1 1 calc R . .
C4 C 1.5434(14) 0.4382(14) 0.4181(13) 0.110(4) Uani 1 1 d D . .
C5 C 0.7951(10) 0.0100(9) 0.0801(9) 0.069(2) Uani 1 1 d . . .
C6 C 0.6435(9) 0.0057(9) 0.0393(8) 0.065(2) Uani 1 1 d . . .
C7 C 0.5994(11) 0.0850(12) 0.1059(10) 0.087(3) Uani 1 1 d D . .
C8 C 0.5462(11) -0.0741(11) -0.0649(10) 0.083(3) Uani 1 1 d . . .
H8 H 0.5780 -0.1229 -0.1101 0.100 Uiso 1 1 calc R . .
C9 C 0.9633(11) -0.2552(9) -0.0021(9) 0.072(2) Uani 1 1 d . . .
C10 C 0.9798(11) -0.3816(8) -0.0019(9) 0.074(2) Uani 1 1 d . . .
C11 C 0.9937(14) -0.4371(10) 0.0989(10) 0.088(3) Uani 1 1 d . . .
H11 H 0.9879 -0.3948 0.1668 0.106 Uiso 1 1 calc R . .
C12 C 0.9844(14) -0.4492(9) -0.1037(9) 0.087(3) Uani 1 1 d D . .
C13 C 1.272(3) -0.1703(16) 0.237(3) 0.202(6) Uani 1 1 d DU A .
C15 C 1.413(4) -0.246(3) 0.155(2) 0.241(8) Uani 1 1 d DU A 1
H15A H 1.4922 -0.2771 0.1698 0.361 Uiso 1 1 calc R A 1
H15B H 1.4304 -0.1753 0.1143 0.361 Uiso 1 1 calc R A 1
H15C H 1.3252 -0.3142 0.1071 0.361 Uiso 1 1 calc R A 1
C14 C 1.379(4) -0.308(3) 0.338(3) 0.227(8) Uani 1 1 d DU A 2
H14A H 1.4704 -0.2970 0.3968 0.341 Uiso 1 1 calc R A 2
H14B H 1.3437 -0.3890 0.2852 0.341 Uiso 1 1 calc R A 2
H14C H 1.3111 -0.3042 0.3769 0.341 Uiso 1 1 calc R A 2
C16 C 1.1898(18) -0.0348(19) 0.4558(13) 0.144(4) Uani 1 1 d DU . .
H16 H 1.2848 0.0080 0.4604 0.173 Uiso 1 1 calc R . .
C17 C 1.1504(18) -0.073(2) 0.5534(16) 0.152(4) Uani 1 1 d DU . .
H17 H 1.2087 -0.0547 0.6334 0.183 Uiso 1 1 calc R . .
C18 C 0.9691(15) -0.1454(17) 0.3858(13) 0.143(4) Uani 1 1 d DU . .
C19 C 0.8181(17) -0.214(2) 0.3009(17) 0.156(4) Uani 1 1 d DU . .
H19A H 0.8141 -0.2011 0.2211 0.234 Uiso 1 1 calc R . .
H19B H 0.7528 -0.1811 0.3243 0.234 Uiso 1 1 calc R . .
H19C H 0.7906 -0.3043 0.3029 0.234 Uiso 1 1 calc R . .
N1 N 1.602(4) 0.391(4) 0.335(3) 0.177(13) Uani 0.50 1 d PDU . .
N2 N 0.686(3) 0.170(2) 0.207(2) 0.113(7) Uani 0.50 1 d PDU . .
N3 N 0.986(3) -0.398(2) -0.212(2) 0.110(6) Uani 0.50 1 d PDU . .
N4 N 1.399(2) -0.206(2) 0.269(2) 0.204(5) Uani 1 1 d DU . .
N5 N 1.0757(14) -0.0662(12) 0.3538(11) 0.120(3) Uani 1 1 d DU . .
N6 N 1.0076(18) -0.1443(17) 0.5053(13) 0.154(4) Uani 1 1 d DU . .
O1 O 1.1749(8) 0.2113(7) 0.3512(6) 0.086(2) Uani 1 1 d . . .
O2 O 1.3380(8) 0.2057(7) 0.2722(7) 0.092(2) Uani 1 1 d . . .
O3 O 0.8701(7) 0.0418(7) 0.1881(6) 0.0780(17) Uani 1 1 d . . .
O4 O 0.8463(6) -0.0184(6) 0.0012(6) 0.0699(15) Uani 1 1 d . . .
O5 O 0.9948(9) -0.1861(6) 0.1003(6) 0.0800(18) Uani 1 1 d . . .
O6 O 1.0798(8) 0.2206(6) 0.0993(6) 0.0774(17) Uani 1 1 d . . .
O7 O 1.2935(13) -0.0535(14) 0.2407(12) 0.142(3) Uani 1 1 d DU . .
Eu01 Eu 1.09977(4) 0.03499(4) 0.17766(3) 0.0618(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.214(13) . ?
C1 O1 1.296(13) . ?
C1 C2 1.463(14) . ?
C1 Eu01 2.853(9) . ?
C2 C3 1.360(16) . ?
C2 C4 1.427(18) . ?
C3 C4 1.411(16) 2_866 ?
C3 H3 0.9300 . ?
C4 C3 1.411(16) 2_866 ?
C4 N1 1.45(3) . ?
C5 O3 1.244(12) . ?
C5 O4 1.269(11) . ?
C5 C6 1.482(13) . ?
C5 Eu01 2.933(9) . ?
C6 C8 1.370(13) . ?
C6 C7 1.407(13) . ?
C7 N2 1.34(2) . ?
C7 C8 1.402(15) 2_655 ?
C8 C7 1.402(15) 2_655 ?
C8 H8 0.9300 . ?
C9 O6 1.245(12) 2_755 ?
C9 O5 1.284(12) . ?
C9 C10 1.475(13) . ?
C10 C11 1.379(15) . ?
C10 C12 1.398(14) . ?
C11 C12 1.361(14) 2_745 ?
C11 H11 0.9300 . ?
C12 C11 1.361(14) 2_745 ?
C12 N3 1.45(2) . ?
C13 O7 1.247(5) . ?
C13 N4 1.444(5) . ?
C15 N4 1.450(5) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C14 N4 1.448(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C16 N5 1.350(5) . ?
C16 C17 1.390(5) . ?
C16 H16 0.9300 . ?
C17 N6 1.354(5) . ?
C17 H17 0.9300 . ?
C18 N5 1.349(5) . ?
C18 N6 1.355(5) . ?
C18 C19 1.500(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
N5 Eu01 2.487(13) . ?
O1 Eu01 2.494(6) . ?
O2 Eu01 2.461(7) . ?
O3 Eu01 2.438(7) . ?
O4 Eu01 2.356(7) 2_755 ?
O4 Eu01 2.688(6) . ?
O5 Eu01 2.346(7) . ?
O6 C9 1.245(12) 2_755 ?
O6 Eu01 2.377(7) . ?
O7 Eu01 2.456(13) . ?
Eu01 O4 2.356(7) 2_755 ?


loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 C1 O1 119.7(9) . . ?
O2 C1 C2 122.1(11) . . ?
O1 C1 C2 118.2(10) . . ?
O2 C1 Eu01 59.1(5) . . ?
O1 C1 Eu01 60.9(5) . . ?
C2 C1 Eu01 175.9(8) . . ?
C3 C2 C4 117.6(10) . . ?
C3 C2 C1 122.9(11) . . ?
C4 C2 C1 119.5(11) . . ?
C2 C3 C4 124.0(11) . 2_866 ?
C2 C3 H3 118.0 . . ?
C4 C3 H3 118.0 2_866 . ?
C3 C4 C2 118.4(11) 2_866 . ?
C3 C4 N1 115(2) 2_866 . ?
C2 C4 N1 126.3(19) . . ?
O3 C5 O4 121.1(8) . . ?
O3 C5 C6 121.0(8) . . ?
O4 C5 C6 117.8(9) . . ?
O3 C5 Eu01 54.8(5) . . ?
O4 C5 Eu01 66.4(5) . . ?
C6 C5 Eu01 175.3(6) . . ?
C8 C6 C7 119.7(9) . . ?
C8 C6 C5 120.0(8) . . ?
C7 C6 C5 120.3(8) . . ?
N2 C7 C8 117.3(13) . 2_655 ?
N2 C7 C6 124.9(13) . . ?
C8 C7 C6 117.8(9) 2_655 . ?
C6 C8 C7 122.5(9) . 2_655 ?
C6 C8 H8 118.8 . . ?
C7 C8 H8 118.8 2_655 . ?
O6 C9 O5 123.4(9) 2_755 . ?
O6 C9 C10 119.5(9) 2_755 . ?
O5 C9 C10 117.0(9) . . ?
C11 C10 C12 117.3(9) . . ?
C11 C10 C9 121.6(9) . . ?
C12 C10 C9 121.1(9) . . ?
C12 C11 C10 123.1(10) 2_745 . ?
C12 C11 H11 118.5 2_745 . ?
C10 C11 H11 118.5 . . ?
C11 C12 C10 119.6(10) 2_745 . ?
C11 C12 N3 116.0(13) 2_745 . ?
C10 C12 N3 123.9(12) . . ?
O7 C13 N4 116(2) . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N5 C16 C17 112.9(16) . . ?
N5 C16 H16 123.6 . . ?
C17 C16 H16 123.6 . . ?
N6 C17 C16 104.2(16) . . ?
N6 C17 H17 127.9 . . ?
C16 C17 H17 127.9 . . ?
N5 C18 N6 112.9(13) . . ?
N5 C18 C19 123.5(14) . . ?
N6 C18 C19 123.1(15) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C13 N4 C14 110(2) . . ?
C13 N4 C15 105.0(19) . . ?
C14 N4 C15 112(2) . . ?
C18 N5 C16 101.7(13) . . ?
C18 N5 Eu01 137.5(10) . . ?
C16 N5 Eu01 120.5(11) . . ?
C18 N6 C17 107.1(15) . . ?
C1 O1 Eu01 92.1(6) . . ?
C1 O2 Eu01 95.8(6) . . ?
C5 O3 Eu01 100.5(5) . . ?
C5 O4 Eu01 162.3(6) . 2_755 ?
C5 O4 Eu01 88.0(5) . . ?
Eu01 O4 Eu01 105.0(2) 2_755 . ?
C9 O5 Eu01 134.4(7) . . ?
C9 O6 Eu01 140.8(6) 2_755 . ?
C13 O7 Eu01 123.9(13) . . ?
O5 Eu01 O4 77.0(2) . 2_755 ?
O5 Eu01 O6 133.9(2) . . ?
O4 Eu01 O6 75.2(2) 2_755 . ?
O5 Eu01 O3 91.2(3) . . ?
O4 Eu01 O3 124.3(2) 2_755 . ?
O6 Eu01 O3 75.6(3) . . ?
O5 Eu01 O2 140.9(3) . . ?
O4 Eu01 O2 88.9(2) 2_755 . ?
O6 Eu01 O2 74.1(3) . . ?
O3 Eu01 O2 126.0(2) . . ?
O5 Eu01 O7 73.4(4) . . ?
O4 Eu01 O7 80.3(3) 2_755 . ?
O6 Eu01 O7 135.0(4) . . ?
O3 Eu01 O7 148.0(4) . . ?
O2 Eu01 O7 68.3(4) . . ?
O5 Eu01 N5 75.5(3) . . ?
O4 Eu01 N5 145.5(3) 2_755 . ?
O6 Eu01 N5 139.4(3) . . ?
O3 Eu01 N5 76.8(3) . . ?
O2 Eu01 N5 99.6(4) . . ?
O7 Eu01 N5 72.2(4) . . ?
O5 Eu01 O1 147.6(3) . . ?
O4 Eu01 O1 134.5(2) 2_755 . ?
O6 Eu01 O1 72.5(2) . . ?
O3 Eu01 O1 76.8(2) . . ?
O2 Eu01 O1 51.9(2) . . ?
O7 Eu01 O1 101.2(4) . . ?
N5 Eu01 O1 72.5(3) . . ?
O5 Eu01 O4 69.6(2) . . ?
O4 Eu01 O4 75.0(2) 2_755 . ?
O6 Eu01 O4 68.2(2) . . ?
O3 Eu01 O4 50.3(2) . . ?
O2 Eu01 O4 141.6(3) . . ?
O7 Eu01 O4 139.1(3) . . ?
N5 Eu01 O4 113.5(3) . . ?
O1 Eu01 O4 119.5(2) . . ?
O5 Eu01 C1 155.6(3) . . ?
O4 Eu01 C1 110.7(3) 2_755 . ?
O6 Eu01 C1 69.8(3) . . ?
O3 Eu01 C1 102.0(3) . . ?
O2 Eu01 C1 25.0(3) . . ?
O7 Eu01 C1 84.9(4) . . ?
N5 Eu01 C1 87.5(4) . . ?
O1 Eu01 C1 27.0(3) . . ?
O4 Eu01 C1 134.2(2) . . ?
O5 Eu01 C5 80.2(3) . . ?
O4 Eu01 C5 100.1(2) 2_755 . ?
O6 Eu01 C5 69.6(3) . . ?
O3 Eu01 C5 24.6(2) . . ?
O2 Eu01 C5 138.6(3) . . ?
O7 Eu01 C5 152.8(4) . . ?
N5 Eu01 C5 95.3(4) . . ?
O1 Eu01 C5 97.7(3) . . ?
O4 Eu01 C5 25.6(2) . . ?
C1 Eu01 C5 119.3(3) . . ?
O5 Eu01 Eu01 68.50(18) . 2_755 ?
O4 Eu01 Eu01 40.40(15) 2_755 2_755 ?
O6 Eu01 Eu01 66.43(15) . 2_755 ?
O3 Eu01 Eu01 84.39(16) . 2_755 ?
O2 Eu01 Eu01 121.0(2) . 2_755 ?
O7 Eu01 Eu01 114.0(3) . 2_755 ?
N5 Eu01 Eu01 138.8(3) . 2_755 ?
O1 Eu01 Eu01 137.93(19) . 2_755 ?
O4 Eu01 Eu01 34.61(14) . 2_755 ?
C1 Eu01 Eu01 132.6(2) . 2_755 ?
C5 Eu01 Eu01 59.9(2) . 2_755 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.793
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.204

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.171 0.500 0.671 246 51 ' '
2 0.500 1.000 0.500 43 4 ' '

_database_code_depnum_ccdc_archive 'CCDC 941884'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-2mpy

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H13 Eu2 N4 O15'
_chemical_formula_sum            'C30 H13 Eu2 N4 O15'
_chemical_formula_weight         973.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5378(13)
_cell_length_b                   11.3009(8)
_cell_length_c                   12.9441(11)
_cell_angle_alpha                107.074(7)
_cell_angle_beta                 107.411(10)
_cell_angle_gamma                92.773(8)
_cell_volume                     1390.3(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2781
_cell_measurement_theta_min      2.9975
_cell_measurement_theta_max      28.9802

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             467
_exptl_absorpt_coefficient_mu    2.282
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.86204
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8890
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         24.99
_reflns_number_total             4891
_reflns_number_gt                3734
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1049P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4891
_refine_ls_number_parameters     280
_refine_ls_number_restraints     164
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0659
_refine_ls_wR_factor_ref         0.1705
_refine_ls_wR_factor_gt          0.1636
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5262(11) 0.2715(9) 0.3391(7) 0.081(2) Uani 1 1 d U B .
C2 C 0.5140(12) 0.3912(9) 0.4229(8) 0.089(2) Uani 1 1 d U . .
C3 C 0.3896(13) 0.4217(11) 0.4211(10) 0.117(4) Uani 1 1 d U . .
H3 H 0.3132 0.3699 0.3662 0.141 Uiso 1 1 calc R . .
C4 C 0.6230(13) 0.4725(12) 0.5009(11) 0.123(4) Uani 1 1 d DU . .
C5 C 0.7616(10) 0.0338(8) 0.0650(9) 0.079(2) Uani 1 1 d . . .
C6 C 0.8857(9) 0.0176(8) 0.0331(8) 0.079(2) Uani 1 1 d . . .
C7 C 1.0156(10) 0.0625(10) 0.1119(8) 0.093(3) Uani 1 1 d D . .
C8 C 0.8748(11) -0.0460(9) -0.0783(8) 0.091(3) Uani 1 1 d . . .
H8 H 0.7899 -0.0785 -0.1319 0.109 Uiso 1 1 calc R . .
C9 C 0.4943(10) 0.2441(7) 0.0003(8) 0.074(2) Uani 1 1 d . . .
C10 C 0.4963(10) 0.3759(7) 0.0003(7) 0.080(2) Uani 1 1 d . . .
C11 C 0.4569(11) 0.4034(7) -0.1006(8) 0.086(3) Uani 1 1 d . . .
H11 H 0.4276 0.3379 -0.1695 0.103 Uiso 1 1 calc R . .
C12 C 0.5404(11) 0.4765(8) 0.1025(8) 0.086(3) Uani 1 1 d D . .
C13 C 0.503(2) -0.092(2) 0.3531(19) 0.162(3) Uani 0.50 1 d PDU . .
C14 C 0.528(2) -0.143(2) 0.441(2) 0.162(3) Uani 0.50 1 d PDU C .
H14 H 0.4609 -0.1936 0.4482 0.195 Uiso 0.50 1 calc PR . .
C15 C 0.658(3) -0.115(2) 0.5180(18) 0.162(3) Uani 0.50 1 d PDU . .
H15 H 0.6781 -0.1481 0.5780 0.195 Uiso 0.50 1 calc PR C .
C16 C 0.759(2) -0.040(2) 0.5084(19) 0.162(3) Uani 0.50 1 d PDU B .
H16 H 0.8453 -0.0224 0.5610 0.195 Uiso 0.50 1 calc PR A 1
N1 N 0.7604(15) 0.457(3) 0.507(2) 0.149(6) Uani 0.50 1 d PDU . .
N2 N 1.043(2) 0.121(2) 0.2332(9) 0.124(6) Uani 0.50 1 d PDU . .
N3 N 0.601(3) 0.463(3) 0.2139(13) 0.143(8) Uani 0.50 1 d PDU . .
N4 N 0.600(3) -0.016(2) 0.3397(17) 0.162(3) Uani 0.50 1 d PDU B .
O1 O 0.4222(7) 0.1975(6) 0.2720(5) 0.0881(17) Uani 1 1 d . B .
O2 O 0.6416(7) 0.2473(6) 0.3372(5) 0.0881(17) Uani 1 1 d . B .
O3 O 0.7732(7) 0.0751(6) 0.1719(6) 0.0931(18) Uani 1 1 d . . .
O4 O 0.3508(7) -0.0055(5) 0.0080(6) 0.0816(15) Uani 1 1 d . . .
O5 O 0.5375(7) 0.2253(5) 0.0952(5) 0.0805(16) Uani 1 1 d . . .
O6 O 0.4492(7) 0.1589(5) -0.0964(5) 0.0838(16) Uani 1 1 d . . .
C17 C 0.728(2) 0.008(2) 0.419(2) 0.162(3) Uani 0.50 1 d PDU B 1
H17 H 0.7954 0.0588 0.4115 0.195 Uiso 0.50 1 calc PR B 1
O8 O 0.6898(14) 0.0047(12) 0.3342(10) 0.086(3) Uani 0.50 1 d PU B 2
C18 C 0.355(4) -0.158(4) 0.254(3) 0.161(3) Uani 0.50 1 d PU C 1
H18A H 0.3421 -0.1256 0.1914 0.242 Uiso 0.50 1 calc PR C 1
H18B H 0.2844 -0.1382 0.2868 0.242 Uiso 0.50 1 calc PR C 1
H18C H 0.3520 -0.2466 0.2274 0.242 Uiso 0.50 1 calc PR C 1
O7 O 0.3923(13) -0.0583(12) 0.2348(9) 0.161(3) Uani 1 1 d U B 2
Eu01 Eu 0.54566(5) 0.05784(3) 0.16976(3) 0.0709(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.253(11) . ?
C1 O2 1.265(12) . ?
C1 C2 1.504(12) . ?
C1 Eu01 2.808(8) . ?
C2 C4 1.357(16) . ?
C2 C3 1.367(16) . ?
C3 C4 1.361(14) 2_666 ?
C3 H3 0.9300 . ?
C4 C3 1.361(14) 2_666 ?
C4 N1 1.447(5) . ?
C5 O4 1.230(11) 2_655 ?
C5 O3 1.289(11) . ?
C5 C6 1.488(13) . ?
C5 Eu01 2.963(9) . ?
C6 C8 1.376(12) . ?
C6 C7 1.402(13) . ?
C7 C8 1.353(14) 2_755 ?
C7 N2 1.446(5) . ?
C8 C7 1.353(14) 2_755 ?
C8 H8 0.9300 . ?
C9 O5 1.261(10) . ?
C9 O6 1.270(10) . ?
C9 C10 1.489(11) . ?
C10 C11 1.378(13) . ?
C10 C12 1.398(12) . ?
C11 C12 1.363(12) 2_665 ?
C11 H11 0.9300 . ?
C12 C11 1.363(12) 2_665 ?
C12 N3 1.449(5) . ?
C13 C14 1.387(5) . ?
C13 N4 1.389(5) . ?
C13 C18 1.66(4) . ?
C13 O7 1.78(2) . ?
C14 C15 1.388(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.387(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.384(5) . ?
C16 H16 0.9300 . ?
N4 O8 0.99(3) . ?
N4 C17 1.384(5) . ?
N4 Eu01 2.497(19) . ?
O1 Eu01 2.437(6) . ?
O2 Eu01 2.461(6) . ?
O3 Eu01 2.388(7) . ?
O4 C5 1.230(11) 2_655 ?
O4 Eu01 2.349(7) . ?
O4 Eu01 2.756(6) 2_655 ?
O5 Eu01 2.357(6) . ?
O6 Eu01 2.362(6) 2_655 ?
C17 H17 0.9300 . ?
O8 Eu01 2.470(12) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
O7 Eu01 2.510(13) . ?
Eu01 O6 2.362(6) 2_655 ?
Eu01 O4 2.756(6) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 O2 121.0(8) . . ?
O1 C1 C2 119.7(9) . . ?
O2 C1 C2 119.4(9) . . ?
O1 C1 Eu01 60.0(4) . . ?
O2 C1 Eu01 61.1(4) . . ?
C2 C1 Eu01 175.5(7) . . ?
C4 C2 C3 117.8(9) . . ?
C4 C2 C1 122.4(10) . . ?
C3 C2 C1 119.8(10) . . ?
C4 C3 C2 120.4(11) 2_666 . ?
C4 C3 H3 119.8 2_666 . ?
C2 C3 H3 119.8 . . ?
C2 C4 C3 121.7(12) . 2_666 ?
C2 C4 N1 123.8(13) . . ?
C3 C4 N1 114.5(14) 2_666 . ?
O4 C5 O3 119.8(9) 2_655 . ?
O4 C5 C6 121.5(9) 2_655 . ?
O3 C5 C6 118.7(9) . . ?
O4 C5 Eu01 68.3(5) 2_655 . ?
O3 C5 Eu01 51.6(5) . . ?
C6 C5 Eu01 168.9(7) . . ?
C8 C6 C7 117.3(9) . . ?
C8 C6 C5 119.5(9) . . ?
C7 C6 C5 123.2(8) . . ?
C8 C7 C6 120.9(8) 2_755 . ?
C8 C7 N2 115.7(13) 2_755 . ?
C6 C7 N2 123.3(12) . . ?
C7 C8 C6 121.8(9) 2_755 . ?
C7 C8 H8 119.1 2_755 . ?
C6 C8 H8 119.1 . . ?
O5 C9 O6 125.0(7) . . ?
O5 C9 C10 118.1(7) . . ?
O6 C9 C10 116.8(8) . . ?
C11 C10 C12 117.5(8) . . ?
C11 C10 C9 121.2(7) . . ?
C12 C10 C9 121.3(8) . . ?
C12 C11 C10 122.1(8) 2_665 . ?
C12 C11 H11 118.9 2_665 . ?
C10 C11 H11 118.9 . . ?
C11 C12 C10 120.4(8) 2_665 . ?
C11 C12 N3 115.5(13) 2_665 . ?
C10 C12 N3 123.7(13) . . ?
C14 C13 N4 123.2(13) . . ?
C14 C13 C18 111(2) . . ?
N4 C13 C18 125(2) . . ?
C14 C13 O7 152.1(18) . . ?
N4 C13 O7 84.4(16) . . ?
C18 C13 O7 43.8(14) . . ?
C13 C14 C15 116.8(12) . . ?
C13 C14 H14 121.6 . . ?
C15 C14 H14 121.6 . . ?
C16 C15 C14 122.2(11) . . ?
C16 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
C17 C16 C15 118.6(11) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
O8 N4 C17 48.2(16) . . ?
O8 N4 C13 154(2) . . ?
C17 N4 C13 117.5(12) . . ?
O8 N4 Eu01 77.0(13) . . ?
C17 N4 Eu01 122.4(15) . . ?
C13 N4 Eu01 119.9(15) . . ?
C1 O1 Eu01 93.5(6) . . ?
C1 O2 Eu01 92.1(5) . . ?
C5 O3 Eu01 103.3(6) . . ?
C5 O4 Eu01 170.2(6) 2_655 . ?
C5 O4 Eu01 87.2(5) 2_655 2_655 ?
Eu01 O4 Eu01 102.5(2) . 2_655 ?
C9 O5 Eu01 139.2(5) . . ?
C9 O6 Eu01 136.7(6) . 2_655 ?
N4 C17 C16 121.7(11) . . ?
N4 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
N4 O8 Eu01 80.0(13) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13 O7 Eu01 104.0(10) . . ?
O4 Eu01 O5 76.0(2) . . ?
O4 Eu01 O6 78.2(2) . 2_655 ?
O5 Eu01 O6 134.65(19) . 2_655 ?
O4 Eu01 O3 127.0(2) . . ?
O5 Eu01 O3 83.4(2) . . ?
O6 Eu01 O3 83.2(2) 2_655 . ?
O4 Eu01 O1 88.7(2) . . ?
O5 Eu01 O1 76.7(2) . . ?
O6 Eu01 O1 139.1(2) 2_655 . ?
O3 Eu01 O1 133.1(2) . . ?
O4 Eu01 O2 136.0(2) . . ?
O5 Eu01 O2 74.6(2) . . ?
O6 Eu01 O2 144.4(2) 2_655 . ?
O3 Eu01 O2 80.8(2) . . ?
O1 Eu01 O2 53.1(2) . . ?
O4 Eu01 O8 146.1(3) . . ?
O5 Eu01 O8 137.9(3) . . ?
O6 Eu01 O8 75.4(3) 2_655 . ?
O3 Eu01 O8 70.3(4) . . ?
O1 Eu01 O8 97.5(3) . . ?
O2 Eu01 O8 69.3(3) . . ?
O4 Eu01 N4 127.8(6) . . ?
O5 Eu01 N4 149.0(6) . . ?
O6 Eu01 N4 74.9(6) 2_655 . ?
O3 Eu01 N4 93.2(7) . . ?
O1 Eu01 N4 83.6(6) . . ?
O2 Eu01 N4 74.4(6) . . ?
O8 Eu01 N4 23.0(6) . . ?
O4 Eu01 O7 78.4(3) . . ?
O5 Eu01 O7 136.6(3) . . ?
O6 Eu01 O7 71.2(3) 2_655 . ?
O3 Eu01 O7 139.7(3) . . ?
O1 Eu01 O7 68.2(3) . . ?
O2 Eu01 O7 102.0(3) . . ?
O8 Eu01 O7 73.2(4) . . ?
N4 Eu01 O7 50.8(7) . . ?
O4 Eu01 O4 77.5(2) . 2_655 ?
O5 Eu01 O4 69.56(19) . 2_655 ?
O6 Eu01 O4 68.83(19) 2_655 2_655 ?
O3 Eu01 O4 49.5(2) . 2_655 ?
O1 Eu01 O4 145.7(2) . 2_655 ?
O2 Eu01 O4 120.3(2) . 2_655 ?
O8 Eu01 O4 111.5(3) . 2_655 ?
N4 Eu01 O4 129.5(6) . 2_655 ?
O7 Eu01 O4 136.6(3) . 2_655 ?
O4 Eu01 C1 112.3(3) . . ?
O5 Eu01 C1 72.7(2) . . ?
O6 Eu01 C1 152.4(2) 2_655 . ?
O3 Eu01 C1 107.0(3) . . ?
O1 Eu01 C1 26.4(3) . . ?
O2 Eu01 C1 26.8(3) . . ?
O8 Eu01 C1 83.9(4) . . ?
N4 Eu01 C1 78.9(6) . . ?
O7 Eu01 C1 85.6(3) . . ?
O4 Eu01 C1 137.1(2) 2_655 . ?
O4 Eu01 C5 102.0(3) . . ?
O5 Eu01 C5 76.0(2) . . ?
O6 Eu01 C5 73.7(2) 2_655 . ?
O3 Eu01 C5 25.0(2) . . ?
O1 Eu01 C5 147.2(2) . . ?
O2 Eu01 C5 101.7(2) . . ?
O8 Eu01 C5 90.6(4) . . ?
N4 Eu01 C5 112.0(6) . . ?
O7 Eu01 C5 144.1(3) . . ?
O4 Eu01 C5 24.5(2) 2_655 . ?
C1 Eu01 C5 125.3(3) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.628
_refine_diff_density_min         -0.743
_refine_diff_density_rms         0.178

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.892 577 106 ' '
_database_code_depnum_ccdc_archive 'CCDC 941885'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-4(5)mIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H28 Eu2 N9 O14'
_chemical_formula_sum            'C38 H28 Eu2 N9 O14'
_chemical_formula_weight         1138.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4157(15)
_cell_length_b                   11.2176(18)
_cell_length_c                   11.806(2)
_cell_angle_alpha                93.298(14)
_cell_angle_beta                 109.635(14)
_cell_angle_gamma                106.949(14)
_cell_volume                     1224.1(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1598
_cell_measurement_theta_min      3.3098
_cell_measurement_theta_max      25.6559

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             557
_exptl_absorpt_coefficient_mu    2.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.31828
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7780
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_sigmaI/netI    0.1154
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.32
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4283
_reflns_number_gt                2931
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1283P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4283
_refine_ls_number_parameters     298
_refine_ls_number_restraints     126
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0742
_refine_ls_wR_factor_ref         0.2116
_refine_ls_wR_factor_gt          0.1855
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.973
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.39272(6) 0.46538(5) 0.81718(5) 0.0443(3) Uani 1 1 d . . .
N1 N -0.109(6) 0.132(5) 0.629(5) 0.23(2) Uani 0.50 1 d PDU . .
N2 N 0.794(3) 0.342(3) 0.781(2) 0.142(13) Uani 0.50 1 d PDU . .
N3 N 0.557(4) 0.907(4) 1.225(2) 0.141(13) Uani 0.50 1 d PDU . .
N4 N 0.037(3) 0.647(3) 0.712(3) 0.199(6) Uani 1 1 d DU . .
N5 N 0.4264(16) 0.5772(16) 0.6460(15) 0.140(4) Uani 1 1 d DU . .
N6 N 0.5274(19) 0.6528(17) 0.5147(17) 0.150(4) Uani 1 1 d DU . .
C1 C 0.1948(15) 0.2399(13) 0.6502(13) 0.063(3) Uani 1 1 d . . .
C2 C 0.0924(15) 0.1164(12) 0.5753(11) 0.065(4) Uani 1 1 d . . .
C3 C 0.1326(17) 0.0584(15) 0.4931(16) 0.093(5) Uani 1 1 d . . .
H3 H 0.2217 0.0965 0.4871 0.112 Uiso 1 1 calc R . .
C4 C -0.0400(18) 0.0579(17) 0.5816(16) 0.094(6) Uani 1 1 d D . .
C5 C 0.7035(14) 0.4952(12) 0.9210(13) 0.057(3) Uani 1 1 d . . .
C6 C 0.8566(13) 0.4988(12) 0.9605(11) 0.053(3) Uani 1 1 d . . .
C7 C 0.8985(15) 0.4242(14) 0.8930(13) 0.070(4) Uani 1 1 d D . .
C8 C 0.9574(14) 0.5751(14) 1.0657(12) 0.069(4) Uani 1 1 d . . .
H8 H 0.9309 0.6275 1.1110 0.083 Uiso 1 1 calc R . .
C9 C 0.5253(16) 0.7501(11) 0.9998(12) 0.062(4) Uani 1 1 d . . .
C10 C 0.5131(17) 0.8793(11) 1.0041(12) 0.065(4) Uani 1 1 d . . .
C11 C 0.4908(18) 0.9314(16) 0.8957(15) 0.085(5) Uani 1 1 d U . .
H11 H 0.4883 0.8863 0.8259 0.102 Uiso 1 1 calc R . .
C12 C 0.5278(17) 0.9482(15) 1.1080(14) 0.076(4) Uani 1 1 d DU . .
C13 C 0.171(4) 0.635(3) 0.791(3) 0.199(6) Uani 1 1 d DU . .
C14 C 0.053(4) 0.772(3) 0.767(3) 0.201(6) Uani 1 1 d DU . .
H14A H 0.1509 0.8121 0.8222 0.302 Uiso 1 1 calc R . .
H14B H -0.0108 0.7640 0.8111 0.302 Uiso 1 1 calc R . .
H14C H 0.0291 0.8212 0.7045 0.302 Uiso 1 1 calc R . .
C15 C -0.086(3) 0.579(3) 0.603(3) 0.202(6) Uani 1 1 d DU . .
H15A H -0.0734 0.5028 0.5738 0.302 Uiso 1 1 calc R . .
H15B H -0.0948 0.6308 0.5407 0.302 Uiso 1 1 calc R . .
H15C H -0.1724 0.5570 0.6211 0.302 Uiso 1 1 calc R . .
C16 C 0.380(2) 0.6684(17) 0.5938(17) 0.146(4) Uani 1 1 d DU . .
H16 H 0.3117 0.6953 0.6125 0.175 Uiso 1 1 calc R . .
C17 C 0.437(2) 0.7185(18) 0.5129(17) 0.149(4) Uani 1 1 d DU . .
C18 C 0.5210(19) 0.5698(18) 0.5931(16) 0.146(4) Uani 1 1 d DU . .
H18 H 0.5745 0.5151 0.6084 0.175 Uiso 1 1 calc R . .
C19 C 0.425(3) 0.820(2) 0.437(2) 0.152(4) Uani 1 1 d DU . .
H19A H 0.4803 0.8212 0.3859 0.228 Uiso 1 1 calc R . .
H19B H 0.4621 0.9010 0.4894 0.228 Uiso 1 1 calc R . .
H19C H 0.3258 0.8042 0.3867 0.228 Uiso 1 1 calc R . .
O1 O 0.1599(10) 0.2886(9) 0.7323(11) 0.086(3) Uani 1 1 d . . .
O2 O 0.3061(11) 0.2941(8) 0.6381(8) 0.069(3) Uani 1 1 d . . .
O3 O 0.6261(9) 0.4672(9) 0.8120(8) 0.065(2) Uani 1 1 d . . .
O4 O 0.3421(9) 0.4755(8) 0.9957(8) 0.058(2) Uani 1 1 d . . .
O5 O 0.4916(12) 0.6844(8) 0.8984(9) 0.075(3) Uani 1 1 d . . .
O6 O 0.4317(11) 0.2829(7) 0.8991(8) 0.066(2) Uani 1 1 d . . .
O7 O 0.1862(18) 0.5436(17) 0.7367(13) 0.140(4) Uani 1 1 d DU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O4 2.343(8) . ?
Eu01 O5 2.368(8) . ?
Eu01 O6 2.395(8) . ?
Eu01 O3 2.447(9) . ?
Eu01 O7 2.474(19) . ?
Eu01 O1 2.480(10) . ?
Eu01 O2 2.493(9) . ?
Eu01 N5 2.509(18) . ?
Eu01 O4 2.758(9) 2_667 ?
Eu01 C1 2.861(14) . ?
Eu01 C5 2.958(13) . ?
Eu01 Eu01 4.0435(14) 2_667 ?
N1 C4 1.449(5) . ?
N2 C7 1.447(5) . ?
N3 C12 1.449(5) . ?
N4 C14 1.447(5) . ?
N4 C15 1.447(5) . ?
N4 C13 1.450(5) . ?
N5 C18 1.350(2) . ?
N5 C16 1.350(2) . ?
N6 C17 1.353(5) . ?
N6 C18 1.354(5) . ?
C1 O2 1.201(15) . ?
C1 O1 1.288(17) . ?
C1 C2 1.484(18) . ?
C2 C4 1.37(2) . ?
C2 C3 1.38(2) . ?
C3 C4 1.40(2) 2_556 ?
C3 H3 0.9300 . ?
C4 C3 1.40(2) 2_556 ?
C5 O3 1.230(15) . ?
C5 O4 1.291(15) 2_667 ?
C5 C6 1.491(17) . ?
C6 C8 1.362(17) . ?
C6 C7 1.376(17) . ?
C7 C8 1.411(18) 2_767 ?
C8 C7 1.411(18) 2_767 ?
C8 H8 0.9300 . ?
C9 O6 1.245(14) 2_667 ?
C9 O5 1.251(15) . ?
C9 C10 1.491(17) . ?
C10 C12 1.349(19) . ?
C10 C11 1.415(19) . ?
C11 C12 1.42(2) 2_677 ?
C11 H11 0.9300 . ?
C12 C11 1.42(2) 2_677 ?
C13 O7 1.250(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.352(5) . ?
C16 H16 0.9300 . ?
C17 C19 1.501(5) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
O4 C5 1.291(15) 2_667 ?
O4 Eu01 2.758(9) 2_667 ?
O6 C9 1.245(14) 2_667 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu01 O5 77.1(3) . . ?
O4 Eu01 O6 75.7(3) . . ?
O5 Eu01 O6 132.7(3) . . ?
O4 Eu01 O3 124.2(3) . . ?
O5 Eu01 O3 90.1(4) . . ?
O6 Eu01 O3 74.7(3) . . ?
O4 Eu01 O7 83.2(4) . . ?
O5 Eu01 O7 76.0(5) . . ?
O6 Eu01 O7 136.6(4) . . ?
O3 Eu01 O7 146.1(4) . . ?
O4 Eu01 O1 85.0(3) . . ?
O5 Eu01 O1 141.9(4) . . ?
O6 Eu01 O1 72.3(4) . . ?
O3 Eu01 O1 127.5(3) . . ?
O7 Eu01 O1 68.5(4) . . ?
O4 Eu01 O2 132.6(3) . . ?
O5 Eu01 O2 148.4(3) . . ?
O6 Eu01 O2 74.0(3) . . ?
O3 Eu01 O2 80.9(3) . . ?
O7 Eu01 O2 94.9(5) . . ?
O1 Eu01 O2 51.4(3) . . ?
O4 Eu01 N5 145.9(5) . . ?
O5 Eu01 N5 73.6(4) . . ?
O6 Eu01 N5 138.0(5) . . ?
O3 Eu01 N5 73.2(5) . . ?
O7 Eu01 N5 73.3(5) . . ?
O1 Eu01 N5 107.9(4) . . ?
O2 Eu01 N5 74.8(4) . . ?
O4 Eu01 O4 75.4(3) . 2_667 ?
O5 Eu01 O4 68.3(3) . 2_667 ?
O6 Eu01 O4 67.8(3) . 2_667 ?
O3 Eu01 O4 49.8(3) . 2_667 ?
O7 Eu01 O4 141.5(5) . 2_667 ?
O1 Eu01 O4 138.7(3) . 2_667 ?
O2 Eu01 O4 123.1(3) . 2_667 ?
N5 Eu01 O4 108.6(4) . 2_667 ?
O4 Eu01 C1 109.6(4) . . ?
O5 Eu01 C1 156.8(4) . . ?
O6 Eu01 C1 70.0(4) . . ?
O3 Eu01 C1 103.0(4) . . ?
O7 Eu01 C1 82.6(5) . . ?
O1 Eu01 C1 26.7(4) . . ?
O2 Eu01 C1 24.7(3) . . ?
N5 Eu01 C1 91.8(5) . . ?
O4 Eu01 C1 134.5(3) 2_667 . ?
O4 Eu01 C5 100.5(3) . . ?
O5 Eu01 C5 79.7(4) . . ?
O6 Eu01 C5 68.3(3) . . ?
O3 Eu01 C5 24.0(3) . . ?
O7 Eu01 C5 154.0(5) . . ?
O1 Eu01 C5 137.2(3) . . ?
O2 Eu01 C5 101.0(4) . . ?
N5 Eu01 C5 91.1(4) . . ?
O4 Eu01 C5 25.8(3) 2_667 . ?
C1 Eu01 C5 119.3(4) . . ?
O4 Eu01 Eu01 41.3(2) . 2_667 ?
O5 Eu01 Eu01 67.6(2) . 2_667 ?
O6 Eu01 Eu01 66.4(2) . 2_667 ?
O3 Eu01 Eu01 83.4(2) . 2_667 ?
O7 Eu01 Eu01 117.7(4) . 2_667 ?
O1 Eu01 Eu01 117.5(3) . 2_667 ?
O2 Eu01 Eu01 139.9(2) . 2_667 ?
N5 Eu01 Eu01 134.2(3) . 2_667 ?
O4 Eu01 Eu01 34.10(16) 2_667 2_667 ?
C1 Eu01 Eu01 132.2(3) . 2_667 ?
C5 Eu01 Eu01 59.4(3) . 2_667 ?
C14 N4 C15 121(3) . . ?
C14 N4 C13 99(2) . . ?
C15 N4 C13 139(3) . . ?
C18 N5 C16 101.0(19) . . ?
C18 N5 Eu01 124.7(14) . . ?
C16 N5 Eu01 133.6(15) . . ?
C17 N6 C18 110.2(18) . . ?
O2 C1 O1 119.9(12) . . ?
O2 C1 C2 123.4(13) . . ?
O1 C1 C2 116.7(13) . . ?
O2 C1 Eu01 60.2(7) . . ?
O1 C1 Eu01 59.9(7) . . ?
C2 C1 Eu01 173.9(10) . . ?
C4 C2 C3 118.3(13) . . ?
C4 C2 C1 124.1(14) . . ?
C3 C2 C1 117.6(14) . . ?
C2 C3 C4 120.5(14) . 2_556 ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 2_556 . ?
C2 C4 C3 121.2(14) . 2_556 ?
C2 C4 N1 120(3) . . ?
C3 C4 N1 116(3) 2_556 . ?
O3 C5 O4 122.3(12) . 2_667 ?
O3 C5 C6 119.9(12) . . ?
O4 C5 C6 117.8(12) 2_667 . ?
O3 C5 Eu01 54.0(6) . . ?
O4 C5 Eu01 68.4(7) 2_667 . ?
C6 C5 Eu01 173.1(9) . . ?
C8 C6 C7 118.8(12) . . ?
C8 C6 C5 120.2(11) . . ?
C7 C6 C5 121.0(12) . . ?
C6 C7 C8 120.3(12) . 2_767 ?
C6 C7 N2 120(2) . . ?
C8 C7 N2 120(2) 2_767 . ?
C6 C8 C7 120.9(12) . 2_767 ?
C6 C8 H8 119.5 . . ?
C7 C8 H8 119.5 2_767 . ?
O6 C9 O5 125.7(11) 2_667 . ?
O6 C9 C10 115.2(12) 2_667 . ?
O5 C9 C10 119.1(11) . . ?
C12 C10 C11 119.8(13) . . ?
C12 C10 C9 122.2(12) . . ?
C11 C10 C9 117.9(12) . . ?
C10 C11 C12 120.8(14) . 2_677 ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 2_677 . ?
C10 C12 C11 119.2(14) . 2_677 ?
C10 C12 N3 125(2) . . ?
C11 C12 N3 116(2) 2_677 . ?
O7 C13 N4 106(2) . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N5 C16 C17 117(2) . . ?
N5 C16 H16 121.6 . . ?
C17 C16 H16 121.6 . . ?
C16 C17 N6 101.2(18) . . ?
C16 C17 C19 137(2) . . ?
N6 C17 C19 122(2) . . ?
N5 C18 N6 110.8(19) . . ?
N5 C18 H18 124.6 . . ?
N6 C18 H18 124.6 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C1 O1 Eu01 93.4(8) . . ?
C1 O2 Eu01 95.1(8) . . ?
C5 O3 Eu01 102.0(8) . . ?
C5 O4 Eu01 162.8(8) 2_667 . ?
C5 O4 Eu01 85.7(7) 2_667 2_667 ?
Eu01 O4 Eu01 104.6(3) . 2_667 ?
C9 O5 Eu01 135.4(8) . . ?
C9 O6 Eu01 139.2(8) 2_667 . ?
C13 O7 Eu01 124.2(18) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         2.180
_refine_diff_density_min         -1.792
_refine_diff_density_rms         0.222

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 239 31 ' '
_database_code_depnum_ccdc_archive 'CCDC 941886'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-atzH

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H18 Eu2 N13 O14'
_chemical_formula_sum            'C34 H18 Eu2 N13 O14'
_chemical_formula_weight         1136.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3923(6)
_cell_length_b                   11.2942(8)
_cell_length_c                   12.3282(8)
_cell_angle_alpha                98.464(6)
_cell_angle_beta                 109.478(6)
_cell_angle_gamma                102.788(6)
_cell_volume                     1291.34(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3774
_cell_measurement_theta_min      3.0567
_cell_measurement_theta_max      29.2843

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             551
_exptl_absorpt_coefficient_mu    2.471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.71198
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9151
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4550
_reflns_number_gt                3971
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1240P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4550
_refine_ls_number_parameters     298
_refine_ls_number_restraints     137
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0561
_refine_ls_wR_factor_ref         0.1678
_refine_ls_wR_factor_gt          0.1596
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.39329(3) 0.45384(3) 0.82555(3) 0.02810(19) Uani 1 1 d . . .
O1 O 0.1679(7) 0.2811(7) 0.7461(7) 0.071(3) Uani 1 1 d . . .
O2 O 0.3099(6) 0.2792(5) 0.6507(5) 0.0435(14) Uani 1 1 d . . .
O3 O 0.6202(6) 0.4346(7) 0.8159(5) 0.0550(18) Uani 1 1 d . . .
O4 O 0.3493(5) 0.4830(5) 1.0016(5) 0.0403(14) Uani 1 1 d . . .
O5 O 0.4365(7) 0.2788(5) 0.9037(5) 0.0452(15) Uani 1 1 d . . .
O6 O 0.4798(9) 0.6751(6) 0.8988(6) 0.066(2) Uani 1 1 d . . .
O7 O 0.1925(15) 0.5293(15) 0.7379(12) 0.146(4) Uani 1 1 d DU . .
C1 C 0.1953(9) 0.2307(8) 0.6648(8) 0.043(2) Uani 1 1 d . . .
C2 C 0.0959(9) 0.1100(8) 0.5800(8) 0.048(2) Uani 1 1 d . . .
C3 C 0.1269(12) 0.0516(12) 0.4916(11) 0.087(5) Uani 1 1 d . . .
H3 H 0.2129 0.0862 0.4846 0.105 Uiso 1 1 calc R . .
C4 C -0.0335(12) 0.0587(12) 0.5889(12) 0.088(5) Uani 1 1 d D . .
C5 C 0.7011(9) 0.4815(8) 0.9223(8) 0.043(2) Uani 1 1 d . . .
C6 C 0.8537(9) 0.4894(9) 0.9609(8) 0.045(2) Uani 1 1 d . . .
C7 C 0.9060(9) 0.4207(12) 0.8905(9) 0.065(3) Uani 1 1 d . . .
C8 C 0.9480(10) 0.5670(10) 1.0698(9) 0.063(3) Uani 1 1 d . . .
H8 H 0.9132 0.6119 1.1173 0.075 Uiso 1 1 calc R . .
C9 C 0.4807(12) 0.2519(8) 1.0006(8) 0.050(2) Uani 1 1 d . . .
C10 C 0.4900(14) 0.1210(8) 0.9974(8) 0.062(3) Uani 1 1 d . . .
C11 C 0.5277(18) 0.0822(9) 1.1028(9) 0.093(5) Uani 1 1 d . . .
H11 H 0.5466 0.1385 1.1732 0.111 Uiso 1 1 calc R . .
C12 C 0.4619(17) 0.0367(10) 0.8937(9) 0.082(4) Uani 1 1 d D . .
C13 C 0.4365(19) 0.492(2) 0.5605(13) 0.166(5) Uani 1 1 d DU . .
C14 C 0.541(2) 0.664(2) 0.5783(19) 0.204(5) Uani 1 1 d DU . .
C15 C 0.152(3) 0.625(2) 0.746(2) 0.204(6) Uani 1 1 d DU . .
C16 C 0.069(3) 0.737(3) 0.624(3) 0.232(8) Uani 1 1 d DU . .
H16A H -0.0098 0.7530 0.5661 0.348 Uiso 1 1 calc R . .
H16B H 0.1394 0.7294 0.5918 0.348 Uiso 1 1 calc R . .
H16C H 0.1099 0.8058 0.6933 0.348 Uiso 1 1 calc R . .
C17 C -0.129(2) 0.561(3) 0.633(3) 0.220(7) Uani 1 1 d DU . .
H17A H -0.1900 0.5803 0.5646 0.330 Uiso 1 1 calc R . .
H17B H -0.1513 0.5895 0.7004 0.330 Uiso 1 1 calc R . .
H17C H -0.1445 0.4722 0.6195 0.330 Uiso 1 1 calc R . .
N1 N -0.093(9) 0.149(6) 0.636(8) 0.34(4) Uani 0.50 1 d PDU . .
N3 N 0.442(3) 0.069(2) 0.7806(13) 0.087(6) Uani 0.50 1 d PDU . .
N2 N 0.825(2) 0.341(3) 0.789(2) 0.133(13) Uani 0.50 1 d P . .
N4 N 0.4295(14) 0.5408(11) 0.6649(11) 0.109(3) Uani 1 1 d DU . .
N5 N 0.5026(18) 0.6583(14) 0.6723(18) 0.171(4) Uani 1 1 d DU . .
N6 N 0.500(2) 0.5550(19) 0.497(2) 0.193(5) Uani 1 1 d DU . .
N7 N 0.661(3) 0.750(2) 0.570(2) 0.216(6) Uani 1 1 d DU . .
N8 N 0.018(2) 0.623(2) 0.657(2) 0.205(6) Uani 1 1 d DU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O4 2.356(5) . ?
Eu01 O6 2.381(6) . ?
Eu01 O5 2.388(6) . ?
Eu01 N4 2.437(14) . ?
Eu01 O7 2.408(17) . ?
Eu01 O3 2.456(6) . ?
Eu01 O2 2.456(5) . ?
Eu01 O1 2.477(6) . ?
Eu01 O4 2.667(6) 2_667 ?
Eu01 C1 2.833(8) . ?
Eu01 C5 2.942(9) . ?
Eu01 Eu01 3.9752(7) 2_667 ?
O1 C1 1.226(11) . ?
O2 C1 1.276(10) . ?
O3 C5 1.253(11) . ?
O4 C5 1.273(10) 2_667 ?
O4 Eu01 2.667(6) 2_667 ?
O5 C9 1.237(10) . ?
O6 C9 1.264(11) 2_667 ?
O7 C15 1.245(4) . ?
C1 C2 1.502(11) . ?
C2 C3 1.357(13) . ?
C2 C4 1.389(14) . ?
C3 C4 1.392(13) 2_556 ?
C3 H3 0.9300 . ?
C4 C3 1.392(13) 2_556 ?
C4 N1 1.450(5) . ?
C5 O4 1.273(10) 2_667 ?
C5 C6 1.474(12) . ?
C6 C8 1.387(13) . ?
C6 C7 1.398(12) . ?
C7 N2 1.31(2) . ?
C7 C8 1.398(13) 2_767 ?
C8 C7 1.398(13) 2_767 ?
C8 H8 0.9300 . ?
C9 O6 1.264(11) 2_667 ?
C9 C10 1.499(12) . ?
C10 C12 1.377(14) . ?
C10 C11 1.392(14) . ?
C11 C12 1.377(15) 2_657 ?
C11 H11 0.9300 . ?
C12 C11 1.377(15) 2_657 ?
C12 N3 1.451(4) . ?
C13 N6 1.26(2) 2_666 ?
C13 N4 1.354(5) . ?
C13 N6 1.357(5) . ?
C13 N5 1.98(3) . ?
C13 C14 1.94(4) . ?
C14 N6 1.349(5) . ?
C14 N5 1.350(5) . ?
C14 N7 1.447(5) . ?
C15 N8 1.449(4) . ?
C16 N8 1.450(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 N8 1.449(4) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
N4 N5 1.348(5) . ?
N6 N6 1.25(4) 2_666 ?
N6 C13 1.26(2) 2_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu01 O6 77.6(2) . . ?
O4 Eu01 O5 75.5(2) . . ?
O6 Eu01 O5 135.2(2) . . ?
O4 Eu01 N4 148.0(3) . . ?
O6 Eu01 N4 73.2(3) . . ?
O5 Eu01 N4 135.6(3) . . ?
O4 Eu01 O7 87.4(3) . . ?
O6 Eu01 O7 74.9(4) . . ?
O5 Eu01 O7 137.8(4) . . ?
N4 Eu01 O7 72.8(4) . . ?
O4 Eu01 O3 124.2(2) . . ?
O6 Eu01 O3 93.8(3) . . ?
O5 Eu01 O3 73.3(2) . . ?
N4 Eu01 O3 71.1(3) . . ?
O7 Eu01 O3 143.9(4) . . ?
O4 Eu01 O2 134.24(19) . . ?
O6 Eu01 O2 145.5(2) . . ?
O5 Eu01 O2 75.2(2) . . ?
N4 Eu01 O2 72.6(3) . . ?
O7 Eu01 O2 91.4(4) . . ?
O3 Eu01 O2 78.7(2) . . ?
O4 Eu01 O1 85.2(2) . . ?
O6 Eu01 O1 140.7(3) . . ?
O5 Eu01 O1 71.1(3) . . ?
N4 Eu01 O1 109.7(4) . . ?
O7 Eu01 O1 69.3(4) . . ?
O3 Eu01 O1 124.7(2) . . ?
O2 Eu01 O1 52.3(2) . . ?
O4 Eu01 O4 75.53(18) . 2_667 ?
O6 Eu01 O4 70.0(2) . 2_667 ?
O5 Eu01 O4 68.98(19) . 2_667 ?
N4 Eu01 O4 105.7(3) . 2_667 ?
O7 Eu01 O4 143.4(4) . 2_667 ?
O3 Eu01 O4 50.45(17) . 2_667 ?
O2 Eu01 O4 123.64(19) . 2_667 ?
O1 Eu01 O4 138.8(3) . 2_667 ?
O4 Eu01 C1 109.3(2) . . ?
O6 Eu01 C1 153.2(3) . . ?
O5 Eu01 C1 70.7(2) . . ?
N4 Eu01 C1 91.9(4) . . ?
O7 Eu01 C1 79.5(4) . . ?
O3 Eu01 C1 102.3(2) . . ?
O2 Eu01 C1 26.7(2) . . ?
O1 Eu01 C1 25.6(2) . . ?
O4 Eu01 C1 136.5(2) 2_667 . ?
O4 Eu01 C5 100.5(2) . . ?
O6 Eu01 C5 80.9(3) . . ?
O5 Eu01 C5 69.7(2) . . ?
N4 Eu01 C5 87.5(4) . . ?
O7 Eu01 C5 152.3(4) . . ?
O3 Eu01 C5 24.8(2) . . ?
O2 Eu01 C5 101.3(2) . . ?
O1 Eu01 C5 137.4(3) . . ?
O4 Eu01 C5 25.6(2) 2_667 . ?
C1 Eu01 C5 121.4(2) . . ?
O4 Eu01 Eu01 40.51(13) . 2_667 ?
O6 Eu01 Eu01 69.14(16) . 2_667 ?
O5 Eu01 Eu01 67.10(13) . 2_667 ?
N4 Eu01 Eu01 133.1(3) . 2_667 ?
O7 Eu01 Eu01 120.8(3) . 2_667 ?
O3 Eu01 Eu01 84.60(14) . 2_667 ?
O2 Eu01 Eu01 141.73(15) . 2_667 ?
O1 Eu01 Eu01 117.0(2) . 2_667 ?
O4 Eu01 Eu01 35.02(11) 2_667 2_667 ?
C1 Eu01 Eu01 133.0(2) . 2_667 ?
C5 Eu01 Eu01 60.21(17) . 2_667 ?
C1 O1 Eu01 93.7(5) . . ?
C1 O2 Eu01 93.4(5) . . ?
C5 O3 Eu01 99.9(5) . . ?
C5 O4 Eu01 160.8(6) 2_667 . ?
C5 O4 Eu01 89.3(5) 2_667 2_667 ?
Eu01 O4 Eu01 104.47(18) . 2_667 ?
C9 O5 Eu01 139.7(5) . . ?
C9 O6 Eu01 134.1(6) 2_667 . ?
C15 O7 Eu01 141.4(17) . . ?
O1 C1 O2 120.7(7) . . ?
O1 C1 C2 121.1(8) . . ?
O2 C1 C2 118.2(7) . . ?
O1 C1 Eu01 60.7(4) . . ?
O2 C1 Eu01 59.9(4) . . ?
C2 C1 Eu01 177.4(7) . . ?
C3 C2 C4 118.8(8) . . ?
C3 C2 C1 121.6(9) . . ?
C4 C2 C1 119.5(8) . . ?
C2 C3 C4 121.8(10) . 2_556 ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 2_556 . ?
C2 C4 C3 119.4(10) . 2_556 ?
C2 C4 N1 115(3) . . ?
C3 C4 N1 118(4) 2_556 . ?
O3 C5 O4 120.3(8) . 2_667 ?
O3 C5 C6 119.9(7) . . ?
O4 C5 C6 119.7(8) 2_667 . ?
O3 C5 Eu01 55.3(4) . . ?
O4 C5 Eu01 65.0(4) 2_667 . ?
C6 C5 Eu01 175.2(6) . . ?
C8 C6 C7 119.1(8) . . ?
C8 C6 C5 119.2(8) . . ?
C7 C6 C5 121.6(8) . . ?
N2 C7 C8 116.7(11) . 2_767 ?
N2 C7 C6 123.8(11) . . ?
C8 C7 C6 119.4(8) 2_767 . ?
C6 C8 C7 121.4(8) . 2_767 ?
C6 C8 H8 119.3 . . ?
C7 C8 H8 119.3 2_767 . ?
O5 C9 O6 126.1(8) . 2_667 ?
O5 C9 C10 116.6(8) . . ?
O6 C9 C10 117.3(8) 2_667 . ?
C12 C10 C11 118.4(9) . . ?
C12 C10 C9 122.4(9) . . ?
C11 C10 C9 119.2(8) . . ?
C12 C11 C10 122.2(9) 2_657 . ?
C12 C11 H11 118.9 2_657 . ?
C10 C11 H11 118.9 . . ?
C10 C12 C11 119.4(9) . 2_657 ?
C10 C12 N3 124.5(12) . . ?
C11 C12 N3 115.5(12) 2_657 . ?
N6 C13 N4 151(2) 2_666 . ?
N6 C13 N6 57.1(19) 2_666 . ?
N4 C13 N6 127(2) . . ?
N6 C13 N5 129(2) 2_666 . ?
N4 C13 N5 42.7(9) . . ?
N6 C13 N5 84.2(16) . . ?
N6 C13 C14 95(2) 2_666 . ?
N4 C13 C14 83.0(14) . . ?
N6 C13 C14 43.9(11) . . ?
N5 C13 C14 40.2(6) . . ?
N6 C14 N5 116(2) . . ?
N6 C14 N7 110.0(19) . . ?
N5 C14 N7 130(2) . . ?
N6 C14 C13 44.2(11) . . ?
N5 C14 C13 71.4(13) . . ?
N7 C14 C13 148.3(19) . . ?
O7 C15 N8 118(2) . . ?
N8 C16 H16A 109.5 . . ?
N8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N8 C17 H17A 109.5 . . ?
N8 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N8 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N5 N4 C13 94.3(18) . . ?
N5 N4 Eu01 127.4(12) . . ?
C13 N4 Eu01 134.3(13) . . ?
N4 N5 C14 111.3(18) . . ?
N4 N5 C13 42.9(9) . . ?
C14 N5 C13 68.4(14) . . ?
N6 N6 C13 65.3(16) 2_666 2_666 ?
N6 N6 C14 135(3) 2_666 . ?
C13 N6 C14 132(2) 2_666 . ?
N6 N6 C13 57.6(13) 2_666 . ?
C13 N6 C13 122.9(19) 2_666 . ?
C14 N6 C13 92(2) . . ?
C17 N8 C15 133(3) . . ?
C17 N8 C16 125(3) . . ?
C15 N8 C16 98.1(11) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.864
_refine_diff_density_min         -1.563
_refine_diff_density_rms         0.201

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.014 0.000 -0.014 365 55 ' '
_database_code_depnum_ccdc_archive 'CCDC 941887'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-bzIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H28 Eu2 N9 O14'
_chemical_formula_sum            'C44 H28 Eu2 N9 O14'
_chemical_formula_weight         1210.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3363(12)
_cell_length_b                   11.2395(13)
_cell_length_c                   11.7729(13)
_cell_angle_alpha                91.931(9)
_cell_angle_beta                 108.443(10)
_cell_angle_gamma                109.729(10)
_cell_volume                     1206.1(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3265
_cell_measurement_theta_min      3.2715
_cell_measurement_theta_max      28.4451

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             593
_exptl_absorpt_coefficient_mu    2.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.75009
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7428
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.28
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4228
_reflns_number_gt                3774
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0881P)²+4.1916P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4228
_refine_ls_number_parameters     334
_refine_ls_number_restraints     167
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0507
_refine_ls_wR_factor_ref         0.1466
_refine_ls_wR_factor_gt          0.1416
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3110(11) 0.7590(9) 0.8418(8) 0.056(2) Uani 1 1 d . . .
C2 C 0.4080(11) 0.8840(9) 0.9229(8) 0.058(2) Uani 1 1 d U . .
C3 C 0.3762(14) 0.9228(12) 1.0194(11) 0.086(4) Uani 1 1 d U . .
H3 H 0.2924 0.8715 1.0329 0.103 Uiso 1 1 calc R . .
C4 C 0.5326(14) 0.9620(12) 0.9021(12) 0.091(4) Uani 1 1 d DU . .
C5 C -0.2055(8) 0.5010(8) 0.5815(8) 0.0445(18) Uani 1 1 d U . .
C6 C -0.3572(8) 0.5004(8) 0.5407(7) 0.0428(17) Uani 1 1 d U . .
C7 C -0.3961(9) 0.5788(9) 0.6057(8) 0.053(2) Uani 1 1 d DU . .
C8 C -0.4629(9) 0.4205(9) 0.4362(8) 0.054(2) Uani 1 1 d . . .
H8 H -0.4386 0.3653 0.3935 0.065 Uiso 1 1 calc R . .
C9 C 0.0268(10) 0.7528(7) 0.5002(8) 0.050(2) Uani 1 1 d U . .
C10 C 0.0158(11) 0.8806(8) 0.5019(8) 0.056(2) Uani 1 1 d U . .
C11 C -0.0082(15) 0.9343(9) 0.3948(9) 0.074(3) Uani 1 1 d U . .
H11 H -0.0114 0.8910 0.3247 0.088 Uiso 1 1 calc R . .
C12 C 0.0271(14) 0.9502(9) 0.6085(8) 0.073(3) Uani 1 1 d DU . .
C13 C 0.4359(16) 0.479(2) 0.819(3) 0.140(6) Uani 0.50 1 d PDU . .
C13A C 0.329(5) 0.373(4) 0.726(4) 0.143(6) Uani 0.50 1 d PU . .
C14 C 0.633(2) 0.420(2) 0.873(2) 0.170(5) Uani 1 1 d DU . .
H14A H 0.6734 0.3561 0.8650 0.254 Uiso 1 1 calc R . .
H14B H 0.6413 0.4370 0.9563 0.254 Uiso 1 1 calc R . .
H14C H 0.6853 0.4970 0.8494 0.254 Uiso 1 1 calc R . .
C15 C 0.460(3) 0.265(2) 0.714(2) 0.171(6) Uani 1 1 d DU . .
H15A H 0.5253 0.2233 0.7535 0.257 Uiso 1 1 calc R . .
H15B H 0.4822 0.2947 0.6439 0.257 Uiso 1 1 calc R . .
H15C H 0.3608 0.2058 0.6886 0.257 Uiso 1 1 calc R . .
C16 C -0.0179(12) 0.4363(14) 0.9120(12) 0.146(5) Uani 1 1 d DU . .
H16 H -0.0625 0.4960 0.8939 0.176 Uiso 1 1 calc R . .
C17 C 0.0474(15) 0.2905(15) 1.0035(13) 0.159(5) Uani 1 1 d DU . .
C18 C 0.1013(13) 0.3225(9) 0.9095(12) 0.139(4) Uani 1 1 d DU . .
C19 C 0.1869(16) 0.2559(16) 0.8917(18) 0.159(5) Uani 1 1 d DU . .
H19 H 0.2273 0.2722 0.8310 0.191 Uiso 1 1 calc R . .
C20 C 0.212(2) 0.1653(18) 0.9640(18) 0.175(6) Uani 1 1 d DU . .
H20 H 0.2687 0.1197 0.9530 0.210 Uiso 1 1 calc R . .
C21 C 0.150(2) 0.146(2) 1.054(2) 0.202(7) Uani 1 1 d DU . .
H21 H 0.1688 0.0851 1.1010 0.243 Uiso 1 1 calc R . .
C22 C 0.062(2) 0.2038(17) 1.0837(17) 0.178(6) Uani 1 1 d DU . .
H22 H 0.0225 0.1878 1.1447 0.214 Uiso 1 1 calc R . .
N1 N 0.572(3) 0.946(3) 0.7962(19) 0.122(6) Uani 0.50 1 d PDU . .
N2 N -0.2927(16) 0.665(2) 0.7146(15) 0.090(7) Uani 0.50 1 d PDU . .
N3 N 0.040(2) 0.901(2) 0.7220(13) 0.086(4) Uani 0.50 1 d PDU . .
N4 N 0.4794(19) 0.3732(17) 0.7966(16) 0.151(5) Uani 1 1 d DU . .
N5 N 0.0633(10) 0.4136(8) 0.8499(8) 0.075(2) Uani 1 1 d DU . .
N6 N -0.0301(16) 0.3667(15) 1.0024(15) 0.164(5) Uani 1 1 d DU . .
O1 O 0.1951(8) 0.6952(6) 0.8593(6) 0.0634(18) Uani 1 1 d . . .
O2 O 0.3438(7) 0.7201(7) 0.7582(7) 0.070(2) Uani 1 1 d . . .
O3 O -0.1298(6) 0.5295(6) 0.6910(5) 0.0535(15) Uani 1 1 d . . .
O4 O 0.1572(6) 0.5310(5) 0.4972(5) 0.0467(13) Uani 1 1 d . . .
O5 O 0.0127(8) 0.3143(6) 0.6004(5) 0.0606(17) Uani 1 1 d . . .
O6 O 0.0700(7) 0.7163(5) 0.6011(5) 0.0499(14) Uani 1 1 d . . .
O7 O 0.3059(9) 0.4613(8) 0.7592(9) 0.089(3) Uani 1 1 d D . .
Eu01 Eu 0.10605(4) 0.53368(3) 0.67894(3) 0.03615(18) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.248(12) . ?
C1 O1 1.256(12) . ?
C1 C2 1.497(12) . ?
C1 Eu01 2.839(8) . ?
C2 C3 1.375(16) . ?
C2 C4 1.393(17) . ?
C3 C4 1.401(15) 2_677 ?
C3 H3 0.9300 . ?
C4 C3 1.401(15) 2_677 ?
C4 N1 1.452(5) . ?
C5 O3 1.241(10) . ?
C5 O4 1.277(10) 2_566 ?
C5 C6 1.484(11) . ?
C5 Eu01 2.943(8) . ?
C6 C7 1.383(11) . ?
C6 C8 1.388(11) . ?
C7 C8 1.386(12) 2_466 ?
C7 N2 1.442(5) . ?
C8 C7 1.386(12) 2_466 ?
C8 H8 0.9300 . ?
C9 O5 1.250(10) 2_566 ?
C9 O6 1.264(10) . ?
C9 C10 1.479(11) . ?
C10 C11 1.404(14) . ?
C10 C12 1.407(13) . ?
C11 C12 1.377(13) 2_576 ?
C11 H11 0.9300 . ?
C12 C11 1.377(13) 2_576 ?
C12 N3 1.448(5) . ?
C13 O7 1.248(5) . ?
C13 N4 1.449(5) . ?
C13 C13A 1.45(5) . ?
C13A O7 1.18(5) . ?
C13A N4 1.51(5) . ?
C14 N4 1.451(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 N4 1.451(5) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 N5 1.351(5) . ?
C16 N6 1.354(5) . ?
C16 H16 0.9300 . ?
C17 N6 1.354(5) . ?
C17 C22 1.391(5) . ?
C17 C18 1.396(5) . ?
C18 N5 1.356(5) . ?
C18 C19 1.394(5) . ?
C19 C20 1.388(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.393(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.392(5) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
N5 Eu01 2.532(10) . ?
O1 Eu01 2.455(6) . ?
O2 Eu01 2.498(6) . ?
O3 Eu01 2.471(6) . ?
O4 C5 1.277(10) 2_566 ?
O4 Eu01 2.362(6) . ?
O4 Eu01 2.688(6) 2_566 ?
O5 C9 1.250(10) 2_566 ?
O5 Eu01 2.354(6) . ?
O6 Eu01 2.371(5) . ?
O7 Eu01 2.402(7) . ?
Eu01 O4 2.688(6) 2_566 ?
Eu01 Eu01 3.9940(9) 2_566 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 C1 O1 120.9(8) . . ?
O2 C1 C2 120.8(10) . . ?
O1 C1 C2 118.3(9) . . ?
O2 C1 Eu01 61.6(4) . . ?
O1 C1 Eu01 59.6(4) . . ?
C2 C1 Eu01 174.2(6) . . ?
C3 C2 C4 119.1(9) . . ?
C3 C2 C1 120.6(10) . . ?
C4 C2 C1 120.3(10) . . ?
C2 C3 C4 121.5(12) . 2_677 ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 2_677 . ?
C2 C4 C3 119.5(11) . 2_677 ?
C2 C4 N1 126.5(15) . . ?
C3 C4 N1 113.5(16) 2_677 . ?
O3 C5 O4 121.4(7) . 2_566 ?
O3 C5 C6 119.7(8) . . ?
O4 C5 C6 118.8(7) 2_566 . ?
O3 C5 Eu01 55.9(4) . . ?
O4 C5 Eu01 65.9(4) 2_566 . ?
C6 C5 Eu01 173.0(6) . . ?
C7 C6 C8 118.7(7) . . ?
C7 C6 C5 120.9(7) . . ?
C8 C6 C5 120.3(7) . . ?
C6 C7 C8 119.9(7) . 2_466 ?
C6 C7 N2 122.3(10) . . ?
C8 C7 N2 117.8(10) 2_466 . ?
C7 C8 C6 121.4(7) 2_466 . ?
C7 C8 H8 119.3 2_466 . ?
C6 C8 H8 119.3 . . ?
O5 C9 O6 124.2(7) 2_566 . ?
O5 C9 C10 118.2(8) 2_566 . ?
O6 C9 C10 117.6(8) . . ?
C11 C10 C12 118.6(8) . . ?
C11 C10 C9 119.8(9) . . ?
C12 C10 C9 121.7(8) . . ?
C12 C11 C10 121.3(9) 2_576 . ?
C12 C11 H11 119.3 2_576 . ?
C10 C11 H11 119.3 . . ?
C11 C12 C10 120.1(9) 2_576 . ?
C11 C12 N3 115.9(12) 2_576 . ?
C10 C12 N3 123.6(12) . . ?
O7 C13 N4 113.9(15) . . ?
O7 C13 C13A 51(2) . . ?
N4 C13 C13A 63(2) . . ?
O7 C13A C13 55(2) . . ?
O7 C13A N4 114(3) . . ?
C13 C13A N4 58.6(17) . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N5 C16 N6 115.8(15) . . ?
N5 C16 H16 122.1 . . ?
N6 C16 H16 122.1 . . ?
N6 C17 C22 124.5(19) . . ?
N6 C17 C18 103.2(16) . . ?
C22 C17 C18 132.2(18) . . ?
N5 C18 C19 129.9(16) . . ?
N5 C18 C17 115.5(14) . . ?
C19 C18 C17 114.6(15) . . ?
C20 C19 C18 120(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 117(3) . . ?
C19 C20 H20 121.5 . . ?
C21 C20 H20 121.5 . . ?
C22 C21 C20 130(3) . . ?
C22 C21 H21 115.0 . . ?
C20 C21 H21 115.0 . . ?
C17 C22 C21 106(2) . . ?
C17 C22 H22 127.1 . . ?
C21 C22 H22 127.1 . . ?
C13 N4 C14 102.4(14) . . ?
C13 N4 C15 149(2) . . ?
C14 N4 C15 105.0(18) . . ?
C13 N4 C13A 59(2) . . ?
C14 N4 C13A 160(2) . . ?
C15 N4 C13A 92(2) . . ?
C16 N5 C18 99.1(13) . . ?
C16 N5 Eu01 121.9(10) . . ?
C18 N5 Eu01 139.1(10) . . ?
C16 N6 C17 106.5(17) . . ?
C1 O1 Eu01 94.2(5) . . ?
C1 O2 Eu01 92.4(6) . . ?
C5 O3 Eu01 99.5(5) . . ?
C5 O4 Eu01 157.9(5) 2_566 . ?
C5 O4 Eu01 88.4(4) 2_566 2_566 ?
Eu01 O4 Eu01 104.35(19) . 2_566 ?
C9 O5 Eu01 137.2(6) 2_566 . ?
C9 O6 Eu01 139.6(5) . . ?
C13A O7 C13 73(2) . . ?
C13A O7 Eu01 132(2) . . ?
C13 O7 Eu01 152.8(11) . . ?
O5 Eu01 O4 76.5(2) . . ?
O5 Eu01 O6 134.3(2) . . ?
O4 Eu01 O6 75.7(2) . . ?
O5 Eu01 O7 74.2(3) . . ?
O4 Eu01 O7 85.5(3) . . ?
O6 Eu01 O7 137.8(3) . . ?
O5 Eu01 O1 146.5(2) . . ?
O4 Eu01 O1 134.0(2) . . ?
O6 Eu01 O1 75.5(2) . . ?
O7 Eu01 O1 92.4(3) . . ?
O5 Eu01 O3 93.6(2) . . ?
O4 Eu01 O3 124.23(19) . . ?
O6 Eu01 O3 73.5(2) . . ?
O7 Eu01 O3 144.9(3) . . ?
O1 Eu01 O3 79.8(2) . . ?
O5 Eu01 O2 140.3(2) . . ?
O4 Eu01 O2 84.7(2) . . ?
O6 Eu01 O2 71.2(2) . . ?
O7 Eu01 O2 69.7(3) . . ?
O1 Eu01 O2 52.2(2) . . ?
O3 Eu01 O2 125.6(2) . . ?
O5 Eu01 N5 73.5(2) . . ?
O4 Eu01 N5 146.6(2) . . ?
O6 Eu01 N5 136.9(3) . . ?
O7 Eu01 N5 72.6(3) . . ?
O1 Eu01 N5 73.3(2) . . ?
O3 Eu01 N5 72.4(3) . . ?
O2 Eu01 N5 109.8(3) . . ?
O5 Eu01 O4 69.6(2) . 2_566 ?
O4 Eu01 O4 75.65(19) . 2_566 ?
O6 Eu01 O4 68.79(19) . 2_566 ?
O7 Eu01 O4 142.1(3) . 2_566 ?
O1 Eu01 O4 124.4(2) . 2_566 ?
O3 Eu01 O4 50.17(18) . 2_566 ?
O2 Eu01 O4 138.5(2) . 2_566 ?
N5 Eu01 O4 106.6(2) . 2_566 ?
O5 Eu01 C1 154.5(2) . . ?
O4 Eu01 C1 109.1(3) . . ?
O6 Eu01 C1 70.1(2) . . ?
O7 Eu01 C1 81.3(3) . . ?
O1 Eu01 C1 26.2(3) . . ?
O3 Eu01 C1 102.5(3) . . ?
O2 Eu01 C1 26.1(3) . . ?
N5 Eu01 C1 92.5(3) . . ?
O4 Eu01 C1 135.8(2) 2_566 . ?
O5 Eu01 C5 82.8(2) . . ?
O4 Eu01 C5 100.1(2) . . ?
O6 Eu01 C5 67.4(2) . . ?
O7 Eu01 C5 154.4(3) . . ?
O1 Eu01 C5 101.1(2) . . ?
O3 Eu01 C5 24.6(2) . . ?
O2 Eu01 C5 135.4(2) . . ?
N5 Eu01 C5 90.4(3) . . ?
O4 Eu01 C5 25.7(2) 2_566 . ?
C1 Eu01 C5 119.3(3) . . ?
O5 Eu01 Eu01 68.10(15) . 2_566 ?
O4 Eu01 Eu01 40.69(13) . 2_566 ?
O6 Eu01 Eu01 67.10(13) . 2_566 ?
O7 Eu01 Eu01 119.0(2) . 2_566 ?
O1 Eu01 Eu01 142.22(17) . 2_566 ?
O3 Eu01 Eu01 84.36(14) . 2_566 ?
O2 Eu01 Eu01 116.7(2) . 2_566 ?
N5 Eu01 Eu01 133.29(19) . 2_566 ?
O4 Eu01 Eu01 34.96(12) 2_566 2_566 ?
C1 Eu01 Eu01 132.5(2) . 2_566 ?
C5 Eu01 Eu01 59.84(17) . 2_566 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.528
_refine_diff_density_min         -1.516
_refine_diff_density_rms         0.172

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 1.000 0.500 166 28 ' '
_database_code_depnum_ccdc_archive 'CCDC 941888'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-hmIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H28 Eu2 N9 O16'
_chemical_formula_sum            'C38 H28 Eu2 N9 O16'
_chemical_formula_weight         1170.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4361(13)
_cell_length_b                   11.2002(17)
_cell_length_c                   11.7349(16)
_cell_angle_alpha                93.473(12)
_cell_angle_beta                 110.054(12)
_cell_angle_gamma                106.436(12)
_cell_volume                     1216.8(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3483
_cell_measurement_theta_min      3.2234
_cell_measurement_theta_max      29.2226

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             573
_exptl_absorpt_coefficient_mu    2.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.80593
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8005
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.23
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4280
_reflns_number_gt                3699
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1111P)²+1.1972P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4280
_refine_ls_number_parameters     307
_refine_ls_number_restraints     118
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0581
_refine_ls_wR_factor_ref         0.1713
_refine_ls_wR_factor_gt          0.1622
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.10745(4) 0.53458(3) 0.68375(3) 0.0389(2) Uani 1 1 d . . .
O1 O 0.1912(7) 0.7072(6) 0.8616(6) 0.0580(17) Uani 1 1 d . . .
O2 O 0.3407(7) 0.7062(7) 0.7694(7) 0.068(2) Uani 1 1 d . . .
O3 O 0.1551(6) 0.5189(6) 0.5028(6) 0.0532(16) Uani 1 1 d . . .
O4 O 0.1244(7) 0.4596(7) 0.3100(6) 0.0577(17) Uani 1 1 d . . .
O5 O 0.0079(9) 0.3155(6) 0.6021(6) 0.066(2) Uani 1 1 d . . .
O6 O 0.0738(8) 0.7170(6) 0.6021(6) 0.0614(17) Uani 1 1 d . . .
O7 O 0.021(3) 0.178(3) 1.149(2) 0.262(7) Uani 1 1 d DU . .
H7 H 0.0746 0.2428 1.1974 0.394 Uiso 1 1 calc R . .
O8 O 0.3025(14) 0.4503(14) 0.7631(12) 0.133(4) Uani 1 1 d DU . .
C1 C 0.3100(10) 0.7576(9) 0.8494(9) 0.053(2) Uani 1 1 d . . .
C2 C 0.4098(10) 0.8838(9) 0.9271(9) 0.057(2) Uani 1 1 d . . .
C3 C 0.3702(12) 0.9434(12) 1.0068(12) 0.083(4) Uani 1 1 d . . .
H3 H 0.2812 0.9050 1.0117 0.099 Uiso 1 1 calc R . .
C4 C 0.5414(13) 0.9387(12) 0.9174(13) 0.087(4) Uani 1 1 d . . .
C5 C 0.2031(9) 0.4905(9) 0.4201(9) 0.047(2) Uani 1 1 d . . .
C6 C 0.3554(9) 0.4959(9) 0.4605(8) 0.050(2) Uani 1 1 d . . .
C7 C 0.3981(10) 0.4225(12) 0.3902(10) 0.068(3) Uani 1 1 d . . .
C8 C 0.4548(10) 0.5697(12) 0.5672(10) 0.068(3) Uani 1 1 d . . .
H8 H 0.4253 0.6175 0.6146 0.081 Uiso 1 1 calc R . .
C9 C -0.0286(12) 0.2492(8) 0.5003(9) 0.054(2) Uani 1 1 d . . .
C10 C -0.0150(13) 0.1213(9) 0.4966(10) 0.062(3) Uani 1 1 d . . .
C11 C 0.0095(17) 0.0691(11) 0.6035(10) 0.086(4) Uani 1 1 d . . .
H11 H 0.0151 0.1157 0.6744 0.104 Uiso 1 1 calc R . .
C12 C -0.0257(18) 0.0493(10) 0.3909(10) 0.085(4) Uani 1 1 d . . .
C13 C -0.027(2) 0.421(3) 0.906(2) 0.170(4) Uani 1 1 d DU . .
H13 H -0.0941 0.4631 0.8812 0.204 Uiso 1 1 calc R . .
C14 C 0.071(4) 0.286(3) 0.988(3) 0.214(5) Uani 1 1 d DU . .
C15 C 0.132(3) 0.337(2) 0.907(3) 0.179(5) Uani 1 1 d DU . .
H15 H 0.2028 0.3145 0.8881 0.215 Uiso 1 1 calc R . .
C16 C 0.063(4) 0.168(3) 1.044(3) 0.224(6) Uani 1 1 d DU . .
H16A H -0.0064 0.0953 0.9825 0.269 Uiso 1 1 calc R . .
H16B H 0.1564 0.1550 1.0701 0.269 Uiso 1 1 calc R . .
C17 C 0.335(3) 0.362(2) 0.722(2) 0.182(6) Uani 1 1 d DU . .
C18 C 0.456(3) 0.233(2) 0.711(3) 0.195(6) Uani 1 1 d DU . .
H18A H 0.5400 0.2072 0.7440 0.292 Uiso 1 1 calc R . .
H18B H 0.4492 0.2559 0.6317 0.292 Uiso 1 1 calc R . .
H18C H 0.3717 0.1644 0.7013 0.292 Uiso 1 1 calc R . .
C19 C 0.624(2) 0.397(3) 0.837(3) 0.198(5) Uani 1 1 d DU . .
H19A H 0.6689 0.3368 0.8726 0.296 Uiso 1 1 calc R . .
H19B H 0.6557 0.4711 0.8973 0.296 Uiso 1 1 calc R . .
H19C H 0.6513 0.4192 0.7684 0.296 Uiso 1 1 calc R . .
N1 N 0.585(4) 0.876(4) 0.849(4) 0.164(13) Uani 0.50 1 d PU . .
N2 N 0.304(2) 0.341(4) 0.288(2) 0.158(17) Uani 0.50 1 d P . .
N3 N -0.034(3) 0.096(3) 0.277(3) 0.109(8) Uani 0.50 1 d PU . .
N4 N 0.0745(14) 0.4252(14) 0.8579(10) 0.116(3) Uani 1 1 d DU . .
N5 N -0.021(3) 0.347(3) 0.994(2) 0.205(5) Uani 1 1 d DU . .
N6 N 0.469(2) 0.341(2) 0.794(2) 0.188(5) Uani 1 1 d DU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O3 2.349(6) . ?
Eu01 O5 2.368(6) . ?
Eu01 O6 2.372(7) . ?
Eu01 O8 2.408(15) . ?
Eu01 O2 2.464(6) . ?
Eu01 O4 2.465(6) 2_566 ?
Eu01 O1 2.482(6) . ?
Eu01 N4 2.518(16) . ?
Eu01 O3 2.731(6) 2_566 ?
Eu01 C1 2.845(9) . ?
Eu01 C5 2.967(8) 2_566 ?
Eu01 Eu01 4.0257(10) 2_566 ?
O1 C1 1.269(11) . ?
O2 C1 1.250(11) . ?
O3 C5 1.296(10) . ?
O3 Eu01 2.731(6) 2_566 ?
O4 C5 1.234(11) . ?
O4 Eu01 2.465(6) 2_566 ?
O5 C9 1.242(11) . ?
O6 C9 1.257(12) 2_566 ?
O7 C16 1.453(5) . ?
O7 H7 0.8200 . ?
O8 C17 1.248(5) . ?
C1 C2 1.508(13) . ?
C2 C3 1.355(14) . ?
C2 C4 1.383(15) . ?
C3 C4 1.411(15) 2_677 ?
C3 H3 0.9300 . ?
C4 N1 1.31(4) . ?
C4 C3 1.411(15) 2_677 ?
C5 C6 1.477(12) . ?
C5 Eu01 2.967(8) 2_566 ?
C6 C8 1.351(13) . ?
C6 C7 1.391(13) . ?
C7 N2 1.34(2) . ?
C7 C8 1.416(13) 2_666 ?
C8 C7 1.416(13) 2_666 ?
C8 H8 0.9300 . ?
C9 O6 1.257(12) 2_566 ?
C9 C10 1.478(13) . ?
C10 C11 1.391(15) . ?
C10 C12 1.390(14) . ?
C11 C12 1.386(15) 2_556 ?
C11 H11 0.9300 . ?
C12 C11 1.386(15) 2_556 ?
C12 N3 1.45(3) . ?
C13 N4 1.353(5) . ?
C13 N5 1.354(5) . ?
C13 H13 0.9300 . ?
C14 N5 1.353(5) . ?
C14 C15 1.392(5) . ?
C14 C16 1.501(5) . ?
C15 N4 1.352(5) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N6 1.452(5) . ?
C18 N6 1.454(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 N6 1.453(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu01 O5 76.2(2) . . ?
O3 Eu01 O6 75.9(2) . . ?
O5 Eu01 O6 133.3(2) . . ?
O3 Eu01 O8 83.4(4) . . ?
O5 Eu01 O8 74.4(4) . . ?
O6 Eu01 O8 137.3(4) . . ?
O3 Eu01 O2 85.5(2) . . ?
O5 Eu01 O2 141.0(3) . . ?
O6 Eu01 O2 72.0(3) . . ?
O8 Eu01 O2 69.4(4) . . ?
O3 Eu01 O4 124.4(2) . 2_566 ?
O5 Eu01 O4 91.3(3) . 2_566 ?
O6 Eu01 O4 74.9(3) . 2_566 ?
O8 Eu01 O4 145.3(3) . 2_566 ?
O2 Eu01 O4 127.1(2) . 2_566 ?
O3 Eu01 O1 133.5(2) . . ?
O5 Eu01 O1 148.7(2) . . ?
O6 Eu01 O1 73.0(2) . . ?
O8 Eu01 O1 96.8(4) . . ?
O2 Eu01 O1 52.4(2) . . ?
O4 Eu01 O1 79.0(2) 2_566 . ?
O3 Eu01 N4 145.5(3) . . ?
O5 Eu01 N4 73.9(3) . . ?
O6 Eu01 N4 138.2(3) . . ?
O8 Eu01 N4 72.3(4) . . ?
O2 Eu01 N4 107.4(3) . . ?
O4 Eu01 N4 73.4(3) 2_566 . ?
O1 Eu01 N4 74.8(3) . . ?
O3 Eu01 O3 75.4(2) . 2_566 ?
O5 Eu01 O3 69.2(3) . 2_566 ?
O6 Eu01 O3 68.0(2) . 2_566 ?
O8 Eu01 O3 141.2(4) . 2_566 ?
O2 Eu01 O3 138.7(3) . 2_566 ?
O4 Eu01 O3 49.91(19) 2_566 2_566 ?
O1 Eu01 O3 121.3(2) . 2_566 ?
N4 Eu01 O3 108.9(3) . 2_566 ?
O3 Eu01 C1 109.3(3) . . ?
O5 Eu01 C1 156.2(3) . . ?
O6 Eu01 C1 69.5(3) . . ?
O8 Eu01 C1 83.1(4) . . ?
O2 Eu01 C1 26.0(2) . . ?
O4 Eu01 C1 103.2(2) 2_566 . ?
O1 Eu01 C1 26.5(2) . . ?
N4 Eu01 C1 92.0(3) . . ?
O3 Eu01 C1 134.4(2) 2_566 . ?
O3 Eu01 C5 100.7(2) . 2_566 ?
O5 Eu01 C5 80.2(3) . 2_566 ?
O6 Eu01 C5 69.2(3) . 2_566 ?
O8 Eu01 C5 152.6(4) . 2_566 ?
O2 Eu01 C5 137.7(2) . 2_566 ?
O4 Eu01 C5 24.1(2) 2_566 2_566 ?
O1 Eu01 C5 99.5(2) . 2_566 ?
N4 Eu01 C5 90.9(3) . 2_566 ?
O3 Eu01 C5 25.9(2) 2_566 2_566 ?
C1 Eu01 C5 119.9(3) . 2_566 ?
O3 Eu01 Eu01 41.03(15) . 2_566 ?
O5 Eu01 Eu01 67.69(18) . 2_566 ?
O6 Eu01 Eu01 66.64(16) . 2_566 ?
O8 Eu01 Eu01 117.5(3) . 2_566 ?
O2 Eu01 Eu01 117.7(2) . 2_566 ?
O4 Eu01 Eu01 83.82(15) 2_566 2_566 ?
O1 Eu01 Eu01 138.98(18) . 2_566 ?
N4 Eu01 Eu01 134.5(3) . 2_566 ?
O3 Eu01 Eu01 34.37(12) 2_566 2_566 ?
C1 Eu01 Eu01 131.9(2) . 2_566 ?
C5 Eu01 Eu01 59.88(18) 2_566 2_566 ?
C1 O1 Eu01 92.9(5) . . ?
C1 O2 Eu01 94.3(5) . . ?
C5 O3 Eu01 163.2(6) . . ?
C5 O3 Eu01 87.3(5) . 2_566 ?
Eu01 O3 Eu01 104.6(2) . 2_566 ?
C5 O4 Eu01 101.4(5) . 2_566 ?
C9 O5 Eu01 135.8(6) . . ?
C9 O6 Eu01 139.7(6) 2_566 . ?
C16 O7 H7 109.5 . . ?
C17 O8 Eu01 134.1(14) . . ?
O2 C1 O1 120.3(8) . . ?
O2 C1 C2 120.1(8) . . ?
O1 C1 C2 119.5(8) . . ?
O2 C1 Eu01 59.7(5) . . ?
O1 C1 Eu01 60.6(4) . . ?
C2 C1 Eu01 173.7(8) . . ?
C3 C2 C4 120.0(9) . . ?
C3 C2 C1 119.7(9) . . ?
C4 C2 C1 120.3(9) . . ?
C2 C3 C4 122.6(10) . 2_677 ?
C2 C3 H3 118.7 . . ?
C4 C3 H3 118.7 2_677 . ?
N1 C4 C2 120(2) . . ?
N1 C4 C3 123(2) . 2_677 ?
C2 C4 C3 117.3(10) . 2_677 ?
O4 C5 O3 121.3(7) . . ?
O4 C5 C6 120.2(8) . . ?
O3 C5 C6 118.5(8) . . ?
O4 C5 Eu01 54.5(4) . 2_566 ?
O3 C5 Eu01 66.8(4) . 2_566 ?
C6 C5 Eu01 174.5(6) . 2_566 ?
C8 C6 C7 118.9(8) . . ?
C8 C6 C5 120.8(8) . . ?
C7 C6 C5 120.2(8) . . ?
N2 C7 C6 122.3(11) . . ?
N2 C7 C8 119.3(12) . 2_666 ?
C6 C7 C8 118.3(9) . 2_666 ?
C6 C8 C7 122.8(9) . 2_666 ?
C6 C8 H8 118.6 . . ?
C7 C8 H8 118.6 2_666 . ?
O5 C9 O6 125.2(9) . 2_566 ?
O5 C9 C10 118.8(9) . . ?
O6 C9 C10 116.0(8) 2_566 . ?
C11 C10 C12 117.7(9) . . ?
C11 C10 C9 119.0(9) . . ?
C12 C10 C9 123.3(10) . . ?
C10 C11 C12 123.0(10) . 2_556 ?
C10 C11 H11 118.5 . . ?
C12 C11 H11 118.5 2_556 . ?
C11 C12 C10 119.3(10) 2_556 . ?
C11 C12 N3 116.2(14) 2_556 . ?
C10 C12 N3 123.9(14) . . ?
N4 C13 N5 113(2) . . ?
N4 C13 H13 123.6 . . ?
N5 C13 H13 123.6 . . ?
N5 C14 C15 107(2) . . ?
N5 C14 C16 117(3) . . ?
C15 C14 C16 134(2) . . ?
N4 C15 C14 111(2) . . ?
N4 C15 H15 124.7 . . ?
C14 C15 H15 124.7 . . ?
O7 C16 C14 110(2) . . ?
O7 C16 H16A 109.6 . . ?
C14 C16 H16A 109.6 . . ?
O7 C16 H16B 109.6 . . ?
C14 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
O8 C17 N6 120(2) . . ?
N6 C18 H18A 109.5 . . ?
N6 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N6 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N6 C19 H19A 109.5 . . ?
N6 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N6 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 N4 C13 103.4(19) . . ?
C15 N4 Eu01 127.9(14) . . ?
C13 N4 Eu01 127.4(14) . . ?
C14 N5 C13 106(2) . . ?
C17 N6 C19 142(3) . . ?
C17 N6 C18 98.6(18) . . ?
C19 N6 C18 96(2) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.735
_refine_diff_density_min         -1.585
_refine_diff_density_rms         0.193

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 1.000 0.500 212 25 ' '
2 0.257 0.134 0.859 9 1 ' '
3 0.439 0.366 0.043 15 2 ' '
4 0.562 0.635 0.957 15 1 ' '
5 0.743 0.867 0.141 9 1 ' '
_database_code_depnum_ccdc_archive 'CCDC 941889'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-Im

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H16 Eu2 N11 O12'
_chemical_formula_sum            'C36 H16 Eu2 N11 O12'
_chemical_formula_weight         1098.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3405(5)
_cell_length_b                   11.1627(6)
_cell_length_c                   11.7693(6)
_cell_angle_alpha                89.563(4)
_cell_angle_beta                 69.495(5)
_cell_angle_gamma                69.743(5)
_cell_volume                     1183.70(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2991
_cell_measurement_theta_min      3.4020
_cell_measurement_theta_max      29.0391

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             531
_exptl_absorpt_coefficient_mu    2.689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.84870
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6854
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.41
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4152
_reflns_number_gt                3686
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0794P)²+0.9385P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4152
_refine_ls_number_parameters     298
_refine_ls_number_restraints     93
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0481
_refine_ls_wR_factor_ref         0.1379
_refine_ls_wR_factor_gt          0.1324
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_restrained_S_all      1.194
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3164(10) 0.7454(8) 0.6508(8) 0.044(2) Uani 1 1 d . . .
C2 C 0.4104(9) 0.6192(8) 0.5734(8) 0.048(2) Uani 1 1 d . . .
C3 C 0.3551(12) 0.5544(10) 0.5179(11) 0.075(3) Uani 1 1 d . . .
H3 H 0.2552 0.5904 0.5287 0.090 Uiso 1 1 calc R . .
C4 C 0.5585(14) 0.5638(11) 0.5547(12) 0.085(4) Uani 1 1 d . . .
C5 C -0.0393(10) 1.2549(8) 1.0020(8) 0.045(2) Uani 1 1 d . . .
C6 C -0.0204(10) 1.3823(7) 1.0013(7) 0.044(2) Uani 1 1 d . . .
C7 C -0.0259(12) 1.4422(8) 1.1072(8) 0.051(2) Uani 1 1 d . . .
C8 C 0.0023(12) 1.4421(8) 0.8955(8) 0.055(2) Uani 1 1 d . . .
C9 C -0.2038(8) 0.9976(8) 0.9205(7) 0.0367(18) Uani 1 1 d . . .
C10 C -0.3556(8) 0.9989(8) 0.9616(7) 0.0374(18) Uani 1 1 d . . .
C11 C -0.4658(9) 1.0785(9) 1.0631(8) 0.047(2) Uani 1 1 d . . .
H11 H -0.4426 1.1331 1.1053 0.057 Uiso 1 1 calc R . .
C12 C -0.3894(9) 0.9183(10) 0.8937(8) 0.048(2) Uani 1 1 d . . .
C13 C -0.0305(13) 1.1070(13) 0.5955(11) 0.095(4) Uani 1 1 d DU . .
H13 H -0.0985 1.0663 0.6229 0.114 Uiso 1 1 calc R . .
C14 C -0.0261(14) 1.1809(11) 0.5039(10) 0.085(3) Uani 1 1 d DU . .
H14 H -0.0862 1.1981 0.4580 0.101 Uiso 1 1 calc R . .
C15 C 0.1344(17) 1.1793(14) 0.5822(13) 0.111(4) Uani 1 1 d DU . .
H15 H 0.2045 1.2020 0.5997 0.133 Uiso 1 1 calc R . .
C16 C 0.3304(13) 1.1543(10) 0.7927(11) 0.099(4) Uani 1 1 d DU . .
H16 H 0.2600 1.2046 0.8654 0.119 Uiso 1 1 calc R . .
C17 C 0.4516(12) 1.0118(15) 0.6513(14) 0.139(5) Uani 1 1 d DU . .
H17 H 0.4830 0.9357 0.6005 0.167 Uiso 1 1 calc R . .
C18 C 0.5428(17) 1.0776(16) 0.6365(15) 0.152(6) Uani 1 1 d DU . .
H18 H 0.6370 1.0617 0.5782 0.182 Uiso 1 1 calc R . .
N1 N 0.628(3) 0.640(3) 0.598(3) 0.132(10) Uani 0.50 1 d PU . .
N2 N -0.034(3) 1.393(2) 1.216(2) 0.036(6) Uani 0.25 1 d PU . .
N2A N -0.005(4) 1.392(4) 0.790(3) 0.071(10) Uani 0.25 1 d PU . .
N3 N -0.288(2) 0.827(2) 0.8008(18) 0.074(5) Uani 0.50 1 d PU . .
N4 N 0.0727(9) 1.0977(7) 0.6435(7) 0.054(2) Uani 1 1 d D . .
N5 N 0.0840(15) 1.2247(15) 0.4927(13) 0.128(4) Uani 1 1 d DU . .
N6 N 0.3147(10) 1.0564(7) 0.7399(7) 0.062(2) Uani 1 1 d DU . .
N7 N 0.4580(13) 1.1730(12) 0.7305(12) 0.103(3) Uani 1 1 d DU . .
O1 O 0.1908(7) 0.8078(6) 0.6405(5) 0.0506(15) Uani 1 1 d . . .
O2 O 0.3553(6) 0.7911(6) 0.7226(6) 0.0550(17) Uani 1 1 d . . .
O3 O 0.1570(5) 0.9770(5) 0.9991(5) 0.0367(12) Uani 1 1 d . . .
O4 O -0.1215(6) 0.9723(6) 0.8087(5) 0.0424(13) Uani 1 1 d . . .
O5 O 0.0867(7) 0.7824(5) 0.8973(5) 0.0456(14) Uani 1 1 d . . .
O6 O -0.0008(7) 1.1930(5) 0.8983(5) 0.0474(15) Uani 1 1 d . . .
Eu01 Eu 0.11158(3) 0.97276(3) 0.81666(3) 0.02766(17) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.234(11) . ?
C1 O1 1.292(11) . ?
C1 C2 1.487(12) . ?
C1 Eu01 2.863(8) . ?
C2 C3 1.354(13) . ?
C2 C4 1.374(14) . ?
C3 C4 1.391(14) 2_666 ?
C3 H3 0.9300 . ?
C4 C3 1.391(14) 2_666 ?
C4 N1 1.48(3) . ?
C5 O5 1.244(10) 2_577 ?
C5 O6 1.268(10) . ?
C5 C6 1.500(11) . ?
C6 C8 1.393(12) . ?
C6 C7 1.394(12) . ?
C7 N2 1.37(3) . ?
C7 C8 1.393(12) 2_587 ?
C8 N2A 1.40(4) . ?
C8 C7 1.393(12) 2_587 ?
C9 O4 1.260(9) . ?
C9 O3 1.277(9) 2_577 ?
C9 C10 1.466(11) . ?
C9 Eu01 2.965(8) . ?
C10 C11 1.370(11) . ?
C10 C12 1.413(11) . ?
C11 C12 1.390(11) 2_477 ?
C11 H11 0.9300 . ?
C12 N3 1.35(2) . ?
C12 C11 1.390(11) 2_477 ?
C13 N4 1.347(5) . ?
C13 C14 1.351(5) . ?
C13 H13 0.9300 . ?
C14 N5 1.353(5) . ?
C14 H14 0.9300 . ?
C15 N4 1.352(5) . ?
C15 N5 1.353(5) . ?
C15 H15 0.9300 . ?
C16 N6 1.347(5) . ?
C16 N7 1.353(5) . ?
C16 C17 2.018(13) . ?
C16 H16 0.9300 . ?
C17 N6 1.3503(11) . ?
C17 C18 1.3504(11) . ?
C17 H17 0.9300 . ?
C18 N7 1.348(5) . ?
C18 H18 0.9300 . ?
N4 Eu01 2.531(7) . ?
N6 Eu01 2.473(7) . ?
O1 Eu01 2.487(6) . ?
O2 Eu01 2.496(6) . ?
O3 C9 1.277(9) 2_577 ?
O3 Eu01 2.358(5) . ?
O3 Eu01 2.729(5) 2_577 ?
O4 Eu01 2.446(5) . ?
O5 C5 1.244(10) 2_577 ?
O5 Eu01 2.378(5) . ?
O6 Eu01 2.365(5) . ?
Eu01 O3 2.729(5) 2_577 ?
Eu01 Eu01 4.0509(7) 2_577 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 C1 O1 120.1(8) . . ?
O2 C1 C2 122.1(8) . . ?
O1 C1 C2 117.8(8) . . ?
O2 C1 Eu01 60.4(4) . . ?
O1 C1 Eu01 60.2(4) . . ?
C2 C1 Eu01 172.9(6) . . ?
C3 C2 C4 117.2(9) . . ?
C3 C2 C1 122.0(8) . . ?
C4 C2 C1 120.8(9) . . ?
C2 C3 C4 122.7(10) . 2_666 ?
C2 C3 H3 118.6 . . ?
C4 C3 H3 118.6 2_666 . ?
C2 C4 C3 120.1(10) . 2_666 ?
C2 C4 N1 118.8(15) . . ?
C3 C4 N1 120.5(16) 2_666 . ?
O5 C5 O6 125.8(8) 2_577 . ?
O5 C5 C6 117.9(7) 2_577 . ?
O6 C5 C6 116.3(8) . . ?
C8 C6 C7 119.3(7) . . ?
C8 C6 C5 120.7(8) . . ?
C7 C6 C5 120.0(8) . . ?
N2 C7 C8 112.7(13) . 2_587 ?
N2 C7 C6 127.1(12) . . ?
C8 C7 C6 119.6(8) 2_587 . ?
C6 C8 N2A 121.9(17) . . ?
C6 C8 C7 121.0(8) . 2_587 ?
N2A C8 C7 117.1(17) . 2_587 ?
O4 C9 O3 120.7(7) . 2_577 ?
O4 C9 C10 121.1(7) . . ?
O3 C9 C10 118.2(7) 2_577 . ?
O4 C9 Eu01 53.9(4) . . ?
O3 C9 Eu01 66.9(4) 2_577 . ?
C10 C9 Eu01 173.9(5) . . ?
C11 C10 C12 119.3(7) . . ?
C11 C10 C9 121.4(7) . . ?
C12 C10 C9 119.3(7) . . ?
C10 C11 C12 123.3(8) . 2_477 ?
C10 C11 H11 118.4 . . ?
C12 C11 H11 118.4 2_477 . ?
N3 C12 C11 117.7(11) . 2_477 ?
N3 C12 C10 124.3(10) . . ?
C11 C12 C10 117.3(7) 2_477 . ?
N4 C13 C14 113.7(10) . . ?
N4 C13 H13 123.1 . . ?
C14 C13 H13 123.1 . . ?
C13 C14 N5 105.6(11) . . ?
C13 C14 H14 127.2 . . ?
N5 C14 H14 127.2 . . ?
N4 C15 N5 113.2(11) . . ?
N4 C15 H15 123.4 . . ?
N5 C15 H15 123.4 . . ?
N6 C16 N7 113.9(9) . . ?
N6 C16 C17 41.6(4) . . ?
N7 C16 C17 72.5(8) . . ?
N6 C16 H16 123.1 . . ?
N7 C16 H16 123.1 . . ?
C17 C16 H16 163.8 . . ?
N6 C17 C18 120.0(11) . . ?
N6 C17 C16 41.5(4) . . ?
C18 C17 C16 78.7(8) . . ?
N6 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 160.8 . . ?
N7 C18 C17 99.8(11) . . ?
N7 C18 H18 130.1 . . ?
C17 C18 H18 130.1 . . ?
C13 N4 C15 101.2(9) . . ?
C13 N4 Eu01 126.5(6) . . ?
C15 N4 Eu01 132.0(7) . . ?
C14 N5 C15 105.8(11) . . ?
C17 N6 C16 96.9(8) . . ?
C17 N6 Eu01 134.2(8) . . ?
C16 N6 Eu01 128.0(7) . . ?
C18 N7 C16 108.9(11) . . ?
C1 O1 Eu01 93.1(5) . . ?
C1 O2 Eu01 94.1(5) . . ?
C9 O3 Eu01 161.3(5) 2_577 . ?
C9 O3 Eu01 87.6(4) 2_577 2_577 ?
Eu01 O3 Eu01 105.33(17) . 2_577 ?
C9 O4 Eu01 101.5(5) . . ?
C5 O5 Eu01 139.3(5) 2_577 . ?
C5 O6 Eu01 134.9(6) . . ?
O3 Eu01 O6 76.1(2) . . ?
O3 Eu01 O5 75.59(19) . . ?
O6 Eu01 O5 133.16(19) . . ?
O3 Eu01 O4 123.72(17) . . ?
O6 Eu01 O4 91.2(2) . . ?
O5 Eu01 O4 74.8(2) . . ?
O3 Eu01 N6 82.9(2) . . ?
O6 Eu01 N6 75.5(2) . . ?
O5 Eu01 N6 135.7(2) . . ?
O4 Eu01 N6 147.0(2) . . ?
O3 Eu01 O1 135.70(19) . . ?
O6 Eu01 O1 147.6(2) . . ?
O5 Eu01 O1 72.5(2) . . ?
O4 Eu01 O1 75.8(2) . . ?
N6 Eu01 O1 99.2(2) . . ?
O3 Eu01 O2 89.0(2) . . ?
O6 Eu01 O2 143.6(2) . . ?
O5 Eu01 O2 71.6(2) . . ?
O4 Eu01 O2 124.1(2) . . ?
N6 Eu01 O2 69.8(2) . . ?
O1 Eu01 O2 52.1(2) . . ?
O3 Eu01 N4 145.2(2) . . ?
O6 Eu01 N4 73.5(2) . . ?
O5 Eu01 N4 138.8(2) . . ?
O4 Eu01 N4 73.8(2) . . ?
N6 Eu01 N4 73.4(3) . . ?
O1 Eu01 N4 74.4(2) . . ?
O2 Eu01 N4 105.7(2) . . ?
O3 Eu01 O3 74.67(17) . 2_577 ?
O6 Eu01 O3 68.86(19) . 2_577 ?
O5 Eu01 O3 68.09(18) . 2_577 ?
O4 Eu01 O3 50.07(16) . 2_577 ?
N6 Eu01 O3 141.4(2) . 2_577 ?
O1 Eu01 O3 118.83(18) . 2_577 ?
O2 Eu01 O3 139.0(2) . 2_577 ?
N4 Eu01 O3 109.0(2) . 2_577 ?
O3 Eu01 C1 111.4(2) . . ?
O6 Eu01 C1 158.5(2) . . ?
O5 Eu01 C1 67.9(2) . . ?
O4 Eu01 C1 100.0(2) . . ?
N6 Eu01 C1 85.3(3) . . ?
O1 Eu01 C1 26.8(2) . . ?
O2 Eu01 C1 25.5(2) . . ?
N4 Eu01 C1 92.0(3) . . ?
O3 Eu01 C1 132.0(2) 2_577 . ?
O3 Eu01 C9 99.5(2) . . ?
O6 Eu01 C9 80.3(2) . . ?
O5 Eu01 C9 68.6(2) . . ?
O4 Eu01 C9 24.62(19) . . ?
N6 Eu01 C9 154.4(3) . . ?
O1 Eu01 C9 96.7(2) . . ?
O2 Eu01 C9 135.5(2) . . ?
N4 Eu01 C9 91.8(2) . . ?
O3 Eu01 C9 25.48(18) 2_577 . ?
C1 Eu01 C9 116.7(2) . . ?
O3 Eu01 Eu01 40.53(12) . 2_577 ?
O6 Eu01 Eu01 67.50(14) . 2_577 ?
O5 Eu01 Eu01 66.66(13) . 2_577 ?
O4 Eu01 Eu01 83.72(13) . 2_577 ?
N6 Eu01 Eu01 117.03(18) . 2_577 ?
O1 Eu01 Eu01 137.85(15) . 2_577 ?
O2 Eu01 Eu01 119.91(16) . 2_577 ?
N4 Eu01 Eu01 134.17(19) . 2_577 ?
O3 Eu01 Eu01 34.15(11) 2_577 2_577 ?
C1 Eu01 Eu01 131.57(17) . 2_577 ?
C9 Eu01 Eu01 59.17(15) . 2_577 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.432
_refine_diff_density_min         -1.553
_refine_diff_density_rms         0.172

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.099 0.500 0.401 287 35 ' '
_database_code_depnum_ccdc_archive 'CCDC 941890'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-Ima

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H10 Eu2 N7 O14'
_chemical_formula_sum            'C32 H10 Eu2 N7 O14'
_chemical_formula_weight         1020.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3980(9)
_cell_length_b                   11.2742(8)
_cell_length_c                   11.4677(12)
_cell_angle_alpha                95.510(7)
_cell_angle_beta                 109.490(9)
_cell_angle_gamma                104.801(7)
_cell_volume                     1200.8(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3335
_cell_measurement_theta_min      3.3065
_cell_measurement_theta_max      29.3472

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             489
_exptl_absorpt_coefficient_mu    2.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.53368
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7742
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.31
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4219
_reflns_number_gt                3658
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0966P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4219
_refine_ls_number_parameters     262
_refine_ls_number_restraints     65
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1481
_refine_ls_wR_factor_gt          0.1423
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.89639(3) 0.46125(3) 0.81438(3) 0.04564(17) Uani 1 1 d . . .
O1 O 0.8044(7) 0.2908(5) 0.6278(5) 0.0744(16) Uani 1 1 d . . .
O2 O 0.6626(6) 0.2978(6) 0.7309(6) 0.0815(18) Uani 1 1 d . . .
O3 O 1.1244(6) 0.4610(6) 0.8021(5) 0.0662(15) Uani 1 1 d . . .
O4 O 1.1538(5) 0.5202(5) 0.9999(5) 0.0582(13) Uani 1 1 d . . .
O5 O 0.9756(8) 0.6781(5) 0.8962(6) 0.0787(18) Uani 1 1 d . . .
O6 O 0.9339(7) 0.2818(5) 0.8946(5) 0.0655(15) Uani 1 1 d . . .
O7 O 0.6954(11) 0.5519(10) 0.6967(9) 0.131(2) Uani 1 1 d U . .
N1 N 0.407(3) 0.145(2) 0.654(2) 0.141(8) Uani 0.50 1 d PDU . .
N2 N 1.323(4) 0.408(3) 0.7428(13) 0.185(13) Uani 0.50 1 d PDU . .
N3 N 1.040(3) 0.907(3) 1.229(3) 0.164(10) Uani 0.50 1 d PU . .
N4 N 0.9366(10) 0.5717(7) 0.6433(7) 0.079(2) Uani 1 1 d . . .
N5 N 1.0189(15) 0.6838(13) 0.5138(12) 0.134(2) Uani 1 1 d U . .
C1 C 0.6900(8) 0.2416(7) 0.6457(7) 0.0586(19) Uani 1 1 d . . .
C2 C 0.5908(10) 0.1164(8) 0.5705(8) 0.071(2) Uani 1 1 d . . .
C3 C 0.6315(12) 0.0446(10) 0.4934(11) 0.108(4) Uani 1 1 d . . .
H3 H 0.7222 0.0744 0.4905 0.129 Uiso 1 1 calc R . .
C4 C 0.4602(12) 0.0719(10) 0.5805(11) 0.105(4) Uani 1 1 d D . .
C5 C 1.2042(8) 0.4891(7) 0.9175(8) 0.0550(18) Uani 1 1 d . . .
C6 C 1.3574(8) 0.4962(8) 0.9591(7) 0.0571(18) Uani 1 1 d . . .
C7 C 1.4107(11) 0.4536(16) 0.8756(9) 0.113(5) Uani 1 1 d D . .
C8 C 1.4434(11) 0.5407(14) 1.0798(10) 0.116(5) Uani 1 1 d . . .
H8 H 1.4060 0.5689 1.1365 0.139 Uiso 1 1 calc R . .
C9 C 1.0188(11) 0.7474(7) 1.0027(8) 0.067(2) Uani 1 1 d . . .
C10 C 1.0078(10) 0.8808(7) 1.0015(7) 0.068(2) Uani 1 1 d . . .
C11 C 0.9774(18) 0.9244(9) 0.8933(9) 0.122(5) Uani 1 1 d . . .
H11 H 0.9644 0.8731 0.8191 0.147 Uiso 1 1 calc R . .
C12 C 1.0349(16) 0.9579(9) 1.1104(9) 0.107(4) Uani 1 1 d . . .
C13 C 0.841(2) 0.6303(18) 0.5799(17) 0.134(3) Uani 1 1 d U . .
C14 C 0.8817(18) 0.6993(16) 0.4945(15) 0.137(2) Uani 1 1 d U . .
H14 H 0.8324 0.7429 0.4404 0.164 Uiso 1 1 calc R . .
C15 C 1.0492(18) 0.6094(15) 0.6008(15) 0.129(3) Uani 1 1 d U . .
H15 H 1.1330 0.5871 0.6278 0.155 Uiso 1 1 calc R . .
C16 C 0.7139(19) 0.6130(16) 0.6057(16) 0.137(3) Uani 1 1 d U . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O5 2.356(5) . ?
Eu01 O4 2.359(5) 2_767 ?
Eu01 O6 2.369(5) . ?
Eu01 O3 2.422(5) . ?
Eu01 O2 2.458(6) . ?
Eu01 O1 2.468(5) . ?
Eu01 N4 2.515(8) . ?
Eu01 O7 2.590(10) . ?
Eu01 O4 2.675(5) . ?
Eu01 C1 2.842(7) . ?
Eu01 C5 2.938(7) . ?
Eu01 Eu01 3.9665(8) 2_767 ?
O1 C1 1.269(9) . ?
O2 C1 1.264(9) . ?
O3 C5 1.262(9) . ?
O4 C5 1.286(8) . ?
O4 Eu01 2.359(5) 2_767 ?
O5 C9 1.255(10) . ?
O6 C9 1.228(10) 2_767 ?
O7 C16 1.344(17) . ?
N1 C4 1.452(5) . ?
N2 C7 1.449(5) . ?
N3 C12 1.52(3) . ?
N4 C13 1.377(19) . ?
N4 C15 1.399(16) . ?
N5 C15 1.373(18) . ?
N5 C14 1.428(19) . ?
C1 C2 1.493(11) . ?
C2 C4 1.370(13) . ?
C2 C3 1.379(13) . ?
C3 C4 1.400(13) 2_656 ?
C3 H3 0.9300 . ?
C4 C3 1.400(13) 2_656 ?
C5 C6 1.480(10) . ?
C6 C8 1.334(12) . ?
C6 C7 1.363(12) . ?
C7 C8 1.412(14) 2_867 ?
C8 C7 1.412(14) 2_867 ?
C8 H8 0.9300 . ?
C9 O6 1.228(10) 2_767 ?
C9 C10 1.539(10) . ?
C10 C11 1.347(12) . ?
C10 C12 1.351(12) . ?
C11 C12 1.368(13) 2_777 ?
C11 H11 0.9300 . ?
C12 C11 1.368(13) 2_777 ?
C13 C14 1.41(2) . ?
C13 C16 1.42(2) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Eu01 O4 75.2(2) . 2_767 ?
O5 Eu01 O6 135.6(2) . . ?
O4 Eu01 O6 76.36(18) 2_767 . ?
O5 Eu01 O3 93.4(2) . . ?
O4 Eu01 O3 126.17(18) 2_767 . ?
O6 Eu01 O3 77.0(2) . . ?
O5 Eu01 O2 134.9(2) . . ?
O4 Eu01 O2 83.2(2) 2_767 . ?
O6 Eu01 O2 73.3(2) . . ?
O3 Eu01 O2 130.8(2) . . ?
O5 Eu01 O1 148.0(2) . . ?
O4 Eu01 O1 132.35(19) 2_767 . ?
O6 Eu01 O1 74.4(2) . . ?
O3 Eu01 O1 82.1(2) . . ?
O2 Eu01 O1 52.7(2) . . ?
O5 Eu01 N4 72.5(2) . . ?
O4 Eu01 N4 144.8(2) 2_767 . ?
O6 Eu01 N4 138.1(2) . . ?
O3 Eu01 N4 69.9(2) . . ?
O2 Eu01 N4 110.4(3) . . ?
O1 Eu01 N4 76.2(2) . . ?
O5 Eu01 O7 72.3(3) . . ?
O4 Eu01 O7 92.4(3) 2_767 . ?
O6 Eu01 O7 142.1(3) . . ?
O3 Eu01 O7 134.6(3) . . ?
O2 Eu01 O7 69.5(3) . . ?
O1 Eu01 O7 88.4(3) . . ?
N4 Eu01 O7 64.8(3) . . ?
O5 Eu01 O4 71.2(2) . . ?
O4 Eu01 O4 76.16(17) 2_767 . ?
O6 Eu01 O4 69.38(18) . . ?
O3 Eu01 O4 50.79(16) . . ?
O2 Eu01 O4 140.6(2) . . ?
O1 Eu01 O4 125.09(19) . . ?
N4 Eu01 O4 105.8(2) . . ?
O7 Eu01 O4 143.4(3) . . ?
O5 Eu01 C1 151.7(2) . . ?
O4 Eu01 C1 107.4(2) 2_767 . ?
O6 Eu01 C1 70.2(2) . . ?
O3 Eu01 C1 106.1(2) . . ?
O2 Eu01 C1 26.3(2) . . ?
O1 Eu01 C1 26.5(2) . . ?
N4 Eu01 C1 94.9(3) . . ?
O7 Eu01 C1 79.4(3) . . ?
O4 Eu01 C1 137.1(2) . . ?
O5 Eu01 C5 83.2(2) . . ?
O4 Eu01 C5 101.4(2) 2_767 . ?
O6 Eu01 C5 69.9(2) . . ?
O3 Eu01 C5 24.93(19) . . ?
O2 Eu01 C5 140.5(2) . . ?
O1 Eu01 C5 102.8(2) . . ?
N4 Eu01 C5 88.4(3) . . ?
O7 Eu01 C5 147.8(3) . . ?
O4 Eu01 C5 25.94(18) . . ?
C1 Eu01 C5 122.5(2) . . ?
O5 Eu01 Eu01 68.31(15) . 2_767 ?
O4 Eu01 Eu01 40.90(13) 2_767 2_767 ?
O6 Eu01 Eu01 67.81(13) . 2_767 ?
O3 Eu01 Eu01 85.68(13) . 2_767 ?
O2 Eu01 Eu01 116.78(17) . 2_767 ?
O1 Eu01 Eu01 142.01(16) . 2_767 ?
N4 Eu01 Eu01 132.0(2) . 2_767 ?
O7 Eu01 Eu01 124.5(2) . 2_767 ?
O4 Eu01 Eu01 35.26(10) . 2_767 ?
C1 Eu01 Eu01 132.17(17) . 2_767 ?
C5 Eu01 Eu01 60.76(15) . 2_767 ?
C1 O1 Eu01 93.4(4) . . ?
C1 O2 Eu01 94.0(5) . . ?
C5 O3 Eu01 101.1(4) . . ?
C5 O4 Eu01 161.9(5) . 2_767 ?
C5 O4 Eu01 88.5(4) . . ?
Eu01 O4 Eu01 103.84(17) 2_767 . ?
C9 O5 Eu01 136.6(5) . . ?
C9 O6 Eu01 138.5(5) 2_767 . ?
C16 O7 Eu01 117.0(9) . . ?
C13 N4 C15 103.1(11) . . ?
C13 N4 Eu01 120.2(9) . . ?
C15 N4 Eu01 136.0(8) . . ?
C15 N5 C14 110.1(14) . . ?
O2 C1 O1 119.4(7) . . ?
O2 C1 C2 119.8(7) . . ?
O1 C1 C2 120.7(7) . . ?
O2 C1 Eu01 59.6(4) . . ?
O1 C1 Eu01 60.1(4) . . ?
C2 C1 Eu01 171.9(7) . . ?
C4 C2 C3 120.1(8) . . ?
C4 C2 C1 119.6(8) . . ?
C3 C2 C1 120.2(8) . . ?
C2 C3 C4 121.7(10) . 2_656 ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 2_656 . ?
C2 C4 C3 118.1(9) . 2_656 ?
C2 C4 N1 123.2(14) . . ?
C3 C4 N1 118.4(14) 2_656 . ?
O3 C5 O4 119.2(7) . . ?
O3 C5 C6 121.4(7) . . ?
O4 C5 C6 119.2(7) . . ?
O3 C5 Eu01 54.0(4) . . ?
O4 C5 Eu01 65.5(4) . . ?
C6 C5 Eu01 175.1(5) . . ?
C8 C6 C7 119.5(8) . . ?
C8 C6 C5 120.1(7) . . ?
C7 C6 C5 120.4(8) . . ?
C6 C7 C8 118.5(9) . 2_867 ?
C6 C7 N2 121.4(18) . . ?
C8 C7 N2 120.0(19) 2_867 . ?
C6 C8 C7 122.0(9) . 2_867 ?
C6 C8 H8 119.0 . . ?
C7 C8 H8 119.0 2_867 . ?
O6 C9 O5 126.5(7) 2_767 . ?
O6 C9 C10 118.0(7) 2_767 . ?
O5 C9 C10 115.5(7) . . ?
C11 C10 C12 119.0(8) . . ?
C11 C10 C9 120.7(7) . . ?
C12 C10 C9 120.2(8) . . ?
C10 C11 C12 121.8(8) . 2_777 ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 2_777 . ?
C10 C12 C11 119.1(9) . 2_777 ?
C10 C12 N3 120.7(14) . . ?
C11 C12 N3 118.3(14) 2_777 . ?
N4 C13 C14 115.1(15) . . ?
N4 C13 C16 117.1(15) . . ?
C14 C13 C16 127.9(17) . . ?
C13 C14 N5 101.1(14) . . ?
C13 C14 H14 129.5 . . ?
N5 C14 H14 129.5 . . ?
N5 C15 N4 110.6(14) . . ?
N5 C15 H15 124.7 . . ?
N4 C15 H15 124.7 . . ?
O7 C16 C13 120.7(15) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.534
_refine_diff_density_min         -1.622
_refine_diff_density_rms         0.151

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.160 0.000 0.340 428 62 ' '
_database_code_depnum_ccdc_archive 'CCDC 941891'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-Im-atzH

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H14 Eu2 N15 O12'
_chemical_formula_sum            'C34 H14 Eu2 N15 O12'
_chemical_formula_weight         1128.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4200(8)
_cell_length_b                   11.1657(8)
_cell_length_c                   11.9254(8)
_cell_angle_alpha                90.062(6)
_cell_angle_beta                 110.667(7)
_cell_angle_gamma                109.830(7)
_cell_volume                     1209.66(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2487
_cell_measurement_theta_min      3.3380
_cell_measurement_theta_max      29.2915

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             545
_exptl_absorpt_coefficient_mu    2.636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.75701
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7650
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0675
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.34
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4254
_reflns_number_gt                3560
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1120P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4254
_refine_ls_number_parameters     298
_refine_ls_number_restraints     124
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0618
_refine_ls_wR_factor_ref         0.1797
_refine_ls_wR_factor_gt          0.1701
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.110
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.61110(4) 0.52838(4) 0.18320(4) 0.0366(2) Uani 1 1 d . . .
O1 O 0.8525(9) 0.7074(8) 0.2765(8) 0.077(2) Uani 1 1 d . . .
O2 O 0.6916(9) 0.6957(7) 0.3581(7) 0.069(2) Uani 1 1 d . . .
O3 O 0.6599(7) 0.5242(6) 0.0052(6) 0.0504(16) Uani 1 1 d . . .
O4 O 0.3771(8) 0.5254(8) 0.1863(6) 0.0602(19) Uani 1 1 d . . .
O5 O 0.5843(9) 0.7173(6) 0.1007(7) 0.0602(19) Uani 1 1 d . . .
O6 O 0.4977(9) 0.3075(6) 0.0981(6) 0.061(2) Uani 1 1 d . . .
C1 C 0.8149(13) 0.7561(10) 0.3502(11) 0.062(3) Uani 1 1 d . . .
C2 C 0.9129(14) 0.8816(10) 0.4251(10) 0.065(3) Uani 1 1 d . . .
C3 C 0.8548(15) 0.9457(12) 0.4811(15) 0.092(5) Uani 1 1 d . . .
H3 H 0.7556 0.9103 0.4691 0.111 Uiso 1 1 calc R . .
C4 C 1.0565(16) 0.9357(14) 0.4437(15) 0.095(5) Uani 1 1 d D . .
C5 C 0.2938(11) 0.5039(10) 0.0727(10) 0.051(2) Uani 1 1 d . . .
C6 C 0.1447(11) 0.5013(9) 0.0377(9) 0.048(2) Uani 1 1 d . . .
C7 C 0.1077(12) 0.5790(12) 0.1029(10) 0.063(3) Uani 1 1 d D . .
C8 C 0.0356(12) 0.4247(12) -0.0646(11) 0.065(3) Uani 1 1 d . . .
H8 H 0.0584 0.3732 -0.1101 0.078 Uiso 1 1 calc R . .
C9 C 0.5374(12) 0.7535(8) 0.0002(9) 0.049(2) Uani 1 1 d . . .
C10 C 0.5193(12) 0.8813(8) 0.0008(9) 0.051(2) Uani 1 1 d . . .
C11 C 0.5002(15) 0.9418(10) -0.1013(10) 0.065(3) Uani 1 1 d . . .
H11 H 0.5017 0.9035 -0.1699 0.079 Uiso 1 1 calc R . .
C12 C 0.5215(15) 0.9408(9) 0.1048(10) 0.062(3) Uani 1 1 d D . .
C13 C 0.473(2) 0.4055(19) 0.4059(17) 0.127(3) Uani 1 1 d DU . .
H13 H 0.4172 0.4574 0.3835 0.153 Uiso 1 1 calc R . .
C14 C 0.462(2) 0.3275(18) 0.4912(17) 0.130(3) Uani 1 1 d DU . .
H14 H 0.3983 0.3115 0.5327 0.156 Uiso 1 1 calc R . .
C15 C 0.630(2) 0.3238(19) 0.4198(17) 0.129(3) Uani 1 1 d DU . .
H15 H 0.7044 0.3025 0.4102 0.155 Uiso 1 1 calc R . .
C16 C 0.831(2) 0.345(2) 0.215(2) 0.203(5) Uani 1 1 d DU . .
H16 H 0.7601 0.2966 0.1418 0.244 Uiso 1 1 calc R . .
C17 C 1.021(2) 0.409(3) 0.357(2) 0.207(5) Uani 1 1 d DU . .
N1 N 1.123(5) 0.861(4) 0.400(4) 0.174(15) Uani 0.50 1 d PDU . .
N2 N 0.224(2) 0.6757(19) 0.1997(17) 0.093(7) Uani 0.50 1 d PDU . .
N3 N 0.526(4) 0.891(3) 0.2177(18) 0.128(10) Uani 0.50 1 d PDU . .
N4 N 0.5697(15) 0.4041(12) 0.3549(12) 0.102(3) Uani 1 1 d DU . .
N5 N 0.5668(19) 0.2786(17) 0.5005(16) 0.135(3) Uani 1 1 d DU . .
N6 N 0.802(2) 0.4402(15) 0.2588(14) 0.147(4) Uani 1 1 d DU . .
N7 N 0.942(2) 0.4869(19) 0.340(2) 0.205(5) Uani 1 1 d DU . .
N8 N 0.951(2) 0.3122(19) 0.264(2) 0.205(5) Uani 1 1 d DU . .
N9 N 1.174(2) 0.424(2) 0.415(2) 0.211(5) Uani 1 1 d DU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O3 2.355(7) . ?
Eu01 N6 2.410(17) . ?
Eu01 O6 2.383(6) . ?
Eu01 O5 2.388(6) . ?
Eu01 O4 2.440(7) . ?
Eu01 O1 2.484(8) . ?
Eu01 O2 2.498(7) . ?
Eu01 N4 2.555(14) . ?
Eu01 O3 2.786(7) 2_665 ?
Eu01 C1 2.878(11) . ?
Eu01 C5 3.009(10) . ?
Eu01 Eu01 4.0881(9) 2_665 ?
O1 C1 1.268(15) . ?
O2 C1 1.269(14) . ?
O3 C5 1.270(12) 2_665 ?
O3 Eu01 2.786(7) 2_665 ?
O4 C5 1.294(12) . ?
O5 C9 1.249(11) . ?
O6 C9 1.224(12) 2_665 ?
C1 C2 1.479(15) . ?
C2 C4 1.344(18) . ?
C2 C3 1.380(19) . ?
C3 C4 1.412(17) 2_776 ?
C3 H3 0.9300 . ?
C4 C3 1.412(17) 2_776 ?
C4 N1 1.449(5) . ?
C5 O3 1.270(12) 2_665 ?
C5 C6 1.449(14) . ?
C6 C8 1.368(15) . ?
C6 C7 1.395(14) . ?
C7 C8 1.384(16) 2_565 ?
C7 N2 1.445(5) . ?
C8 C7 1.384(16) 2_565 ?
C8 H8 0.9300 . ?
C9 O6 1.224(12) 2_665 ?
C9 C10 1.502(13) . ?
C10 C11 1.378(14) . ?
C10 C12 1.395(15) . ?
C11 C12 1.402(15) 2_675 ?
C11 H11 0.9300 . ?
C12 C11 1.402(15) 2_675 ?
C12 N3 1.449(5) . ?
C13 C14 1.350(5) . ?
C13 N4 1.352(5) . ?
C13 H13 0.9300 . ?
C14 N5 1.352(5) . ?
C14 H14 0.9300 . ?
C15 N4 1.355(5) . ?
C15 N5 1.353(5) . ?
C15 H15 0.9300 . ?
C16 N6 1.350(5) . ?
C16 N8 1.355(5) . ?
C16 N7 1.90(3) . ?
C16 C17 1.995(17) . ?
C16 H16 0.9300 . ?
C17 N8 1.353(5) . ?
C17 N7 1.358(5) . ?
C17 N9 1.451(5) . ?
N6 N7 1.345(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu01 N6 83.2(4) . . ?
O3 Eu01 O6 75.9(2) . . ?
N6 Eu01 O6 74.6(5) . . ?
O3 Eu01 O5 75.0(2) . . ?
N6 Eu01 O5 137.7(4) . . ?
O6 Eu01 O5 131.5(2) . . ?
O3 Eu01 O4 123.6(2) . . ?
N6 Eu01 O4 145.2(4) . . ?
O6 Eu01 O4 89.8(3) . . ?
O5 Eu01 O4 75.4(3) . . ?
O3 Eu01 O1 88.0(3) . . ?
N6 Eu01 O1 71.0(4) . . ?
O6 Eu01 O1 143.5(3) . . ?
O5 Eu01 O1 72.4(3) . . ?
O4 Eu01 O1 125.9(3) . . ?
O3 Eu01 O2 134.7(2) . . ?
N6 Eu01 O2 99.6(5) . . ?
O6 Eu01 O2 148.7(3) . . ?
O5 Eu01 O2 73.2(3) . . ?
O4 Eu01 O2 77.6(3) . . ?
O1 Eu01 O2 52.0(3) . . ?
O3 Eu01 N4 145.6(3) . . ?
N6 Eu01 N4 72.5(5) . . ?
O6 Eu01 N4 74.4(3) . . ?
O5 Eu01 N4 138.9(4) . . ?
O4 Eu01 N4 73.3(4) . . ?
O1 Eu01 N4 106.0(4) . . ?
O2 Eu01 N4 74.6(3) . . ?
O3 Eu01 O3 74.9(2) . 2_665 ?
N6 Eu01 O3 140.0(5) . 2_665 ?
O6 Eu01 O3 67.8(2) . 2_665 ?
O5 Eu01 O3 67.7(2) . 2_665 ?
O4 Eu01 O3 49.6(2) . 2_665 ?
O1 Eu01 O3 139.4(3) . 2_665 ?
O2 Eu01 O3 119.7(3) . 2_665 ?
N4 Eu01 O3 108.7(3) . 2_665 ?
O3 Eu01 C1 111.1(3) . . ?
N6 Eu01 C1 86.4(5) . . ?
O6 Eu01 C1 159.1(3) . . ?
O5 Eu01 C1 69.0(3) . . ?
O4 Eu01 C1 101.3(3) . . ?
O1 Eu01 C1 26.1(3) . . ?
O2 Eu01 C1 26.1(3) . . ?
N4 Eu01 C1 91.8(4) . . ?
O3 Eu01 C1 132.6(3) 2_665 . ?
O3 Eu01 C5 99.1(3) . . ?
N6 Eu01 C5 152.7(4) . . ?
O6 Eu01 C5 79.5(3) . . ?
O5 Eu01 C5 67.9(3) . . ?
O4 Eu01 C5 24.8(3) . . ?
O1 Eu01 C5 136.1(3) . . ?
O2 Eu01 C5 97.9(3) . . ?
N4 Eu01 C5 92.3(4) . . ?
O3 Eu01 C5 24.9(2) 2_665 . ?
C1 Eu01 C5 117.3(3) . . ?
O3 Eu01 Eu01 41.15(16) . 2_665 ?
N6 Eu01 Eu01 117.0(4) . 2_665 ?
O6 Eu01 Eu01 66.53(17) . 2_665 ?
O5 Eu01 Eu01 65.93(18) . 2_665 ?
O4 Eu01 Eu01 82.95(17) . 2_665 ?
O1 Eu01 Eu01 119.8(2) . 2_665 ?
O2 Eu01 Eu01 138.0(2) . 2_665 ?
N4 Eu01 Eu01 134.0(3) . 2_665 ?
O3 Eu01 Eu01 33.80(14) 2_665 2_665 ?
C1 Eu01 Eu01 131.9(2) . 2_665 ?
C5 Eu01 Eu01 58.2(2) . 2_665 ?
C1 O1 Eu01 94.6(7) . . ?
C1 O2 Eu01 93.9(7) . . ?
C5 O3 Eu01 160.6(7) 2_665 . ?
C5 O3 Eu01 87.4(6) 2_665 2_665 ?
Eu01 O3 Eu01 105.1(2) . 2_665 ?
C5 O4 Eu01 103.1(6) . . ?
C9 O5 Eu01 139.6(7) . . ?
C9 O6 Eu01 136.0(6) 2_665 . ?
O1 C1 O2 119.0(10) . . ?
O1 C1 C2 120.4(11) . . ?
O2 C1 C2 120.6(13) . . ?
O1 C1 Eu01 59.3(5) . . ?
O2 C1 Eu01 60.0(6) . . ?
C2 C1 Eu01 173.4(8) . . ?
C4 C2 C3 118.0(11) . . ?
C4 C2 C1 123.6(13) . . ?
C3 C2 C1 118.4(12) . . ?
C2 C3 C4 121.2(13) . 2_776 ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 2_776 . ?
C2 C4 C3 120.8(13) . 2_776 ?
C2 C4 N1 118(2) . . ?
C3 C4 N1 120(2) 2_776 . ?
O3 C5 O4 119.4(9) 2_665 . ?
O3 C5 C6 121.1(9) 2_665 . ?
O4 C5 C6 119.3(9) . . ?
O3 C5 Eu01 67.6(5) 2_665 . ?
O4 C5 Eu01 52.2(5) . . ?
C6 C5 Eu01 171.1(7) . . ?
C8 C6 C7 117.5(9) . . ?
C8 C6 C5 120.4(9) . . ?
C7 C6 C5 122.1(9) . . ?
C8 C7 C6 120.1(9) 2_565 . ?
C8 C7 N2 120.4(14) 2_565 . ?
C6 C7 N2 118.9(14) . . ?
C6 C8 C7 122.4(10) . 2_565 ?
C6 C8 H8 118.8 . . ?
C7 C8 H8 118.8 2_565 . ?
O5 C9 O6 125.5(9) . 2_665 ?
O5 C9 C10 116.8(9) . . ?
O6 C9 C10 117.7(8) 2_665 . ?
C11 C10 C12 118.9(9) . . ?
C11 C10 C9 120.6(9) . . ?
C12 C10 C9 120.5(9) . . ?
C10 C11 C12 122.0(10) . 2_675 ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 2_675 . ?
C10 C12 C11 119.1(9) . 2_675 ?
C10 C12 N3 128.7(16) . . ?
C11 C12 N3 111.8(17) 2_675 . ?
C14 C13 N4 116.5(17) . . ?
C14 C13 H13 121.8 . . ?
N4 C13 H13 121.8 . . ?
C13 C14 N5 101.8(16) . . ?
C13 C14 H14 129.1 . . ?
N5 C14 H14 129.1 . . ?
N4 C15 N5 111.2(15) . . ?
N4 C15 H15 124.4 . . ?
N5 C15 H15 124.4 . . ?
N6 C16 N8 127.4(16) . . ?
N6 C16 N7 45.1(9) . . ?
N8 C16 N7 83.0(9) . . ?
N6 C16 C17 85.0(12) . . ?
N8 C16 C17 42.5(6) . . ?
N7 C16 C17 40.7(4) . . ?
N6 C16 H16 116.3 . . ?
N8 C16 H16 116.3 . . ?
N7 C16 H16 159.2 . . ?
C17 C16 H16 158.6 . . ?
N8 C17 N7 108.2(12) . . ?
N8 C17 N9 110.2(13) . . ?
N7 C17 N9 136(2) . . ?
N8 C17 C16 42.6(6) . . ?
N7 C17 C16 65.9(11) . . ?
N9 C17 C16 150.5(15) . . ?
C13 N4 C15 100.7(15) . . ?
C13 N4 Eu01 125.6(11) . . ?
C15 N4 Eu01 133.7(11) . . ?
C14 N5 C15 109.6(16) . . ?
N7 N6 C16 89.7(17) . . ?
N7 N6 Eu01 133.8(13) . . ?
C16 N6 Eu01 133.9(13) . . ?
N6 N7 C17 117.4(16) . . ?
N6 N7 C16 45.3(9) . . ?
C17 N7 C16 73.4(9) . . ?
C17 N8 C16 94.9(11) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.675
_refine_diff_density_min         -1.735
_refine_diff_density_rms         0.190

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.012 0.000 -0.011 294 45 ' '
_database_code_depnum_ccdc_archive 'CCDC 941892'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-m2hmp

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H22 Eu2 N5 O14, 2(C3 H3.50 N0.50 O0.50)'
_chemical_formula_sum            'C44 H29 Eu2 N6 O15'
_chemical_formula_weight         1185.65

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3912(11)
_cell_length_b                   11.3371(11)
_cell_length_c                   12.8168(12)
_cell_angle_alpha                106.322(8)
_cell_angle_beta                 98.730(8)
_cell_angle_gamma                103.042(9)
_cell_volume                     1373.8(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3493
_cell_measurement_theta_min      3.2138
_cell_measurement_theta_max      28.9783

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             581
_exptl_absorpt_coefficient_mu    2.324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77303
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9445
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.22
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4816
_reflns_number_gt                4126
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1129P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4816
_refine_ls_number_parameters     352
_refine_ls_number_restraints     166
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1742
_refine_ls_wR_factor_gt          0.1669
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_restrained_S_all      1.202
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.47839(4) 0.44500(3) 0.33609(3) 0.0357(2) Uani 1 1 d . . .
C1 C 0.4889(9) 0.2279(8) 0.1663(7) 0.0399(18) Uani 1 1 d . . .
C2 C 0.4944(9) 0.1092(8) 0.0799(7) 0.0414(19) Uani 1 1 d . . .
C3 C 0.3813(10) 0.0369(10) -0.0040(8) 0.057(2) Uani 1 1 d . . .
H3 H 0.3011 0.0606 -0.0063 0.069 Uiso 1 1 calc R . .
C4 C 0.6128(9) 0.0719(10) 0.0855(8) 0.057(3) Uani 1 1 d . . .
C5 C 0.2387(8) 0.4536(7) 0.4281(7) 0.0402(19) Uani 1 1 d . . .
C6 C 0.1141(8) 0.4773(8) 0.4639(7) 0.0425(19) Uani 1 1 d . . .
C7 C -0.0129(9) 0.4251(9) 0.3887(7) 0.048(2) Uani 1 1 d . . .
C8 C 0.1260(9) 0.5543(9) 0.5738(7) 0.049(2) Uani 1 1 d . . .
H8 H 0.2113 0.5920 0.6220 0.059 Uiso 1 1 calc R . .
C9 C 0.4961(9) 0.2544(8) 0.4979(7) 0.0429(19) Uani 1 1 d . . .
C10 C 0.4962(9) 0.1223(8) 0.4983(7) 0.046(2) Uani 1 1 d . . .
C11 C 0.5453(10) 0.1019(8) 0.5986(7) 0.049(2) Uani 1 1 d . . .
H11 H 0.5758 0.1709 0.6648 0.059 Uiso 1 1 calc R . .
C12 C 0.4512(11) 0.0169(9) 0.3996(8) 0.053(2) Uani 1 1 d . . .
C13 C 0.6353(11) 0.6622(11) 0.2264(9) 0.072(3) Uani 1 1 d DU . .
H13A H 0.7023 0.6705 0.1817 0.087 Uiso 1 1 calc R . .
H13B H 0.6428 0.7471 0.2755 0.087 Uiso 1 1 calc R . .
C14 C 0.4965(11) 0.6069(10) 0.1508(9) 0.070(3) Uani 1 1 d DU . .
C15 C 0.4584(15) 0.6545(12) 0.0631(11) 0.097(3) Uani 1 1 d DU . .
C16 C 0.3332(15) 0.6035(13) -0.0029(11) 0.097(4) Uani 1 1 d DU . .
H16 H 0.3094 0.6345 -0.0608 0.117 Uiso 1 1 calc R . .
C17 C 0.2392(14) 0.5070(12) 0.0120(10) 0.091(3) Uani 1 1 d DU . .
H17 H 0.1517 0.4723 -0.0329 0.109 Uiso 1 1 calc R . .
C18 C 0.2855(12) 0.4632(10) 0.1026(8) 0.072(3) Uani 1 1 d DU . .
H18 H 0.2254 0.3970 0.1151 0.087 Uiso 1 1 calc R . .
C19 C 0.540(2) 0.7580(15) 0.0287(19) 0.195(7) Uani 1 1 d DU . .
H19A H 0.6262 0.7974 0.0806 0.292 Uiso 1 1 calc R . .
H19B H 0.4919 0.8212 0.0282 0.292 Uiso 1 1 calc R . .
H19C H 0.5528 0.7216 -0.0447 0.292 Uiso 1 1 calc R . .
C20 C 0.888(3) 0.8301(18) 0.5319(14) 0.080(4) Uani 0.50 1 d PDU . .
H20 H 0.8022 0.8237 0.5456 0.096 Uiso 0.50 1 calc PR . .
C21 C 0.979(2) 0.901(2) 0.603(2) 0.097(5) Uani 0.50 1 d PDU . .
H21 H 0.9683 0.9495 0.6705 0.116 Uiso 0.50 1 calc PR . .
C22 C 1.106(2) 0.907(2) 0.578(2) 0.095(5) Uani 0.50 1 d PDU . .
H22 H 1.1806 0.9630 0.6333 0.114 Uiso 0.50 1 calc PR . .
C23 C 1.133(2) 0.838(2) 0.4795(17) 0.094(4) Uani 0.50 1 d PDU . .
H23 H 1.2198 0.8458 0.4671 0.113 Uiso 0.50 1 calc PR . .
C24 C 1.0157(17) 0.7570(19) 0.4014(17) 0.093(4) Uani 0.50 1 d PDU . .
C25 C 1.006(3) 0.664(2) 0.2889(17) 0.106(5) Uani 0.50 1 d PDU . .
H25A H 1.0888 0.6384 0.2872 0.128 Uiso 0.50 1 calc PR . .
H25B H 0.9302 0.5887 0.2708 0.128 Uiso 0.50 1 calc PR . .
N1 N 0.712(4) 0.108(4) 0.171(3) 0.158(12) Uani 0.50 1 d PU . .
N2 N -0.0322(16) 0.3535(18) 0.2785(14) 0.063(4) Uani 0.50 1 d PU . .
N3 N 0.382(2) 0.024(2) 0.2963(18) 0.082(6) Uani 0.50 1 d PU . .
N4 N 0.4083(8) 0.5118(7) 0.1683(6) 0.0552(18) Uani 1 1 d DU . .
N5 N 0.8965(16) 0.7565(15) 0.4315(14) 0.067(3) Uani 0.50 1 d PDU . .
O1 O 0.3746(6) 0.2464(5) 0.1744(5) 0.0472(14) Uani 1 1 d . . .
O2 O 0.5965(6) 0.3066(5) 0.2287(5) 0.0467(14) Uani 1 1 d . . .
O3 O 0.2376(6) 0.4110(6) 0.3261(5) 0.0488(14) Uani 1 1 d . . .
O4 O 0.6535(5) 0.5212(5) 0.4977(5) 0.0413(13) Uani 1 1 d . . .
O5 O 0.4601(6) 0.2710(5) 0.4070(5) 0.0463(14) Uani 1 1 d . . .
O6 O 0.4673(6) 0.6593(5) 0.4083(5) 0.0454(14) Uani 1 1 d . . .
O7 O 0.6623(7) 0.5887(6) 0.2885(6) 0.0585(17) Uani 1 1 d . . .
O8 O 0.987(3) 0.733(3) 0.211(2) 0.139(6) Uani 0.50 1 d PDU . .
H8A H 0.9084 0.7051 0.1741 0.209 Uiso 0.50 1 calc PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O4 2.343(6) . ?
Eu01 O6 2.380(5) . ?
Eu01 O5 2.376(6) . ?
Eu01 O3 2.422(6) . ?
Eu01 O2 2.456(5) . ?
Eu01 O1 2.476(5) . ?
Eu01 O7 2.487(6) . ?
Eu01 N4 2.533(8) . ?
Eu01 O4 2.688(5) 2_666 ?
Eu01 C1 2.826(7) . ?
Eu01 C5 2.923(7) . ?
Eu01 Eu01 3.9548(8) 2_666 ?
C1 O2 1.250(10) . ?
C1 O1 1.266(10) . ?
C1 C2 1.503(10) . ?
C2 C3 1.377(13) . ?
C2 C4 1.387(12) . ?
C3 C4 1.395(12) 2_655 ?
C3 H3 0.9300 . ?
C4 N1 1.28(4) . ?
C4 C3 1.395(12) 2_655 ?
C5 O3 1.257(10) . ?
C5 O4 1.273(10) 2_666 ?
C5 C6 1.491(10) . ?
C6 C8 1.404(12) . ?
C6 C7 1.401(12) . ?
C7 N2 1.375(19) . ?
C7 C8 1.377(11) 2_566 ?
C8 C7 1.377(11) 2_566 ?
C8 H8 0.9300 . ?
C9 O5 1.248(11) . ?
C9 O6 1.257(10) 2_666 ?
C9 C10 1.499(12) . ?
C10 C11 1.410(12) . ?
C10 C12 1.402(12) . ?
C11 C12 1.362(12) 2_656 ?
C11 H11 0.9300 . ?
C12 C11 1.362(12) 2_656 ?
C12 N3 1.44(2) . ?
C13 O7 1.348(13) . ?
C13 C14 1.496(16) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N4 1.343(14) . ?
C14 C15 1.419(18) . ?
C15 C16 1.339(19) . ?
C15 C19 1.497(5) . ?
C16 C17 1.371(19) . ?
C16 H16 0.9300 . ?
C17 C18 1.445(17) . ?
C17 H17 0.9300 . ?
C18 N4 1.318(14) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.16(3) . ?
C20 N5 1.348(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.391(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.389(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.393(5) . ?
C23 H23 0.9300 . ?
C24 N5 1.351(5) . ?
C24 C25 1.500(5) . ?
C25 O8 1.445(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
O4 C5 1.273(10) 2_666 ?
O4 Eu01 2.688(5) 2_666 ?
O6 C9 1.257(10) 2_666 ?
O8 H8A 0.8200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu01 O6 80.0(2) . . ?
O4 Eu01 O5 75.2(2) . . ?
O6 Eu01 O5 134.18(19) . . ?
O4 Eu01 O3 127.16(19) . . ?
O6 Eu01 O3 78.7(2) . . ?
O5 Eu01 O3 86.4(2) . . ?
O4 Eu01 O2 93.24(19) . . ?
O6 Eu01 O2 145.0(2) . . ?
O5 Eu01 O2 74.9(2) . . ?
O3 Eu01 O2 129.38(19) . . ?
O4 Eu01 O1 138.42(19) . . ?
O6 Eu01 O1 141.5(2) . . ?
O5 Eu01 O1 73.2(2) . . ?
O3 Eu01 O1 76.95(19) . . ?
O2 Eu01 O1 52.77(19) . . ?
O4 Eu01 O7 76.6(2) . . ?
O6 Eu01 O7 71.5(2) . . ?
O5 Eu01 O7 135.9(2) . . ?
O3 Eu01 O7 137.6(2) . . ?
O2 Eu01 O7 73.6(2) . . ?
O1 Eu01 O7 109.3(2) . . ?
O4 Eu01 N4 137.7(2) . . ?
O6 Eu01 N4 73.7(2) . . ?
O5 Eu01 N4 145.3(2) . . ?
O3 Eu01 N4 79.4(2) . . ?
O2 Eu01 N4 90.0(2) . . ?
O1 Eu01 N4 72.9(2) . . ?
O7 Eu01 N4 64.0(3) . . ?
O4 Eu01 O4 76.58(18) . 2_666 ?
O6 Eu01 O4 67.01(18) . 2_666 ?
O5 Eu01 O4 70.05(18) . 2_666 ?
O3 Eu01 O4 50.59(19) . 2_666 ?
O2 Eu01 O4 144.9(2) . 2_666 ?
O1 Eu01 O4 115.95(18) . 2_666 ?
O7 Eu01 O4 133.6(2) . 2_666 ?
N4 Eu01 O4 120.2(2) . 2_666 ?
O4 Eu01 C1 116.1(2) . . ?
O6 Eu01 C1 154.2(2) . . ?
O5 Eu01 C1 71.4(2) . . ?
O3 Eu01 C1 103.3(2) . . ?
O2 Eu01 C1 26.2(2) . . ?
O1 Eu01 C1 26.6(2) . . ?
O7 Eu01 C1 91.9(2) . . ?
N4 Eu01 C1 81.3(2) . . ?
O4 Eu01 C1 134.0(2) 2_666 . ?
O4 Eu01 C5 102.2(2) . . ?
O6 Eu01 C5 68.7(2) . . ?
O5 Eu01 C5 79.6(2) . . ?
O3 Eu01 C5 25.0(2) . . ?
O2 Eu01 C5 145.6(2) . . ?
O1 Eu01 C5 98.0(2) . . ?
O7 Eu01 C5 139.7(2) . . ?
N4 Eu01 C5 98.4(2) . . ?
O4 Eu01 C5 25.8(2) 2_666 . ?
C1 Eu01 C5 122.4(2) . . ?
O4 Eu01 Eu01 41.39(12) . 2_666 ?
O6 Eu01 Eu01 68.37(14) . 2_666 ?
O5 Eu01 Eu01 67.49(14) . 2_666 ?
O3 Eu01 Eu01 85.78(14) . 2_666 ?
O2 Eu01 Eu01 126.13(15) . 2_666 ?
O1 Eu01 Eu01 137.79(15) . 2_666 ?
O7 Eu01 Eu01 109.36(17) . 2_666 ?
N4 Eu01 Eu01 141.30(15) . 2_666 ?
O4 Eu01 Eu01 35.19(12) 2_666 2_666 ?
C1 Eu01 Eu01 137.18(17) . 2_666 ?
C5 Eu01 Eu01 60.85(17) . 2_666 ?
O2 C1 O1 121.2(7) . . ?
O2 C1 C2 119.8(7) . . ?
O1 C1 C2 119.1(7) . . ?
O2 C1 Eu01 60.1(4) . . ?
O1 C1 Eu01 61.1(4) . . ?
C2 C1 Eu01 177.3(6) . . ?
C3 C2 C4 120.2(8) . . ?
C3 C2 C1 119.9(8) . . ?
C4 C2 C1 120.0(8) . . ?
C2 C3 C4 119.9(8) . 2_655 ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 2_655 . ?
N1 C4 C2 126.8(19) . . ?
N1 C4 C3 111.3(19) . 2_655 ?
C2 C4 C3 119.9(8) . 2_655 ?
O3 C5 O4 120.5(7) . 2_666 ?
O3 C5 C6 120.4(8) . . ?
O4 C5 C6 119.0(7) 2_666 . ?
O3 C5 Eu01 54.6(4) . . ?
O4 C5 Eu01 66.8(4) 2_666 . ?
C6 C5 Eu01 168.6(6) . . ?
C8 C6 C7 120.2(7) . . ?
C8 C6 C5 119.1(7) . . ?
C7 C6 C5 120.7(7) . . ?
N2 C7 C8 117.4(10) . 2_566 ?
N2 C7 C6 123.7(9) . . ?
C8 C7 C6 118.9(8) 2_566 . ?
C6 C8 C7 120.9(8) . 2_566 ?
C6 C8 H8 119.6 . . ?
C7 C8 H8 119.6 2_566 . ?
O5 C9 O6 125.0(8) . 2_666 ?
O5 C9 C10 118.9(7) . . ?
O6 C9 C10 116.0(8) 2_666 . ?
C11 C10 C12 118.3(8) . . ?
C11 C10 C9 120.3(8) . . ?
C12 C10 C9 121.4(8) . . ?
C12 C11 C10 121.2(8) 2_656 . ?
C12 C11 H11 119.4 2_656 . ?
C10 C11 H11 119.4 . . ?
C11 C12 C10 120.5(8) 2_656 . ?
C11 C12 N3 116.6(12) 2_656 . ?
C10 C12 N3 122.2(12) . . ?
O7 C13 C14 112.0(9) . . ?
O7 C13 H13A 109.2 . . ?
C14 C13 H13A 109.2 . . ?
O7 C13 H13B 109.2 . . ?
C14 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
N4 C14 C15 120.7(11) . . ?
N4 C14 C13 118.5(11) . . ?
C15 C14 C13 120.8(11) . . ?
C16 C15 C14 119.5(13) . . ?
C16 C15 C19 111.0(16) . . ?
C14 C15 C19 129.5(16) . . ?
C17 C16 C15 122.1(14) . . ?
C17 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
C16 C17 C18 115.3(13) . . ?
C16 C17 H17 122.4 . . ?
C18 C17 H17 122.4 . . ?
N4 C18 C17 123.6(12) . . ?
N4 C18 H18 118.2 . . ?
C17 C18 H18 118.2 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 N5 126(3) . . ?
C21 C20 H20 117.0 . . ?
N5 C20 H20 117.0 . . ?
C20 C21 C22 115(3) . . ?
C20 C21 H21 122.6 . . ?
C22 C21 H21 122.6 . . ?
C21 C22 C23 127(3) . . ?
C21 C22 H22 116.6 . . ?
C23 C22 H22 116.6 . . ?
C22 C23 C24 113(2) . . ?
C22 C23 H23 123.6 . . ?
C24 C23 H23 123.6 . . ?
N5 C24 C23 116.8(19) . . ?
N5 C24 C25 115.6(19) . . ?
C23 C24 C25 127.5(19) . . ?
O8 C25 C24 105(2) . . ?
O8 C25 H25A 110.7 . . ?
C24 C25 H25A 110.7 . . ?
O8 C25 H25B 110.7 . . ?
C24 C25 H25B 110.7 . . ?
H25A C25 H25B 108.8 . . ?
C18 N4 C14 118.9(10) . . ?
C18 N4 Eu01 122.4(7) . . ?
C14 N4 Eu01 118.5(7) . . ?
C20 N5 C24 122.8(19) . . ?
C1 O1 Eu01 92.3(5) . . ?
C1 O2 Eu01 93.7(5) . . ?
C5 O3 Eu01 100.4(5) . . ?
C5 O4 Eu01 167.1(5) 2_666 . ?
C5 O4 Eu01 87.5(4) 2_666 2_666 ?
Eu01 O4 Eu01 103.42(18) . 2_666 ?
C9 O5 Eu01 137.8(6) . . ?
C9 O6 Eu01 136.1(6) 2_666 . ?
C13 O7 Eu01 121.7(6) . . ?
C25 O8 H8A 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.093
_refine_diff_density_min         -1.914
_refine_diff_density_rms         0.192

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 216 34 ' '
_database_code_depnum_ccdc_archive 'CCDC 941893'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-mIma

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H14 Eu2 N7 O14'
_chemical_formula_sum            'C34 H14 Eu2 N7 O14'
_chemical_formula_weight         1048.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4457(7)
_cell_length_b                   11.3042(9)
_cell_length_c                   13.9642(11)
_cell_angle_alpha                110.218(7)
_cell_angle_beta                 107.559(7)
_cell_angle_gamma                91.119(6)
_cell_volume                     1461.0(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3578
_cell_measurement_theta_min      3.0129
_cell_measurement_theta_max      28.9028

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             505
_exptl_absorpt_coefficient_mu    2.176
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.85690
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9876
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5156
_reflns_number_gt                4111
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1501P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5156
_refine_ls_number_parameters     271
_refine_ls_number_restraints     196
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0697
_refine_ls_wR_factor_ref         0.2095
_refine_ls_wR_factor_gt          0.1965
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.4183(7) 0.2085(7) 0.7572(5) 0.0689(19) Uani 1 1 d . . .
O2 O 0.6387(7) 0.2580(6) 0.8186(5) 0.0587(16) Uani 1 1 d . . .
O3 O 0.7768(7) 0.0845(7) 0.6662(5) 0.0650(18) Uani 1 1 d . . .
O4 O 0.3523(7) -0.0055(6) 0.5046(5) 0.0565(15) Uani 1 1 d . . .
O5 O 0.5354(8) 0.2312(6) 0.5922(5) 0.0638(18) Uani 1 1 d . . .
O6 O 0.5579(8) -0.1576(6) 0.5878(5) 0.0664(19) Uani 1 1 d . . .
O7 O 0.3720(19) -0.0638(19) 0.7043(15) 0.197(5) Uani 1 1 d DU . .
C1 C 0.5233(10) 0.2809(8) 0.8243(6) 0.049(2) Uani 1 1 d . . .
C2 C 0.5115(10) 0.3964(8) 0.9157(6) 0.050(2) Uani 1 1 d . . .
C3 C 0.3850(11) 0.4302(11) 0.9160(8) 0.068(3) Uani 1 1 d . . .
H3 H 0.3069 0.3840 0.8601 0.082 Uiso 1 1 calc R . .
C4 C 0.6222(11) 0.4651(10) 0.9978(8) 0.068(3) Uani 1 1 d D . .
C5 C 0.7656(10) 0.0388(9) 0.5690(8) 0.058(2) Uani 1 1 d . . .
C6 C 0.8852(10) 0.0198(9) 0.5347(7) 0.060(2) Uani 1 1 d . . .
C7 C 1.0171(10) 0.0682(12) 0.6075(8) 0.070(3) Uani 1 1 d D . .
C8 C 0.8734(10) -0.0522(11) 0.4261(8) 0.070(3) Uani 1 1 d . . .
H8 H 0.7879 -0.0895 0.3765 0.085 Uiso 1 1 calc R . .
C9 C 0.4919(10) 0.2454(9) 0.5055(8) 0.055(2) Uani 1 1 d U . .
C10 C 0.4955(10) 0.3770(9) 0.5033(7) 0.055(2) Uani 1 1 d U . .
C11 C 0.5488(12) 0.4867(10) 0.6003(8) 0.068(3) Uani 1 1 d DU . .
C12 C 0.4497(12) 0.3950(10) 0.4058(8) 0.068(3) Uani 1 1 d U . .
H12 H 0.4168 0.3240 0.3421 0.082 Uiso 1 1 calc R . .
C13 C 0.760(2) 0.027(3) 0.9132(19) 0.199(5) Uani 1 1 d DU . .
H13 H 0.8394 0.0841 0.9414 0.238 Uiso 1 1 calc R . .
C14 C 0.585(3) -0.090(3) 0.934(2) 0.205(5) Uani 1 1 d DU . .
C15 C 0.568(2) -0.063(3) 0.843(2) 0.195(4) Uani 1 1 d DU . .
C16 C 0.420(2) -0.100(3) 0.781(2) 0.199(6) Uani 1 1 d DU . .
C17 C 0.529(3) -0.188(3) 0.965(2) 0.209(6) Uani 1 1 d DU . .
H17A H 0.5776 -0.1737 1.0394 0.313 Uiso 1 1 calc R . .
H17B H 0.5394 -0.2715 0.9203 0.313 Uiso 1 1 calc R . .
H17C H 0.4348 -0.1834 0.9557 0.313 Uiso 1 1 calc R . .
N1 N 0.750(4) 0.454(4) 0.997(3) 0.188(15) Uani 0.50 1 d PDU . .
N2 N 1.039(3) 0.134(3) 0.7154(19) 0.108(7) Uani 0.50 1 d PDU . .
N3 N 0.612(2) 0.476(2) 0.7019(16) 0.089(6) Uani 0.50 1 d PDU . .
N4 N 0.658(2) 0.000(2) 0.8196(15) 0.189(5) Uani 1 1 d DU . .
N5 N 0.718(2) -0.051(2) 0.9557(19) 0.199(4) Uani 1 1 d DU . .
Eu01 Eu 0.54385(4) 0.06317(3) 0.65833(3) 0.0473(2) Uani 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C1 1.251(11) . ?
O1 Eu01 2.436(6) . ?
O2 C1 1.258(11) . ?
O2 Eu01 2.451(6) . ?
O3 C5 1.241(12) . ?
O3 Eu01 2.406(7) . ?
O4 C5 1.291(12) 2_656 ?
O4 Eu01 2.326(7) . ?
O4 Eu01 2.697(6) 2_656 ?
O5 C9 1.225(11) . ?
O5 Eu01 2.375(6) . ?
O6 C9 1.277(11) 2_656 ?
O6 Eu01 2.371(6) . ?
O7 C16 1.249(5) . ?
O7 Eu01 2.63(2) . ?
C1 C2 1.516(11) . ?
C1 Eu01 2.802(8) . ?
C2 C4 1.344(14) . ?
C2 C3 1.384(14) . ?
C3 C4 1.388(13) 2_667 ?
C3 H3 0.9300 . ?
C4 N1 1.35(3) . ?
C4 C3 1.388(13) 2_667 ?
C5 O4 1.291(12) 2_656 ?
C5 C6 1.461(13) . ?
C5 Eu01 2.920(10) . ?
C6 C7 1.404(14) . ?
C6 C8 1.417(13) . ?
C7 C8 1.355(14) 2_756 ?
C7 N2 1.37(2) . ?
C8 C7 1.355(14) 2_756 ?
C8 H8 0.9300 . ?
C9 O6 1.278(11) 2_656 ?
C9 C10 1.499(13) . ?
C10 C12 1.388(13) . ?
C10 C11 1.428(14) . ?
C11 C12 1.369(15) 2_666 ?
C11 N3 1.42(2) . ?
C12 C11 1.369(15) 2_666 ?
C12 H12 0.9300 . ?
C13 N4 1.348(5) . ?
C13 N5 1.355(5) . ?
C13 C15 2.018(17) . ?
C13 H13 0.9300 . ?
C14 C15 1.351(5) . ?
C14 N5 1.353(5) . ?
C14 C17 1.501(5) . ?
C15 N4 1.356(5) . ?
C15 C16 1.493(5) . ?
C15 N5 1.81(3) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
N4 Eu01 2.551(17) . ?
Eu01 O4 2.697(6) 2_656 ?
Eu01 Eu01 3.9460(8) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 O1 Eu01 93.3(5) . . ?
C1 O2 Eu01 92.4(5) . . ?
C5 O3 Eu01 101.6(6) . . ?
C5 O4 Eu01 170.0(6) 2_656 . ?
C5 O4 Eu01 86.6(5) 2_656 2_656 ?
Eu01 O4 Eu01 103.3(2) . 2_656 ?
C9 O5 Eu01 138.1(6) . . ?
C9 O6 Eu01 134.0(6) 2_656 . ?
C16 O7 Eu01 116.8(17) . . ?
O1 C1 O2 121.1(8) . . ?
O1 C1 C2 119.4(8) . . ?
O2 C1 C2 119.4(8) . . ?
O1 C1 Eu01 60.2(4) . . ?
O2 C1 Eu01 60.9(4) . . ?
C2 C1 Eu01 178.4(6) . . ?
C4 C2 C3 119.4(8) . . ?
C4 C2 C1 120.9(8) . . ?
C3 C2 C1 119.8(9) . . ?
C2 C3 C4 118.2(9) . 2_667 ?
C2 C3 H3 120.9 . . ?
C4 C3 H3 120.9 2_667 . ?
C2 C4 N1 124(2) . . ?
C2 C4 C3 122.4(9) . 2_667 ?
N1 C4 C3 113(2) . 2_667 ?
O3 C5 O4 120.8(9) . 2_656 ?
O3 C5 C6 121.0(9) . . ?
O4 C5 C6 118.2(9) 2_656 . ?
O3 C5 Eu01 53.8(5) . . ?
O4 C5 Eu01 67.2(5) 2_656 . ?
C6 C5 Eu01 172.6(8) . . ?
C7 C6 C8 116.7(9) . . ?
C7 C6 C5 122.1(9) . . ?
C8 C6 C5 121.2(9) . . ?
C8 C7 N2 117.7(15) 2_756 . ?
C8 C7 C6 121.3(9) 2_756 . ?
N2 C7 C6 121.0(14) . . ?
C7 C8 C6 121.9(9) 2_756 . ?
C7 C8 H8 119.0 2_756 . ?
C6 C8 H8 119.0 . . ?
O5 C9 O6 126.7(9) . 2_656 ?
O5 C9 C10 119.6(8) . . ?
O6 C9 C10 113.7(8) 2_656 . ?
C12 C10 C11 118.2(9) . . ?
C12 C10 C9 120.5(8) . . ?
C11 C10 C9 121.3(8) . . ?
C12 C11 N3 119.0(12) 2_666 . ?
C12 C11 C10 119.2(9) 2_666 . ?
N3 C11 C10 121.5(12) . . ?
C11 C12 C10 122.5(10) 2_666 . ?
C11 C12 H12 118.7 2_666 . ?
C10 C12 H12 118.7 . . ?
N4 C13 N5 102.0(17) . . ?
N4 C13 C15 41.9(6) . . ?
N5 C13 C15 61.3(14) . . ?
N4 C13 H13 129.0 . . ?
N5 C13 H13 129.0 . . ?
C15 C13 H13 166.6 . . ?
C15 C14 N5 84.2(18) . . ?
C15 C14 C17 138(3) . . ?
N5 C14 C17 126(3) . . ?
C14 C15 N4 128.8(16) . . ?
C14 C15 C16 105(2) . . ?
N4 C15 C16 125(2) . . ?
C14 C15 N5 47.9(9) . . ?
N4 C15 N5 81.7(10) . . ?
C16 C15 N5 153(2) . . ?
C14 C15 C13 87.3(13) . . ?
N4 C15 C13 41.6(6) . . ?
C16 C15 C13 164(2) . . ?
N5 C15 C13 41.0(4) . . ?
O7 C16 C15 118(2) . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 N4 C15 96.6(11) . . ?
C13 N4 Eu01 147.6(17) . . ?
C15 N4 Eu01 112.3(16) . . ?
C14 N5 C13 123(2) . . ?
C14 N5 C15 47.9(9) . . ?
C13 N5 C15 77.7(13) . . ?
O4 Eu01 O6 79.0(2) . . ?
O4 Eu01 O5 76.4(2) . . ?
O6 Eu01 O5 135.1(2) . . ?
O4 Eu01 O3 127.4(2) . . ?
O6 Eu01 O3 83.4(3) . . ?
O5 Eu01 O3 82.6(3) . . ?
O4 Eu01 O1 90.0(2) . . ?
O6 Eu01 O1 140.0(3) . . ?
O5 Eu01 O1 77.0(3) . . ?
O3 Eu01 O1 131.2(2) . . ?
O4 Eu01 O2 137.0(2) . . ?
O6 Eu01 O2 142.9(2) . . ?
O5 Eu01 O2 74.4(2) . . ?
O3 Eu01 O2 78.9(2) . . ?
O1 Eu01 O2 53.1(2) . . ?
O4 Eu01 N4 138.8(6) . . ?
O6 Eu01 N4 73.3(5) . . ?
O5 Eu01 N4 143.8(6) . . ?
O3 Eu01 N4 79.2(5) . . ?
O1 Eu01 N4 92.0(5) . . ?
O2 Eu01 N4 71.6(6) . . ?
O4 Eu01 O7 75.1(4) . . ?
O6 Eu01 O7 70.3(5) . . ?
O5 Eu01 O7 135.5(5) . . ?
O3 Eu01 O7 141.8(5) . . ?
O1 Eu01 O7 69.7(5) . . ?
O2 Eu01 O7 105.8(5) . . ?
N4 Eu01 O7 67.2(6) . . ?
O4 Eu01 O4 76.7(2) . 2_656 ?
O6 Eu01 O4 68.7(2) . 2_656 ?
O5 Eu01 O4 69.4(2) . 2_656 ?
O3 Eu01 O4 50.7(2) . 2_656 ?
O1 Eu01 O4 145.8(2) . 2_656 ?
O2 Eu01 O4 120.0(2) . 2_656 ?
N4 Eu01 O4 118.8(5) . 2_656 ?
O7 Eu01 O4 133.6(5) . 2_656 ?
O4 Eu01 C1 114.0(2) . . ?
O6 Eu01 C1 150.9(2) . . ?
O5 Eu01 C1 74.0(2) . . ?
O3 Eu01 C1 105.2(2) . . ?
O1 Eu01 C1 26.5(3) . . ?
O2 Eu01 C1 26.6(2) . . ?
N4 Eu01 C1 81.0(5) . . ?
O7 Eu01 C1 87.5(5) . . ?
O4 Eu01 C1 138.0(2) 2_656 . ?
O4 Eu01 C5 102.9(3) . . ?
O6 Eu01 C5 73.7(3) . . ?
O5 Eu01 C5 76.0(3) . . ?
O3 Eu01 C5 24.6(2) . . ?
O1 Eu01 C5 146.2(3) . . ?
O2 Eu01 C5 99.9(3) . . ?
N4 Eu01 C5 98.0(5) . . ?
O7 Eu01 C5 143.7(5) . . ?
O4 Eu01 C5 26.2(2) 2_656 . ?
C1 Eu01 C5 124.2(3) . . ?
O4 Eu01 Eu01 41.69(15) . 2_656 ?
O6 Eu01 Eu01 68.90(14) . 2_656 ?
O5 Eu01 Eu01 67.68(14) . 2_656 ?
O3 Eu01 Eu01 85.70(15) . 2_656 ?
O1 Eu01 Eu01 124.42(17) . 2_656 ?
O2 Eu01 Eu01 140.57(17) . 2_656 ?
N4 Eu01 Eu01 140.6(5) . 2_656 ?
O7 Eu01 Eu01 108.6(4) . 2_656 ?
O4 Eu01 Eu01 35.00(14) 2_656 2_656 ?
C1 Eu01 Eu01 138.39(19) . 2_656 ?
C5 Eu01 Eu01 61.2(2) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.427
_refine_diff_density_min         -2.397
_refine_diff_density_rms         0.187

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.196 0.207 660 93 ' '

# start Validation Reply Form
_vrf_PLAT241_EuN-BDC-mIma        
;
RESPONSE: This is due to the severe disorder of this 
atom, which could not eliminated although 
we have applied several restaints to limit it. 
;
_database_code_depnum_ccdc_archive 'CCDC 941894'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_EuN-BDC-py

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19.10 H12.20 Eu N3.20 O6.70, 0.3(O)'
_chemical_formula_sum            'C19.10 H12.20 Eu N3.20 O7'
_chemical_formula_weight         550.48

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.39290(11)
_cell_length_b                   11.26700(12)
_cell_length_c                   12.47060(14)
_cell_angle_alpha                96.847(9)
_cell_angle_beta                 110.8560(10)
_cell_angle_gamma                103.830(9)
_cell_volume                     1291.00(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3483
_cell_measurement_theta_min      3.2754
_cell_measurement_theta_max      29.1938

_exptl_crystal_description       polyhedral
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             536
_exptl_absorpt_coefficient_mu    2.466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.95954
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8918
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.28
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4535
_reflns_number_gt                3785
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0977P)²+1.0600P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4535
_refine_ls_number_parameters     309
_refine_ls_number_restraints     131
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0535
_refine_ls_wR_factor_ref         0.1496
_refine_ls_wR_factor_gt          0.1410
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.88737(4) 0.45625(3) 0.32492(3) 0.04112(17) Uani 1 1 d . . .
O1 O 0.6558(8) 0.2827(7) 0.2404(7) 0.098(3) Uani 1 1 d . . .
O2 O 0.8041(8) 0.2883(6) 0.1518(5) 0.079(2) Uani 1 1 d . . .
O3 O 1.1175(6) 0.4554(6) 0.3183(5) 0.0579(14) Uani 1 1 d . . .
O4 O 1.1554(6) 0.5247(5) 0.5019(5) 0.0563(14) Uani 1 1 d . . .
O5 O 0.9349(7) 0.2817(4) 0.4001(5) 0.0636(17) Uani 1 1 d . . .
O6 O 0.9782(9) 0.6751(5) 0.4025(6) 0.080(2) Uani 1 1 d . . .
O7 O 0.683(3) 0.548(2) 0.235(2) 0.162(6) Uani 0.70 1 d PDU . .
O7A O 0.648(8) 0.503(5) 0.231(6) 0.169(8) Uani 0.30 1 d PU . .
N1 N 0.391(5) 0.127(4) 0.136(4) 0.224(15) Uani 0.50 1 d PDU . .
N2 N 1.294(2) 0.3205(17) 0.2943(13) 0.109(6) Uani 0.50 1 d PDU . .
N3 N 0.955(3) 0.087(2) 0.2888(13) 0.114(7) Uani 0.50 1 d PDU . .
N4 N 0.9194(16) 0.5610(11) 0.1623(13) 0.136(3) Uani 1 1 d DU . .
N5 N 0.569(3) 0.716(3) 0.273(2) 0.207(6) Uani 0.70 1 d PDU . .
C1 C 0.6903(11) 0.2362(10) 0.1612(9) 0.082(3) Uani 1 1 d . . .
C2 C 0.5937(13) 0.1137(12) 0.0805(11) 0.113(5) Uani 1 1 d . . .
C3 C 0.6362(17) 0.0491(15) 0.0045(14) 0.164(9) Uani 1 1 d . . .
H3 H 0.7284 0.0806 0.0064 0.197 Uiso 1 1 calc R . .
C4 C 0.4554(16) 0.0601(16) 0.0731(14) 0.163(9) Uani 1 1 d D . .
C5 C 1.2006(8) 0.4916(7) 0.4245(7) 0.0478(18) Uani 1 1 d . . .
C6 C 1.3553(8) 0.4962(7) 0.4622(6) 0.0461(17) Uani 1 1 d . . .
C7 C 1.3978(9) 0.4161(9) 0.3970(7) 0.062(2) Uani 1 1 d D . .
C8 C 1.4581(9) 0.5772(8) 0.5625(8) 0.061(2) Uani 1 1 d . . .
H8 H 1.4299 0.6308 0.6059 0.074 Uiso 1 1 calc R . .
C9 C 0.9830(12) 0.2525(7) 0.4977(9) 0.068(3) Uani 1 1 d . . .
C10 C 0.9888(12) 0.1204(7) 0.4956(8) 0.068(3) Uani 1 1 d . . .
C11 C 1.0198(16) 0.0775(8) 0.5988(9) 0.092(4) Uani 1 1 d . . .
H11 H 1.0333 0.1312 0.6673 0.110 Uiso 1 1 calc R . .
C12 C 0.9684(15) 0.0419(8) 0.3953(8) 0.081(3) Uani 1 1 d D . .
C13 C 0.8223(19) 0.5095(18) 0.0462(14) 0.190(4) Uani 1 1 d DU . .
H13 H 0.7439 0.4391 0.0292 0.228 Uiso 1 1 calc R . .
C14 C 0.841(2) 0.5620(18) -0.0450(19) 0.189(4) Uani 1 1 d DU . .
H14 H 0.7750 0.5264 -0.1223 0.227 Uiso 1 1 calc R . .
C15 C 0.957(2) 0.6670(17) -0.0216(19) 0.192(4) Uani 1 1 d DU . .
H15 H 0.9705 0.7027 -0.0818 0.230 Uiso 1 1 calc R . .
C16 C 1.053(2) 0.717(2) 0.0951(18) 0.190(4) Uani 1 1 d DU . .
H16 H 1.1310 0.7877 0.1125 0.228 Uiso 1 1 calc R . .
C17 C 1.0360(18) 0.6652(14) 0.1873(18) 0.187(4) Uani 1 1 d DU . .
H17 H 1.1024 0.7004 0.2644 0.224 Uiso 1 1 calc R . .
C18 C 0.664(4) 0.638(3) 0.290(3) 0.204(6) Uani 0.70 1 d PDU A .
C19 C 0.471(4) 0.621(3) 0.167(3) 0.205(6) Uani 0.70 1 d PDU A 1
H19A H 0.3858 0.6445 0.1304 0.308 Uiso 0.70 1 calc PR A 1
H19B H 0.4457 0.5422 0.1882 0.308 Uiso 0.70 1 calc PR A 1
H19C H 0.5178 0.6136 0.1137 0.308 Uiso 0.70 1 calc PR A 1
C20 C 0.582(4) 0.749(3) 0.167(3) 0.206(6) Uani 0.70 1 d PDU A 2
H20A H 0.5197 0.7990 0.1374 0.309 Uiso 0.70 1 calc PR A 2
H20B H 0.5543 0.6740 0.1082 0.309 Uiso 0.70 1 calc PR A 2
H20C H 0.6801 0.7962 0.1851 0.309 Uiso 0.70 1 calc PR A 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O4 2.351(5) 2_766 ?
Eu1 O6 2.361(5) . ?
Eu1 O5 2.359(5) . ?
Eu1 O3 2.425(5) . ?
Eu1 O2 2.429(5) . ?
Eu1 O1 2.486(6) . ?
Eu1 O7 2.54(3) . ?
Eu1 N4 2.545(14) . ?
Eu1 O4 2.723(6) . ?
Eu1 C1 2.810(9) . ?
Eu1 C5 2.947(8) . ?
Eu1 Eu1 4.0139(7) 2_766 ?
O1 C1 1.264(12) . ?
O2 C1 1.241(12) . ?
O3 C5 1.246(9) . ?
O4 C5 1.270(9) . ?
O4 Eu1 2.351(5) 2_766 ?
O5 C9 1.257(11) . ?
O6 C9 1.273(11) 2_766 ?
O7 O7A 0.53(6) . ?
O7 C18 1.249(5) . ?
O7A C18 1.56(8) . ?
N1 C4 1.449(5) . ?
N2 C7 1.448(5) . ?
N3 C12 1.449(5) . ?
N4 C17 1.382(5) . ?
N4 C13 1.389(5) . ?
N5 C19 1.450(5) . ?
N5 C18 1.450(5) . ?
N5 C20 1.452(5) . ?
C1 C2 1.488(13) . ?
C2 C3 1.382(17) . ?
C2 C4 1.384(17) . ?
C3 C4 1.363(15) 2_655 ?
C3 H3 0.9300 . ?
C4 C3 1.363(15) 2_655 ?
C5 C6 1.491(11) . ?
C6 C8 1.360(11) . ?
C6 C7 1.393(11) . ?
C7 C8 1.379(12) 2_866 ?
C8 C7 1.379(12) 2_866 ?
C8 H8 0.9300 . ?
C9 O6 1.273(11) 2_766 ?
C9 C10 1.502(11) . ?
C10 C12 1.360(12) . ?
C10 C11 1.386(13) . ?
C11 C12 1.388(12) 2_756 ?
C11 H11 0.9300 . ?
C12 C11 1.388(12) 2_756 ?
C13 C14 1.395(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.388(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.389(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.394(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.99(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O6 77.7(2) 2_766 . ?
O4 Eu1 O5 75.4(2) 2_766 . ?
O6 Eu1 O5 133.8(2) . . ?
O4 Eu1 O3 124.3(2) 2_766 . ?
O6 Eu1 O3 90.3(3) . . ?
O5 Eu1 O3 75.3(2) . . ?
O4 Eu1 O2 134.10(19) 2_766 . ?
O6 Eu1 O2 146.0(2) . . ?
O5 Eu1 O2 75.2(2) . . ?
O3 Eu1 O2 80.3(2) . . ?
O4 Eu1 O1 85.1(2) 2_766 . ?
O6 Eu1 O1 140.6(3) . . ?
O5 Eu1 O1 72.9(3) . . ?
O3 Eu1 O1 128.3(2) . . ?
O2 Eu1 O1 52.8(2) . . ?
O4 Eu1 O7 88.1(6) 2_766 . ?
O6 Eu1 O7 72.6(5) . . ?
O5 Eu1 O7 141.9(5) . . ?
O3 Eu1 O7 139.7(5) . . ?
O2 Eu1 O7 93.9(6) . . ?
O1 Eu1 O7 71.6(5) . . ?
O4 Eu1 N4 146.6(3) 2_766 . ?
O6 Eu1 N4 72.3(3) . . ?
O5 Eu1 N4 137.1(3) . . ?
O3 Eu1 N4 70.9(3) . . ?
O2 Eu1 N4 73.8(3) . . ?
O1 Eu1 N4 109.1(4) . . ?
O7 Eu1 N4 69.2(6) . . ?
O4 Eu1 O4 75.66(19) 2_766 . ?
O6 Eu1 O4 68.0(2) . . ?
O5 Eu1 O4 69.4(2) . . ?
O3 Eu1 O4 49.90(17) . . ?
O2 Eu1 O4 124.0(2) . . ?
O1 Eu1 O4 140.8(3) . . ?
O7 Eu1 O4 139.7(5) . . ?
N4 Eu1 O4 105.6(4) . . ?
O4 Eu1 C1 109.9(3) 2_766 . ?
O6 Eu1 C1 154.3(3) . . ?
O5 Eu1 C1 71.3(3) . . ?
O3 Eu1 C1 103.9(3) . . ?
O2 Eu1 C1 26.1(3) . . ?
O1 Eu1 C1 26.7(3) . . ?
O7 Eu1 C1 82.9(6) . . ?
N4 Eu1 C1 91.9(4) . . ?
O4 Eu1 C1 137.3(3) . . ?
O4 Eu1 C5 100.4(2) 2_766 . ?
O6 Eu1 C5 79.3(3) . . ?
O5 Eu1 C5 69.7(2) . . ?
O3 Eu1 C5 24.4(2) . . ?
O2 Eu1 C5 101.5(2) . . ?
O1 Eu1 C5 139.2(3) . . ?
O7 Eu1 C5 148.1(5) . . ?
N4 Eu1 C5 88.4(3) . . ?
O4 Eu1 C5 25.49(19) . . ?
C1 Eu1 C5 121.5(3) . . ?
O4 Eu1 Eu1 41.09(14) 2_766 2_766 ?
O6 Eu1 Eu1 67.72(16) . 2_766 ?
O5 Eu1 Eu1 67.27(14) . 2_766 ?
O3 Eu1 Eu1 83.87(13) . 2_766 ?
O2 Eu1 Eu1 141.9(2) . 2_766 ?
O1 Eu1 Eu1 118.4(2) . 2_766 ?
O7 Eu1 Eu1 119.9(6) . 2_766 ?
N4 Eu1 Eu1 132.1(3) . 2_766 ?
O4 Eu1 Eu1 34.58(11) . 2_766 ?
C1 Eu1 Eu1 134.2(3) . 2_766 ?
C5 Eu1 Eu1 59.54(16) . 2_766 ?
C1 O1 Eu1 91.1(6) . . ?
C1 O2 Eu1 94.3(5) . . ?
C5 O3 Eu1 102.0(5) . . ?
C5 O4 Eu1 161.5(6) . 2_766 ?
C5 O4 Eu1 87.2(4) . . ?
Eu1 O4 Eu1 104.34(19) 2_766 . ?
C9 O5 Eu1 139.3(5) . . ?
C9 O6 Eu1 135.9(6) 2_766 . ?
O7A O7 C18 116(10) . . ?
O7A O7 Eu1 85(10) . . ?
C18 O7 Eu1 124(2) . . ?
O7 O7A C18 46(8) . . ?
C17 N4 C13 119.4(17) . . ?
C17 N4 Eu1 120.8(13) . . ?
C13 N4 Eu1 119.7(13) . . ?
C19 N5 C18 87(3) . . ?
C19 N5 C20 67.8(19) . . ?
C18 N5 C20 96.7(12) . . ?
O2 C1 O1 121.6(8) . . ?
O2 C1 C2 119.8(10) . . ?
O1 C1 C2 118.6(10) . . ?
O2 C1 Eu1 59.5(4) . . ?
O1 C1 Eu1 62.2(4) . . ?
C2 C1 Eu1 175.1(11) . . ?
C3 C2 C4 116.0(10) . . ?
C3 C2 C1 121.1(11) . . ?
C4 C2 C1 122.8(11) . . ?
C4 C3 C2 120.8(12) 2_655 . ?
C4 C3 H3 119.6 2_655 . ?
C2 C3 H3 119.6 . . ?
C3 C4 C2 123.1(13) 2_655 . ?
C3 C4 N1 115(2) 2_655 . ?
C2 C4 N1 121(2) . . ?
O3 C5 O4 120.8(7) . . ?
O3 C5 C6 120.1(7) . . ?
O4 C5 C6 119.1(7) . . ?
O3 C5 Eu1 53.6(4) . . ?
O4 C5 Eu1 67.3(4) . . ?
C6 C5 Eu1 172.7(5) . . ?
C8 C6 C7 118.3(7) . . ?
C8 C6 C5 120.7(7) . . ?
C7 C6 C5 121.0(7) . . ?
C8 C7 C6 118.4(7) 2_866 . ?
C8 C7 N2 119.6(12) 2_866 . ?
C6 C7 N2 121.8(12) . . ?
C6 C8 C7 123.3(8) . 2_866 ?
C6 C8 H8 118.3 . . ?
C7 C8 H8 118.3 2_866 . ?
O5 C9 O6 124.9(8) . 2_766 ?
O5 C9 C10 117.2(8) . . ?
O6 C9 C10 117.8(9) 2_766 . ?
C12 C10 C11 118.7(8) . . ?
C12 C10 C9 121.7(8) . . ?
C11 C10 C9 119.6(8) . . ?
C10 C11 C12 123.0(9) . 2_756 ?
C10 C11 H11 118.5 . . ?
C12 C11 H11 118.5 2_756 . ?
C10 C12 C11 118.3(8) . 2_756 ?
C10 C12 N3 120.8(12) . . ?
C11 C12 N3 120.3(12) 2_756 . ?
N4 C13 C14 121(2) . . ?
N4 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C15 C14 C13 121(2) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 118(2) . . ?
C14 C15 H15 121.2 . . ?
C16 C15 H15 121.2 . . ?
C15 C16 C17 122(2) . . ?
C15 C16 H16 118.8 . . ?
C17 C16 H16 118.8 . . ?
N4 C17 C16 119.1(19) . . ?
N4 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
O7 C18 N5 140(3) . . ?
O7 C18 O7A 18(3) . . ?
N5 C18 O7A 134(4) . . ?
O7 C18 C19 95(3) . . ?
N5 C18 C19 46.7(13) . . ?
O7A C18 C19 88(3) . . ?
N5 C19 C18 46.7(13) . . ?
N5 C19 H19A 109.5 . . ?
C18 C19 H19A 156.1 . . ?
N5 C19 H19B 109.5 . . ?
C18 C19 H19B 82.5 . . ?
H19A C19 H19B 109.5 . . ?
N5 C19 H19C 109.5 . . ?
C18 C19 H19C 84.4 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N5 C20 H20A 109.5 . . ?
N5 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N5 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.633
_refine_diff_density_min         -1.214
_refine_diff_density_rms         0.154

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.031 0.000 -0.031 302 34 ' '
_database_code_depnum_ccdc_archive 'CCDC 941895'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-2hmp

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H14 Eu N2 O7'
_chemical_formula_sum            'C22 H14 Eu N2 O7'
_chemical_formula_weight         570.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.103(3)
_cell_length_b                   13.950(2)
_cell_length_c                   14.2309(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.204(11)
_cell_angle_gamma                90.00
_cell_volume                     5762.2(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2436
_cell_measurement_theta_min      3.0053
_cell_measurement_theta_max      24.9954

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2232
_exptl_absorpt_coefficient_mu    2.211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.59250
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11915
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0818
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5065
_reflns_number_gt                3411
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1246P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5065
_refine_ls_number_parameters     292
_refine_ls_number_restraints     59
_refine_ls_R_factor_all          0.1013
_refine_ls_R_factor_gt           0.0756
_refine_ls_wR_factor_ref         0.2230
_refine_ls_wR_factor_gt          0.2056
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3998(4) 0.2417(9) 0.9668(8) 0.046(3) Uani 1 1 d . . .
C2 C 0.4441(4) 0.2112(10) 0.9278(9) 0.059(4) Uani 1 1 d . . .
C3 C 0.4575(4) 0.1146(11) 0.9304(10) 0.077(5) Uani 1 1 d . . .
H3 H 0.4380 0.0676 0.9513 0.092 Uiso 1 1 calc R . .
C4 C 0.4994(4) 0.0903(11) 0.5989(11) 0.084(5) Uani 1 1 d . . .
H4 H 0.4904 0.0264 0.5965 0.101 Uiso 1 1 calc R . .
C5 C 0.4700(4) 0.1570(10) 0.6311(9) 0.056(3) Uani 1 1 d . . .
C6 C 0.5152(4) 0.2508(11) 0.8625(11) 0.077(4) Uani 1 1 d . . .
H6 H 0.5342 0.2967 0.8381 0.093 Uiso 1 1 calc R . .
C7 C 0.4716(4) 0.2792(10) 0.8920(11) 0.068(4) Uani 1 1 d . . .
H7 H 0.4620 0.3427 0.8870 0.082 Uiso 1 1 calc R . .
C8 C 0.4240(4) 0.1394(11) 0.6596(10) 0.063(4) Uani 1 1 d D . .
C9 C 0.2459(3) 0.4109(8) 0.9115(8) 0.046(3) Uani 1 1 d . . .
C10 C 0.2160(4) 0.4776(9) 0.8551(8) 0.051(3) Uani 1 1 d . . .
C11 C 0.2660(4) 0.0389(8) 0.7120(9) 0.055(3) Uani 1 1 d . . .
H11 H 0.2347 0.0363 0.7214 0.066 Uiso 1 1 calc R . .
C12 C 0.2938(4) 0.1024(9) 0.7639(8) 0.051(3) Uani 1 1 d . . .
C13 C 0.3421(3) 0.1066(9) 0.7501(8) 0.055(3) Uani 1 1 d . . .
H13 H 0.3614 0.1470 0.7868 0.067 Uiso 1 1 calc R . .
C14 C 0.3593(4) 0.0497(9) 0.6815(10) 0.062(4) Uani 1 1 d . . .
C15 C 0.3311(4) -0.0177(9) 0.6315(8) 0.053(3) Uani 1 1 d . . .
H15 H 0.3438 -0.0593 0.5894 0.063 Uiso 1 1 calc R . .
C16 C 0.2763(4) 0.1657(9) 0.8393(9) 0.047(3) Uani 1 1 d . . .
C17 C 0.3402(4) 0.5412(9) 1.0792(12) 0.110(5) Uani 1 1 d DU . .
H17 H 0.3311 0.5496 1.0157 0.132 Uiso 1 1 calc R . .
C18 C 0.3462(5) 0.6221(13) 1.1359(11) 0.124(5) Uani 1 1 d DU . .
H18 H 0.3415 0.6829 1.1101 0.149 Uiso 1 1 calc R . .
C19 C 0.3593(4) 0.6118(11) 1.2310(11) 0.102(4) Uani 1 1 d DU . .
H19 H 0.3631 0.6652 1.2700 0.122 Uiso 1 1 calc R . .
C20 C 0.3667(4) 0.5203(9) 1.2668(10) 0.092(4) Uani 1 1 d DU . .
H20 H 0.3758 0.5101 1.3300 0.110 Uiso 1 1 calc R . .
C21 C 0.3598(3) 0.4445(9) 1.2041(7) 0.080(4) Uani 1 1 d DU . .
C22 C 0.3609(7) 0.3461(8) 1.2457(9) 0.110(5) Uani 1 1 d DU . .
H22A H 0.3886 0.3385 1.2873 0.132 Uiso 1 1 calc R . .
H22B H 0.3345 0.3375 1.2828 0.132 Uiso 1 1 calc R . .
N1 N 0.4063(3) 0.0547(9) 0.6584(8) 0.072(4) Uani 1 1 d . . .
N2 N 0.3469(3) 0.4510(8) 1.1117(7) 0.065(3) Uani 1 1 d D . .
O1 O 0.3760(3) 0.1797(6) 1.0075(6) 0.064(3) Uani 1 1 d . . .
O2 O 0.3870(2) 0.3281(6) 0.9566(5) 0.0442(18) Uani 1 1 d . . .
O3 O 0.2882(2) 0.4299(5) 0.9234(6) 0.051(2) Uani 1 1 d . . .
O4 O 0.2702(2) 0.1603(5) 1.0511(5) 0.0419(17) Uani 1 1 d . . .
O5 O 0.3023(2) 0.2271(6) 0.8754(5) 0.0471(19) Uani 1 1 d . . .
O6 O 0.2349(3) 0.1489(6) 0.8569(6) 0.061(2) Uani 1 1 d . . .
O7 O 0.3600(4) 0.2745(7) 1.1723(6) 0.080(3) Uani 1 1 d DU . .
H16 H 0.402(4) 0.191(7) 0.671(11) 0.096 Uiso 1 1 d D . .
Eu1 Eu 0.313795(15) 0.30007(4) 1.02528(3) 0.0365(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.267(14) . ?
C1 O1 1.274(13) . ?
C1 C2 1.501(14) . ?
C1 Eu1 2.816(10) . ?
C2 C7 1.363(17) . ?
C2 C3 1.403(18) . ?
C3 C4 1.391(16) 2_656 ?
C3 H3 0.9300 . ?
C4 C5 1.367(17) . ?
C4 C3 1.391(16) 2_656 ?
C4 H4 0.9300 . ?
C5 C6 1.379(19) 2_656 ?
C5 C8 1.447(14) . ?
C6 C5 1.379(19) 2_656 ?
C6 C7 1.423(15) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.290(16) . ?
C8 H16 1.00(2) . ?
C9 O4 1.235(12) 7_557 ?
C9 O3 1.260(12) . ?
C9 C10 1.471(15) . ?
C9 Eu1 2.908(11) . ?
C10 C15 1.400(14) 4_556 ?
C10 C11 1.411(15) 4_556 ?
C11 C12 1.377(15) . ?
C11 C10 1.411(15) 4_546 ?
C11 H11 0.9300 . ?
C12 C13 1.433(14) . ?
C12 C16 1.507(14) . ?
C13 C14 1.380(15) . ?
C13 H13 0.9300 . ?
C14 C15 1.407(16) . ?
C14 N1 1.431(13) . ?
C15 C10 1.400(14) 4_546 ?
C15 H15 0.9300 . ?
C16 O5 1.231(13) . ?
C16 O6 1.269(12) . ?
C17 N2 1.350(5) . ?
C17 C18 1.392(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.387(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.385(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.388(5) . ?
C20 H20 0.9300 . ?
C21 N2 1.345(5) . ?
C21 C22 1.494(5) . ?
C22 O7 1.445(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
N2 Eu1 2.588(10) . ?
O1 Eu1 2.496(8) . ?
O2 Eu1 2.439(6) . ?
O3 Eu1 2.404(8) . ?
O4 C9 1.235(13) 7_557 ?
O4 Eu1 2.369(7) . ?
O4 Eu1 2.660(7) 7_557 ?
O5 Eu1 2.364(8) . ?
O6 Eu1 2.382(7) 7_557 ?
O7 Eu1 2.429(8) . ?
Eu1 O6 2.382(7) 7_557 ?
Eu1 O4 2.660(7) 7_557 ?
Eu1 Eu1 3.9831(10) 7_557 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 C1 O1 122.2(9) . . ?
O2 C1 C2 118.8(10) . . ?
O1 C1 C2 119.1(11) . . ?
O2 C1 Eu1 59.8(5) . . ?
O1 C1 Eu1 62.4(5) . . ?
C2 C1 Eu1 175.6(8) . . ?
C7 C2 C3 120.5(10) . . ?
C7 C2 C1 118.9(12) . . ?
C3 C2 C1 120.5(11) . . ?
C4 C3 C2 118.8(12) 2_656 . ?
C4 C3 H3 120.6 2_656 . ?
C2 C3 H3 120.6 . . ?
C5 C4 C3 122.4(13) . 2_656 ?
C5 C4 H4 118.8 . . ?
C3 C4 H4 118.8 2_656 . ?
C4 C5 C6 117.8(10) . 2_656 ?
C4 C5 C8 126.4(12) . . ?
C6 C5 C8 115.7(12) 2_656 . ?
C5 C6 C7 121.8(12) 2_656 . ?
C5 C6 H6 119.1 2_656 . ?
C7 C6 H6 119.1 . . ?
C2 C7 C6 118.5(12) . . ?
C2 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
N1 C8 C5 121.9(12) . . ?
N1 C8 H16 114(8) . . ?
C5 C8 H16 124(8) . . ?
O4 C9 O3 120.6(10) 7_557 . ?
O4 C9 C10 121.1(9) 7_557 . ?
O3 C9 C10 118.3(10) . . ?
O4 C9 Eu1 66.1(6) 7_557 . ?
O3 C9 Eu1 54.4(6) . . ?
C10 C9 Eu1 172.3(8) . . ?
C15 C10 C11 118.7(10) 4_556 4_556 ?
C15 C10 C9 120.0(10) 4_556 . ?
C11 C10 C9 121.2(9) 4_556 . ?
C12 C11 C10 121.3(10) . 4_546 ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 4_546 . ?
C11 C12 C13 119.7(10) . . ?
C11 C12 C16 122.8(9) . . ?
C13 C12 C16 117.4(10) . . ?
C14 C13 C12 119.0(10) . . ?
C14 C13 H13 120.5 . . ?
C12 C13 H13 120.5 . . ?
C13 C14 C15 120.9(9) . . ?
C13 C14 N1 122.6(11) . . ?
C15 C14 N1 116.5(10) . . ?
C10 C15 C14 120.2(10) 4_546 . ?
C10 C15 H15 119.9 4_546 . ?
C14 C15 H15 119.9 . . ?
O5 C16 O6 127.5(10) . . ?
O5 C16 C12 118.3(9) . . ?
O6 C16 C12 114.1(10) . . ?
N2 C17 C18 123.3(17) . . ?
N2 C17 H17 118.4 . . ?
C18 C17 H17 118.4 . . ?
C19 C18 C17 119.7(19) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C18 118.6(17) . . ?
C20 C19 H19 120.7 . . ?
C18 C19 H19 120.7 . . ?
C19 C20 C21 117.1(15) . . ?
C19 C20 H20 121.4 . . ?
C21 C20 H20 121.4 . . ?
N2 C21 C20 126.4(13) . . ?
N2 C21 C22 116.5(11) . . ?
C20 C21 C22 116.6(10) . . ?
O7 C22 C21 110.4(11) . . ?
O7 C22 H22A 109.6 . . ?
C21 C22 H22A 109.6 . . ?
O7 C22 H22B 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C8 N1 C14 115.4(10) . . ?
C21 N2 C17 114.9(13) . . ?
C21 N2 Eu1 118.5(8) . . ?
C17 N2 Eu1 123.8(9) . . ?
C1 O1 Eu1 90.7(6) . . ?
C1 O2 Eu1 93.5(6) . . ?
C9 O3 Eu1 100.3(7) . . ?
C9 O4 Eu1 162.3(8) 7_557 . ?
C9 O4 Eu1 88.7(6) 7_557 7_557 ?
Eu1 O4 Eu1 104.6(3) . 7_557 ?
C16 O5 Eu1 135.9(7) . . ?
C16 O6 Eu1 134.9(8) . 7_557 ?
C22 O7 Eu1 120.1(9) . . ?
O5 Eu1 O4 75.2(3) . . ?
O5 Eu1 O6 135.3(3) . 7_557 ?
O4 Eu1 O6 77.5(3) . 7_557 ?
O5 Eu1 O3 76.3(3) . . ?
O4 Eu1 O3 124.6(3) . . ?
O6 Eu1 O3 91.4(3) 7_557 . ?
O5 Eu1 O7 138.3(3) . . ?
O4 Eu1 O7 90.9(3) . . ?
O6 Eu1 O7 76.0(3) 7_557 . ?
O3 Eu1 O7 139.2(3) . . ?
O5 Eu1 O2 77.2(2) . . ?
O4 Eu1 O2 133.4(2) . . ?
O6 Eu1 O2 144.7(3) 7_557 . ?
O3 Eu1 O2 83.0(2) . . ?
O7 Eu1 O2 85.6(3) . . ?
O5 Eu1 O1 71.0(3) . . ?
O4 Eu1 O1 82.1(3) . . ?
O6 Eu1 O1 138.2(3) 7_557 . ?
O3 Eu1 O1 129.9(2) . . ?
O7 Eu1 O1 68.2(3) . . ?
O2 Eu1 O1 53.6(3) . . ?
O5 Eu1 N2 143.3(3) . . ?
O4 Eu1 N2 141.3(3) . . ?
O6 Eu1 N2 69.0(3) 7_557 . ?
O3 Eu1 N2 76.2(3) . . ?
O7 Eu1 N2 63.0(3) . . ?
O2 Eu1 N2 75.8(3) . . ?
O1 Eu1 N2 110.4(3) . . ?
O5 Eu1 O4 69.9(2) . 7_557 ?
O4 Eu1 O4 75.4(3) . 7_557 ?
O6 Eu1 O4 69.5(3) 7_557 7_557 ?
O3 Eu1 O4 50.4(2) . 7_557 ?
O7 Eu1 O4 144.8(3) . 7_557 ?
O2 Eu1 O4 127.3(2) . 7_557 ?
O1 Eu1 O4 138.6(3) . 7_557 ?
N2 Eu1 O4 108.9(3) . 7_557 ?
O5 Eu1 C1 71.3(3) . . ?
O4 Eu1 C1 107.8(3) . . ?
O6 Eu1 C1 151.9(3) 7_557 . ?
O3 Eu1 C1 106.4(3) . . ?
O7 Eu1 C1 76.3(3) . . ?
O2 Eu1 C1 26.7(3) . . ?
O1 Eu1 C1 26.9(3) . . ?
N2 Eu1 C1 93.9(3) . . ?
O4 Eu1 C1 138.5(3) 7_557 . ?
O5 Eu1 C9 71.4(3) . . ?
O4 Eu1 C9 100.0(3) . . ?
O6 Eu1 C9 79.5(3) 7_557 . ?
O3 Eu1 C9 25.2(3) . . ?
O7 Eu1 C9 150.3(3) . . ?
O2 Eu1 C9 105.7(3) . . ?
O1 Eu1 C9 140.4(3) . . ?
N2 Eu1 C9 92.6(3) . . ?
O4 Eu1 C9 25.1(2) 7_557 . ?
C1 Eu1 C9 124.9(3) . . ?
O5 Eu1 Eu1 67.53(16) . 7_557 ?
O4 Eu1 Eu1 40.25(17) . 7_557 ?
O6 Eu1 Eu1 68.71(19) 7_557 7_557 ?
O3 Eu1 Eu1 84.94(17) . 7_557 ?
O7 Eu1 Eu1 123.7(3) . 7_557 ?
O2 Eu1 Eu1 144.46(18) . 7_557 ?
O1 Eu1 Eu1 114.8(2) . 7_557 ?
N2 Eu1 Eu1 132.88(19) . 7_557 ?
O4 Eu1 Eu1 35.14(15) 7_557 7_557 ?
C1 Eu1 Eu1 133.0(3) . 7_557 ?
C9 Eu1 Eu1 59.9(2) . 7_557 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.807
_refine_diff_density_min         -4.909
_refine_diff_density_rms         0.204

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.004 -0.008 0.004 2368 543 ' '
_database_code_depnum_ccdc_archive 'CCDC 941896'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-2hp

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H36 Eu2 N3 O18'
_chemical_formula_sum            'C49 H36 Eu2 N3 O18'
_chemical_formula_weight         1258.73

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   28.2573(18)
_cell_length_b                   14.6878(9)
_cell_length_c                   13.6390(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.327(7)
_cell_angle_gamma                90.00
_cell_volume                     5585.9(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3103
_cell_measurement_theta_min      3.0210
_cell_measurement_theta_max      29.0323

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2484
_exptl_absorpt_coefficient_mu    2.294
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.73729
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13447
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0597
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4918
_reflns_number_gt                3534
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1021P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4918
_refine_ls_number_parameters     356
_refine_ls_number_restraints     128
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_ref         0.1677
_refine_ls_wR_factor_gt          0.1518
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4049(3) 0.2589(8) 0.9747(7) 0.056(2) Uani 1 1 d . . .
C2 C 0.4493(3) 0.2863(7) 0.9367(8) 0.062(3) Uani 1 1 d . . .
C3 C 0.4785(5) 0.2185(8) 0.9033(11) 0.101(5) Uani 1 1 d . . .
H3 H 0.4692 0.1578 0.9030 0.121 Uiso 1 1 calc R . .
C4 C 0.5200(5) 0.2412(9) 0.8716(11) 0.102(5) Uani 1 1 d . . .
H4 H 0.5387 0.1961 0.8491 0.122 Uiso 1 1 calc R . .
C5 C 0.5351(4) 0.3338(9) 0.8727(8) 0.081(3) Uani 1 1 d . . .
C6 C 0.5050(4) 0.4022(9) 0.9018(9) 0.088(4) Uani 1 1 d . . .
H6 H 0.5130 0.4634 0.8987 0.105 Uiso 1 1 calc R . .
C7 C 0.4623(4) 0.3751(8) 0.9357(8) 0.080(3) Uani 1 1 d . . .
H7 H 0.4429 0.4191 0.9577 0.096 Uiso 1 1 calc R . .
C8 C 0.5826(4) 0.3507(9) 0.8455(9) 0.084(4) Uani 1 1 d D . .
C9 C 0.2509(3) 0.0968(5) 0.9082(6) 0.045(2) Uani 1 1 d . . .
C10 C 0.2199(3) 0.0276(5) 0.8506(6) 0.0401(18) Uani 1 1 d . . .
C11 C 0.2378(3) -0.0280(5) 0.7845(6) 0.0426(19) Uani 1 1 d . . .
H11 H 0.2695 -0.0217 0.7752 0.051 Uiso 1 1 calc R . .
C12 C 0.2090(3) -0.0932(6) 0.7316(6) 0.052(2) Uani 1 1 d . . .
C13 C 0.1606(3) -0.1035(7) 0.7456(6) 0.061(3) Uani 1 1 d . . .
H13 H 0.1408 -0.1458 0.7086 0.074 Uiso 1 1 calc R . .
C14 C 0.6432(3) 0.4513(6) 0.8166(7) 0.059(3) Uani 1 1 d . . .
C15 C 0.1719(3) 0.0180(6) 0.8648(6) 0.048(2) Uani 1 1 d . . .
H15 H 0.1595 0.0574 0.9076 0.057 Uiso 1 1 calc R . .
C16 C 0.2275(3) -0.1538(7) 0.6597(7) 0.061(3) Uani 1 1 d . . .
C20 C 0.3802(14) 0.010(3) 1.098(3) 0.307(11) Uani 1 1 d DU . .
H20A H 0.4127 0.0055 1.1340 0.369 Uiso 1 1 calc R . .
H20B H 0.3827 0.0157 1.0281 0.369 Uiso 1 1 calc R . .
C21 C 0.3553(12) -0.078(2) 1.111(3) 0.305(9) Uani 1 1 d DU . .
C22 C 0.3494(11) -0.114(2) 1.203(3) 0.291(9) Uani 1 1 d DU . .
C23 C 0.3118(11) -0.1752(19) 1.180(3) 0.299(9) Uani 1 1 d DU . .
H23 H 0.3054 -0.2024 1.2384 0.359 Uiso 1 1 calc R . .
C24 C 0.2806(13) -0.209(2) 1.099(3) 0.328(10) Uani 1 1 d DU . .
H24 H 0.2567 -0.2528 1.1010 0.393 Uiso 1 1 calc R . .
C25 C 0.2917(14) -0.167(2) 1.015(3) 0.325(10) Uani 1 1 d DU . .
H25 H 0.2743 -0.1813 0.9530 0.390 Uiso 1 1 calc R . .
C26 C 0.3283(14) -0.103(3) 1.020(3) 0.314(10) Uani 1 1 d DU . .
H26 H 0.3348 -0.0755 0.9625 0.376 Uiso 1 1 calc R . .
N1 N 0.5969(3) 0.4386(6) 0.8393(6) 0.068(2) Uani 1 1 d . . .
O1 O 0.3874(2) 0.1807(4) 0.9539(5) 0.0631(18) Uani 1 1 d . . .
O2 O 0.3859(2) 0.3137(5) 1.0266(6) 0.082(2) Uani 1 1 d . . .
O3 O 0.29551(19) 0.0846(4) 0.9245(4) 0.0498(14) Uani 1 1 d . . .
O4 O 0.2674(2) 0.3353(4) 1.0564(4) 0.0512(14) Uani 1 1 d . . .
O5 O 0.3009(2) 0.2863(4) 0.8827(5) 0.064(2) Uani 1 1 d . . .
O6 O 0.2697(2) 0.1433(4) 1.1460(5) 0.0632(18) Uani 1 1 d . . .
O7 O 0.3546(14) 0.265(2) 1.208(3) 0.101(9) Uani 0.50 1 d PDU . .
O7A O 0.3503(13) 0.255(3) 1.2028(16) 0.108(10) Uani 0.50 1 d PU . .
O8 O 0.3632(3) 0.0836(6) 1.1235(6) 0.098(3) Uani 1 1 d . . .
O9 O 0.3769(8) -0.0627(16) 1.2836(17) 0.285(8) Uani 1 1 d DU . .
H9 H 0.3720 -0.0833 1.3370 0.428 Uiso 1 1 calc R . .
C17 C 0.3318(13) 0.293(2) 1.273(2) 0.147(8) Uani 0.50 1 d PDU A .
N2 N 0.3606(11) 0.345(2) 1.352(2) 0.150(7) Uani 0.50 1 d PDU . .
C18 C 0.3788(14) 0.393(2) 1.443(2) 0.159(10) Uani 0.50 1 d PDU A 1
H18A H 0.4024 0.4367 1.4303 0.239 Uiso 0.50 1 calc PR A 1
H18B H 0.3932 0.3505 1.4922 0.239 Uiso 0.50 1 calc PR A 1
H18C H 0.3530 0.4241 1.4665 0.239 Uiso 0.50 1 calc PR A 1
C19 C 0.3234(13) 0.391(3) 1.395(3) 0.168(10) Uani 0.50 1 d PDU A 2
H19A H 0.3380 0.4294 1.4486 0.251 Uiso 0.50 1 calc PR A 2
H19B H 0.3034 0.3468 1.4200 0.251 Uiso 0.50 1 calc PR A 2
H19C H 0.3043 0.4276 1.3453 0.251 Uiso 0.50 1 calc PR A 2
H16 H 0.599(7) 0.316(11) 0.906(9) 0.201 Uiso 1 1 d D . .
Eu1 Eu 0.317883(12) 0.21057(2) 1.03755(3) 0.03519(18) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.249(11) . ?
C1 O1 1.265(12) . ?
C1 C2 1.488(12) . ?
C1 Eu1 2.822(9) . ?
C2 C7 1.356(14) . ?
C2 C3 1.417(15) . ?
C3 C4 1.354(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.424(18) . ?
C4 H4 0.9300 . ?
C5 C6 1.414(16) . ?
C5 C8 1.472(14) . ?
C6 C7 1.416(13) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.360(14) . ?
C8 H16 1.01(2) . ?
C9 O3 1.256(10) . ?
C9 O4 1.257(9) 7_557 ?
C9 C10 1.482(11) . ?
C9 Eu1 2.898(9) . ?
C10 C11 1.373(10) . ?
C10 C15 1.406(10) . ?
C11 C12 1.383(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.417(11) . ?
C12 C16 1.482(11) . ?
C13 C14 1.408(11) 3_445 ?
C13 H13 0.9300 . ?
C14 C15 1.369(11) 3 ?
C14 N1 1.405(10) . ?
C14 C13 1.408(11) 3 ?
C15 C14 1.369(11) 3_445 ?
C15 H15 0.9300 . ?
C16 O6 1.244(10) 6 ?
C16 O5 1.267(10) 4_546 ?
C20 O8 1.25(4) . ?
C20 C21 1.506(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C26 1.391(5) . ?
C21 C22 1.394(5) . ?
C22 C23 1.388(5) . ?
C22 O9 1.449(5) . ?
C23 C24 1.394(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.392(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.390(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
O1 Eu1 2.465(6) . ?
O2 Eu1 2.471(6) . ?
O3 Eu1 2.426(5) . ?
O4 C9 1.257(9) 7_557 ?
O4 Eu1 2.360(6) . ?
O4 Eu1 2.627(6) 7_557 ?
O5 C16 1.267(10) 4_556 ?
O5 Eu1 2.366(6) . ?
O6 C16 1.244(10) 6_556 ?
O6 Eu1 2.382(5) . ?
O7 C17 1.251(5) . ?
O7 Eu1 2.52(4) . ?
O7A C17 1.29(6) . ?
O7A Eu1 2.38(2) . ?
O8 Eu1 2.451(7) . ?
O9 H9 0.8200 . ?
C17 N2 1.450(5) . ?
N2 C18 1.449(5) . ?
N2 C19 1.452(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
Eu1 O4 2.627(6) 7_557 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 C1 O1 121.6(8) . . ?
O2 C1 C2 119.1(10) . . ?
O1 C1 C2 119.3(8) . . ?
O2 C1 Eu1 61.0(5) . . ?
O1 C1 Eu1 60.7(4) . . ?
C2 C1 Eu1 177.0(7) . . ?
C7 C2 C3 119.9(9) . . ?
C7 C2 C1 120.7(9) . . ?
C3 C2 C1 119.4(9) . . ?
C4 C3 C2 120.7(11) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.3(12) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 119.3(9) . . ?
C6 C5 C8 124.4(11) . . ?
C4 C5 C8 116.2(11) . . ?
C5 C6 C7 118.3(11) . . ?
C5 C6 H6 120.9 . . ?
C7 C6 H6 120.9 . . ?
C2 C7 C6 121.4(10) . . ?
C2 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
N1 C8 C5 118.0(11) . . ?
N1 C8 H16 116(10) . . ?
C5 C8 H16 91(10) . . ?
O3 C9 O4 120.7(8) . 7_557 ?
O3 C9 C10 119.1(7) . . ?
O4 C9 C10 120.1(7) 7_557 . ?
O3 C9 Eu1 55.8(4) . . ?
O4 C9 Eu1 65.0(4) 7_557 . ?
C10 C9 Eu1 171.8(6) . . ?
C11 C10 C15 119.8(7) . . ?
C11 C10 C9 120.4(6) . . ?
C15 C10 C9 119.8(7) . . ?
C10 C11 C12 120.4(7) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C13 120.2(7) . . ?
C11 C12 C16 121.3(7) . . ?
C13 C12 C16 118.5(8) . . ?
C14 C13 C12 118.9(8) 3_445 . ?
C14 C13 H13 120.6 3_445 . ?
C12 C13 H13 120.6 . . ?
C15 C14 N1 119.3(7) 3 . ?
C15 C14 C13 119.5(7) 3 3 ?
N1 C14 C13 121.2(8) . 3 ?
C14 C15 C10 121.0(7) 3_445 . ?
C14 C15 H15 119.5 3_445 . ?
C10 C15 H15 119.5 . . ?
O6 C16 O5 124.6(8) 6 4_546 ?
O6 C16 C12 118.4(8) 6 . ?
O5 C16 C12 116.9(7) 4_546 . ?
O8 C20 C21 120(3) . . ?
O8 C20 H20A 107.3 . . ?
C21 C20 H20A 107.3 . . ?
O8 C20 H20B 107.3 . . ?
C21 C20 H20B 107.3 . . ?
H20A C20 H20B 106.9 . . ?
C26 C21 C22 125(3) . . ?
C26 C21 C20 108(4) . . ?
C22 C21 C20 124(4) . . ?
C23 C22 C21 104(3) . . ?
C23 C22 O9 143(4) . . ?
C21 C22 O9 111(4) . . ?
C22 C23 C24 141(4) . . ?
C22 C23 H23 109.6 . . ?
C24 C23 H23 109.6 . . ?
C25 C24 C23 107(4) . . ?
C25 C24 H24 126.4 . . ?
C23 C24 H24 126.4 . . ?
C26 C25 C24 122(4) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C25 C26 C21 121(4) . . ?
C25 C26 H26 119.4 . . ?
C21 C26 H26 119.4 . . ?
C8 N1 C14 115.9(8) . . ?
C1 O1 Eu1 92.7(5) . . ?
C1 O2 Eu1 92.8(6) . . ?
C9 O3 Eu1 98.9(5) . . ?
C9 O4 Eu1 162.2(6) 7_557 . ?
C9 O4 Eu1 89.3(5) 7_557 7_557 ?
Eu1 O4 Eu1 105.7(2) . 7_557 ?
C16 O5 Eu1 139.1(6) 4_556 . ?
C16 O6 Eu1 134.4(6) 6_556 . ?
C17 O7 Eu1 125(3) . . ?
C17 O7A Eu1 133(3) . . ?
C20 O8 Eu1 135.7(19) . . ?
C22 O9 H9 109.5 . . ?
O7 C17 O7A 9(3) . . ?
O7 C17 N2 114(3) . . ?
O7A C17 N2 122(3) . . ?
C17 N2 C18 165(3) . . ?
C17 N2 C19 101(3) . . ?
C18 N2 C19 67(2) . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O4 Eu1 O5 72.2(2) . . ?
O4 Eu1 O6 80.7(2) . . ?
O5 Eu1 O6 134.1(2) . . ?
O4 Eu1 O3 124.1(2) . . ?
O5 Eu1 O3 78.3(2) . . ?
O6 Eu1 O3 87.8(2) . . ?
O4 Eu1 O7A 80.2(10) . . ?
O5 Eu1 O7A 134.9(9) . . ?
O6 Eu1 O7A 72.4(9) . . ?
O3 Eu1 O7A 146.3(10) . . ?
O4 Eu1 O7 79.6(7) . . ?
O5 Eu1 O7 132.0(8) . . ?
O6 Eu1 O7 75.5(9) . . ?
O3 Eu1 O7 148.7(7) . . ?
O7A Eu1 O7 3.2(17) . . ?
O4 Eu1 O8 144.7(2) . . ?
O5 Eu1 O8 143.1(2) . . ?
O6 Eu1 O8 72.2(2) . . ?
O3 Eu1 O8 77.6(3) . . ?
O7A Eu1 O8 70.5(10) . . ?
O7 Eu1 O8 72.2(7) . . ?
O4 Eu1 O1 136.8(2) . . ?
O5 Eu1 O1 74.4(2) . . ?
O6 Eu1 O1 142.4(2) . . ?
O3 Eu1 O1 73.5(2) . . ?
O7A Eu1 O1 105.9(9) . . ?
O7 Eu1 O1 104.2(9) . . ?
O8 Eu1 O1 72.1(2) . . ?
O4 Eu1 O2 91.2(2) . . ?
O5 Eu1 O2 72.8(3) . . ?
O6 Eu1 O2 145.2(2) . . ?
O3 Eu1 O2 123.7(2) . . ?
O7A Eu1 O2 72.9(9) . . ?
O7 Eu1 O2 69.7(9) . . ?
O8 Eu1 O2 98.3(3) . . ?
O1 Eu1 O2 52.8(2) . . ?
O4 Eu1 O4 74.3(2) . 7_557 ?
O5 Eu1 O4 69.4(2) . 7_557 ?
O6 Eu1 O4 67.9(2) . 7_557 ?
O3 Eu1 O4 51.00(17) . 7_557 ?
O7A Eu1 O4 135.5(9) . 7_557 ?
O7 Eu1 O4 137.7(9) . 7_557 ?
O8 Eu1 O4 113.9(3) . 7_557 ?
O1 Eu1 O4 117.7(2) . 7_557 ?
O2 Eu1 O4 142.1(3) . 7_557 ?
O4 Eu1 C1 114.1(3) . . ?
O5 Eu1 C1 70.8(2) . . ?
O6 Eu1 C1 155.1(2) . . ?
O3 Eu1 C1 98.6(3) . . ?
O7A Eu1 C1 89.9(9) . . ?
O7 Eu1 C1 87.3(9) . . ?
O8 Eu1 C1 85.6(3) . . ?
O1 Eu1 C1 26.6(3) . . ?
O2 Eu1 C1 26.2(3) . . ?
O4 Eu1 C1 133.8(2) 7_557 . ?
O4 Eu1 C9 99.6(2) . . ?
O5 Eu1 C9 73.1(2) . . ?
O6 Eu1 C9 75.9(2) . . ?
O3 Eu1 C9 25.35(19) . . ?
O7A Eu1 C9 147.9(9) . . ?
O7 Eu1 C9 151.1(9) . . ?
O8 Eu1 C9 95.2(3) . . ?
O1 Eu1 C9 96.1(2) . . ?
O2 Eu1 C9 138.9(2) . . ?
O4 Eu1 C9 25.69(19) 7_557 . ?
C1 Eu1 C9 118.3(3) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.868
_refine_diff_density_min         -0.926
_refine_diff_density_rms         0.156

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 -0.008 548 91 ' '
2 0.500 1.000 -0.014 548 91 ' '

# start Validation Reply Form
_vrf_PLAT241_UCY-8-2hp           
;
RESPONSE: This is due to the severe disorder of this 
atom, which could not eliminated although 
we have applied several restaints to limit it. 
;
_vrf_PLAT411_UCY-8-2hp           
;
RESPONSE:These H atoms are attached to severely disordered C atoms,
for which the disorder could not eliminated although 
we have applied several restaints to limit it, 
and this disorder results in unusual H-H distances.
;

_database_code_depnum_ccdc_archive 'CCDC 941897'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-2mIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H19 Eu N4 O7'
_chemical_formula_sum            'C23 H19 Eu N4 O7'
_chemical_formula_weight         615.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.974(3)
_cell_length_b                   12.4213(10)
_cell_length_c                   14.3039(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.371(7)
_cell_angle_gamma                90.00
_cell_volume                     5316.4(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3079
_cell_measurement_theta_min      2.9186
_cell_measurement_theta_max      29.1088

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2432
_exptl_absorpt_coefficient_mu    2.405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.87914
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13921
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         26.50
_reflns_number_total             5507
_reflns_number_gt                4087
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0769P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5507
_refine_ls_number_parameters     319
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0538
_refine_ls_wR_factor_ref         0.1422
_refine_ls_wR_factor_gt          0.1312
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.311470(10) 0.31118(3) 0.53558(2) 0.01814(13) Uani 1 1 d . . .
C1 C 0.3968(2) 0.2686(7) 0.4714(5) 0.0282(17) Uani 1 1 d . . .
C2 C 0.4417(2) 0.2455(7) 0.4358(5) 0.0294(17) Uani 1 1 d . . .
C3 C 0.4567(3) 0.1395(8) 0.4285(5) 0.041(2) Uani 1 1 d . . .
H3 H 0.4381 0.0829 0.4434 0.049 Uiso 1 1 calc R . .
C4 C 0.4991(3) 0.1181(8) 0.3994(6) 0.043(2) Uani 1 1 d . . .
H4 H 0.5086 0.0473 0.3932 0.051 Uiso 1 1 calc R . .
C5 C 0.5273(3) 0.2016(7) 0.3795(5) 0.0359(19) Uani 1 1 d . . .
C6 C 0.5124(3) 0.3082(7) 0.3854(6) 0.039(2) Uani 1 1 d . . .
H6 H 0.5310 0.3646 0.3697 0.046 Uiso 1 1 calc R . .
C7 C 0.4698(3) 0.3301(7) 0.4148(5) 0.038(2) Uani 1 1 d . . .
H7 H 0.4602 0.4009 0.4204 0.045 Uiso 1 1 calc R . .
C8 C 0.5739(3) 0.1851(7) 0.3570(6) 0.038(2) Uani 1 1 d D . .
C9 C 0.2428(2) 0.4433(6) 0.4377(4) 0.0188(14) Uani 1 1 d . . .
C10 C 0.2111(2) 0.5139(6) 0.3808(4) 0.0220(15) Uani 1 1 d . . .
C11 C 0.1653(2) 0.5168(6) 0.3928(4) 0.0227(15) Uani 1 1 d . . .
H11 H 0.1530 0.4720 0.4366 0.027 Uiso 1 1 calc R . .
C12 C 0.1382(2) 0.5861(6) 0.3396(5) 0.0259(16) Uani 1 1 d . . .
C13 C 0.1557(2) 0.6426(6) 0.2672(5) 0.0269(16) Uani 1 1 d . . .
H13 H 0.1370 0.6845 0.2278 0.032 Uiso 1 1 calc R . .
C14 C 0.2007(2) 0.6374(6) 0.2526(4) 0.0205(14) Uani 1 1 d . . .
C15 C 0.2288(2) 0.5753(5) 0.3114(4) 0.0186(13) Uani 1 1 d . . .
H15 H 0.2594 0.5750 0.3041 0.022 Uiso 1 1 calc R . .
C16 C 0.2208(2) 0.6932(6) 0.1726(4) 0.0225(15) Uani 1 1 d . . .
C17 C 0.3383(4) 0.2843(11) 0.7647(9) 0.081(2) Uani 1 1 d U . .
C18 C 0.3453(4) 0.2901(10) 0.9371(8) 0.087(2) Uani 1 1 d U . .
H18A H 0.3530 0.2446 0.9898 0.130 Uiso 1 1 calc R . .
H18B H 0.3152 0.3153 0.9407 0.130 Uiso 1 1 calc R . .
H18C H 0.3653 0.3505 0.9376 0.130 Uiso 1 1 calc R . .
C19 C 0.3613(4) 0.1119(11) 0.8527(9) 0.091(2) Uani 1 1 d U . .
H19A H 0.3666 0.0895 0.9166 0.136 Uiso 1 1 calc R . .
H19B H 0.3879 0.1011 0.8196 0.136 Uiso 1 1 calc R . .
H19C H 0.3373 0.0703 0.8236 0.136 Uiso 1 1 calc R . .
C20 C 0.3175(2) 0.5493(6) 0.6761(4) 0.0283(16) Uani 1 1 d . . .
C21 C 0.3849(3) 0.5382(7) 0.7491(5) 0.0365(19) Uani 1 1 d . . .
H21 H 0.4094 0.5493 0.7909 0.044 Uiso 1 1 calc R . .
C22 C 0.3828(3) 0.4713(7) 0.6733(5) 0.0352(19) Uani 1 1 d . . .
H22 H 0.4062 0.4289 0.6543 0.042 Uiso 1 1 calc R . .
C23 C 0.2726(3) 0.5896(7) 0.6531(5) 0.039(2) Uani 1 1 d . . .
H23A H 0.2648 0.6409 0.6996 0.059 Uiso 1 1 calc R . .
H23B H 0.2518 0.5308 0.6517 0.059 Uiso 1 1 calc R . .
H23C H 0.2717 0.6238 0.5928 0.059 Uiso 1 1 calc R . .
N1 N 0.5924(2) 0.0905(6) 0.3602(4) 0.0333(16) Uani 1 1 d . . .
N2 N 0.3490(3) 0.2285(9) 0.8499(7) 0.0828(19) Uani 1 1 d U . .
N3 N 0.34055(19) 0.4764(5) 0.6288(4) 0.0253(13) Uani 1 1 d . . .
N4 N 0.3435(2) 0.5861(5) 0.7516(4) 0.0339(15) Uani 1 1 d . . .
O1 O 0.37425(17) 0.1931(4) 0.5020(4) 0.0352(13) Uani 1 1 d . . .
O2 O 0.38209(15) 0.3637(4) 0.4684(3) 0.0282(11) Uani 1 1 d . . .
O3 O 0.22768(15) 0.3552(4) 0.4698(3) 0.0222(10) Uani 1 1 d . . .
O4 O 0.28225(15) 0.4686(4) 0.4501(3) 0.0228(10) Uani 1 1 d . . .
O5 O 0.30353(15) 0.2626(4) 0.3714(3) 0.0217(10) Uani 1 1 d . . .
O6 O 0.25952(16) 0.3307(4) 0.6550(3) 0.0296(12) Uani 1 1 d . . .
O7 O 0.34381(19) 0.2377(5) 0.6826(4) 0.0459(14) Uani 1 1 d U . .
H16 H 0.588(3) 0.258(4) 0.347(6) 0.055 Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O3 2.375(5) 7_556 ?
Eu1 O6 2.390(5) . ?
Eu1 O5 2.423(4) . ?
Eu1 O4 2.441(4) . ?
Eu1 O7 2.441(5) . ?
Eu1 O1 2.456(5) . ?
Eu1 O2 2.464(5) . ?
Eu1 N3 2.571(6) . ?
Eu1 O3 2.686(5) . ?
Eu1 C1 2.817(7) . ?
Eu1 C9 2.924(7) . ?
C1 O1 1.250(9) . ?
C1 O2 1.260(9) . ?
C1 C2 1.496(10) . ?
C2 C7 1.389(11) . ?
C2 C3 1.397(12) . ?
C3 C4 1.386(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.401(11) . ?
C5 C8 1.468(11) . ?
C6 C7 1.394(11) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.299(10) . ?
C8 H16 1.01(2) . ?
C9 O4 1.226(7) . ?
C9 O3 1.280(8) . ?
C9 C10 1.499(9) . ?
C10 C15 1.381(9) . ?
C10 C11 1.394(9) . ?
C11 C12 1.380(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.381(9) . ?
C12 N1 1.423(8) 3_455 ?
C13 C14 1.376(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.390(9) . ?
C14 C16 1.496(9) . ?
C15 H15 0.9300 . ?
C16 O6 1.237(8) 6_565 ?
C16 O5 1.273(8) 4 ?
C17 O7 1.329(13) . ?
C17 N2 1.421(15) . ?
C18 N2 1.473(14) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 N2 1.494(16) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 N3 1.345(9) . ?
C20 N4 1.371(9) . ?
C20 C23 1.456(10) . ?
C21 C22 1.365(10) . ?
C21 N4 1.378(10) . ?
C21 H21 0.9300 . ?
C22 N3 1.386(9) . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
N1 C12 1.423(8) 3_545 ?
O3 Eu1 2.375(5) 7_556 ?
O5 C16 1.273(8) 4_545 ?
O6 C16 1.237(8) 6_566 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu1 O6 76.69(16) 7_556 . ?
O3 Eu1 O5 74.44(15) 7_556 . ?
O6 Eu1 O5 133.38(15) . . ?
O3 Eu1 O4 121.23(15) 7_556 . ?
O6 Eu1 O4 92.71(17) . . ?
O5 Eu1 O4 72.66(16) . . ?
O3 Eu1 O7 82.69(18) 7_556 . ?
O6 Eu1 O7 70.40(19) . . ?
O5 Eu1 O7 138.88(19) . . ?
O4 Eu1 O7 147.57(18) . . ?
O3 Eu1 O1 81.76(16) 7_556 . ?
O6 Eu1 O1 137.65(18) . . ?
O5 Eu1 O1 72.20(17) . . ?
O4 Eu1 O1 129.57(16) . . ?
O7 Eu1 O1 71.02(19) . . ?
O3 Eu1 O2 130.68(17) 7_556 . ?
O6 Eu1 O2 149.64(16) . . ?
O5 Eu1 O2 74.05(15) . . ?
O4 Eu1 O2 83.32(16) . . ?
O7 Eu1 O2 97.39(19) . . ?
O1 Eu1 O2 52.84(17) . . ?
O3 Eu1 N3 149.62(16) 7_556 . ?
O6 Eu1 N3 76.33(17) . . ?
O5 Eu1 N3 135.44(17) . . ?
O4 Eu1 N3 73.82(18) . . ?
O7 Eu1 N3 75.3(2) . . ?
O1 Eu1 N3 109.75(19) . . ?
O2 Eu1 N3 73.65(17) . . ?
O3 Eu1 O3 73.48(18) 7_556 . ?
O6 Eu1 O3 66.10(15) . . ?
O5 Eu1 O3 71.01(14) . . ?
O4 Eu1 O3 50.28(15) . . ?
O7 Eu1 O3 133.94(17) . . ?
O1 Eu1 O3 139.86(17) . . ?
O2 Eu1 O3 128.06(14) . . ?
N3 Eu1 O3 107.51(17) . . ?
O3 Eu1 C1 106.4(2) 7_556 . ?
O6 Eu1 C1 153.34(18) . . ?
O5 Eu1 C1 71.14(17) . . ?
O4 Eu1 C1 107.03(19) . . ?
O7 Eu1 C1 83.6(2) . . ?
O1 Eu1 C1 26.3(2) . . ?
O2 Eu1 C1 26.5(2) . . ?
N3 Eu1 C1 91.8(2) . . ?
O3 Eu1 C1 140.53(16) . . ?
O3 Eu1 C9 98.07(17) 7_556 . ?
O6 Eu1 C9 79.36(17) . . ?
O5 Eu1 C9 69.49(16) . . ?
O4 Eu1 C9 24.35(16) . . ?
O7 Eu1 C9 148.78(19) . . ?
O1 Eu1 C9 140.15(16) . . ?
O2 Eu1 C9 105.15(17) . . ?
N3 Eu1 C9 90.45(18) . . ?
O3 Eu1 C9 25.94(16) . . ?
C1 Eu1 C9 125.19(18) . . ?
O3 Eu1 Eu1 39.36(11) 7_556 7_556 ?
O6 Eu1 Eu1 66.25(11) . 7_556 ?
O5 Eu1 Eu1 68.15(11) . 7_556 ?
O4 Eu1 Eu1 83.14(11) . 7_556 ?
O7 Eu1 Eu1 112.62(14) . 7_556 ?
O1 Eu1 Eu1 114.96(13) . 7_556 ?
O2 Eu1 Eu1 142.11(11) . 7_556 ?
N3 Eu1 Eu1 134.73(13) . 7_556 ?
O3 Eu1 Eu1 34.12(10) . 7_556 ?
C1 Eu1 Eu1 132.52(16) . 7_556 ?
C9 Eu1 Eu1 59.15(13) . 7_556 ?
O1 C1 O2 121.4(7) . . ?
O1 C1 C2 119.4(7) . . ?
O2 C1 C2 119.2(7) . . ?
O1 C1 Eu1 60.5(4) . . ?
O2 C1 Eu1 60.9(3) . . ?
C2 C1 Eu1 179.0(5) . . ?
C7 C2 C3 119.6(7) . . ?
C7 C2 C1 119.9(8) . . ?
C3 C2 C1 120.4(7) . . ?
C4 C3 C2 120.5(8) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 120.0(9) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 119.9(7) . . ?
C4 C5 C8 122.9(8) . . ?
C6 C5 C8 117.1(7) . . ?
C7 C6 C5 120.1(8) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C2 C7 C6 119.7(8) . . ?
C2 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
N1 C8 C5 121.9(8) . . ?
N1 C8 H16 129(5) . . ?
C5 C8 H16 109(5) . . ?
O4 C9 O3 121.7(6) . . ?
O4 C9 C10 120.3(6) . . ?
O3 C9 C10 117.9(6) . . ?
O4 C9 Eu1 55.2(3) . . ?
O3 C9 Eu1 66.6(3) . . ?
C10 C9 Eu1 174.2(4) . . ?
C15 C10 C11 119.8(6) . . ?
C15 C10 C9 117.0(6) . . ?
C11 C10 C9 123.1(6) . . ?
C12 C11 C10 120.0(6) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 119.5(6) . . ?
C11 C12 N1 116.9(6) . 3_455 ?
C13 C12 N1 123.4(6) . 3_455 ?
C14 C13 C12 120.6(7) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 120.0(6) . . ?
C13 C14 C16 122.5(6) . . ?
C15 C14 C16 117.5(6) . . ?
C10 C15 C14 119.7(6) . . ?
C10 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
O6 C16 O5 125.4(6) 6_565 4 ?
O6 C16 C14 118.1(6) 6_565 . ?
O5 C16 C14 116.5(6) 4 . ?
O7 C17 N2 120.7(11) . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 N4 109.7(6) . . ?
N3 C20 C23 127.8(6) . . ?
N4 C20 C23 122.5(7) . . ?
C22 C21 N4 106.6(7) . . ?
C22 C21 H21 126.7 . . ?
N4 C21 H21 126.7 . . ?
C21 C22 N3 109.5(7) . . ?
C21 C22 H22 125.2 . . ?
N3 C22 H22 125.2 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C8 N1 C12 116.2(7) . 3_545 ?
C17 N2 C18 116.6(11) . . ?
C17 N2 C19 122.6(10) . . ?
C18 N2 C19 120.7(10) . . ?
C20 N3 C22 106.4(5) . . ?
C20 N3 Eu1 129.0(4) . . ?
C22 N3 Eu1 118.4(5) . . ?
C20 N4 C21 107.8(6) . . ?
C1 O1 Eu1 93.2(5) . . ?
C1 O2 Eu1 92.6(4) . . ?
C9 O3 Eu1 156.5(4) . 7_556 ?
C9 O3 Eu1 87.5(4) . . ?
Eu1 O3 Eu1 106.52(18) 7_556 . ?
C9 O4 Eu1 100.5(4) . . ?
C16 O5 Eu1 132.0(4) 4_545 . ?
C16 O6 Eu1 141.2(4) 6_566 . ?
C17 O7 Eu1 122.3(7) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.053
_refine_diff_density_min         -1.961
_refine_diff_density_rms         0.180

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.234 0.250 215 59 ' '
2 0.000 -0.234 0.750 215 58 ' '
3 0.500 0.266 0.750 215 58 ' '
4 0.500 0.734 0.250 215 59 ' '
_database_code_depnum_ccdc_archive 'CCDC 941898'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-2mpy

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H14 Eu N2 O8, C6 H7 N'
_chemical_formula_sum            'C25 H21 Eu N3 O8'
_chemical_formula_weight         643.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   28.735(2)
_cell_length_b                   14.2112(9)
_cell_length_c                   14.3322(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.126(5)
_cell_angle_gamma                90.00
_cell_volume                     5829.2(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9410
_cell_measurement_theta_min      2.8384
_cell_measurement_theta_max      25.0388

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2552
_exptl_absorpt_coefficient_mu    2.198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.68016
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34801
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.85
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5113
_reflns_number_gt                4228
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1040P)²+79.8666P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5113
_refine_ls_number_parameters     337
_refine_ls_number_restraints     143
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0647
_refine_ls_wR_factor_ref         0.1900
_refine_ls_wR_factor_gt          0.1825
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.314776(14) 0.19578(3) 0.52389(3) 0.0278(2) Uani 1 1 d . . .
C1 C 0.4024(3) 0.2535(7) 0.4698(8) 0.044(2) Uani 1 1 d . . .
C2 C 0.4461(4) 0.2866(8) 0.4314(8) 0.051(3) Uani 1 1 d . . .
C3 C 0.4734(5) 0.2235(10) 0.3903(13) 0.088(5) Uani 1 1 d . . .
H3 H 0.4634 0.1617 0.3808 0.106 Uiso 1 1 calc R . .
C4 C 0.5164(5) 0.2520(11) 0.3625(13) 0.094(6) Uani 1 1 d . . .
H4 H 0.5363 0.2073 0.3405 0.113 Uiso 1 1 calc R . .
C5 C 0.5297(4) 0.3427(8) 0.3668(9) 0.055(3) Uani 1 1 d . . .
C6 C 0.5023(4) 0.4064(8) 0.4024(8) 0.052(3) Uani 1 1 d . . .
H6 H 0.5113 0.4692 0.4046 0.063 Uiso 1 1 calc R . .
C7 C 0.4595(4) 0.3800(8) 0.4371(8) 0.055(3) Uani 1 1 d . . .
H7 H 0.4408 0.4246 0.4631 0.066 Uiso 1 1 calc R . .
C8 C 0.5765(4) 0.3709(9) 0.3340(9) 0.060(3) Uani 1 1 d D . .
H16 H 0.594(4) 0.316(6) 0.354(10) 0.072 Uiso 1 1 d D . .
C9 C 0.2439(3) 0.1029(6) 0.3922(6) 0.0319(19) Uani 1 1 d . . .
C10 C 0.2124(3) 0.0388(6) 0.3338(6) 0.034(2) Uani 1 1 d . . .
C11 C 0.1655(3) 0.0303(7) 0.3495(7) 0.039(2) Uani 1 1 d . . .
H11 H 0.1527 0.0715 0.3907 0.047 Uiso 1 1 calc R . .
C12 C 0.1377(3) -0.0376(6) 0.3055(7) 0.037(2) Uani 1 1 d . . .
C13 C 0.1558(3) -0.0920(7) 0.2360(7) 0.041(2) Uani 1 1 d . . .
H13 H 0.1368 -0.1354 0.2024 0.050 Uiso 1 1 calc R . .
C14 C 0.2023(3) -0.0817(6) 0.2166(6) 0.0338(19) Uani 1 1 d . . .
C15 C 0.2305(3) -0.0171(6) 0.2667(6) 0.034(2) Uani 1 1 d . . .
H15 H 0.2617 -0.0112 0.2553 0.041 Uiso 1 1 calc R . .
C16 C 0.2219(3) -0.1450(7) 0.1454(7) 0.039(2) Uani 1 1 d . . .
C17 C 0.3442(12) 0.007(2) 0.6491(17) 0.183(7) Uani 1 1 d DU . .
C18 C 0.3660(13) -0.156(2) 0.572(2) 0.213(8) Uani 1 1 d DU . .
H18A H 0.3565 -0.1279 0.5128 0.320 Uiso 1 1 calc R . .
H18B H 0.3501 -0.2155 0.5770 0.320 Uiso 1 1 calc R . .
H18C H 0.3991 -0.1670 0.5773 0.320 Uiso 1 1 calc R . .
C19 C 0.3626(12) -0.124(2) 0.746(2) 0.196(8) Uani 1 1 d DU . .
H19A H 0.3690 -0.1901 0.7475 0.294 Uiso 1 1 calc R . .
H19B H 0.3356 -0.1110 0.7785 0.294 Uiso 1 1 calc R . .
H19C H 0.3890 -0.0904 0.7751 0.294 Uiso 1 1 calc R . .
C20 C 0.1557(9) -0.1468(19) 0.6068(19) 0.158(4) Uani 1 1 d DU . .
C21 C 0.1844(9) -0.1002(19) 0.5499(19) 0.159(4) Uani 1 1 d DU . .
H21 H 0.1711 -0.0554 0.5084 0.191 Uiso 1 1 calc R . .
C22 C 0.2322(9) -0.1164(18) 0.551(2) 0.160(4) Uani 1 1 d DU . .
H22 H 0.2481 -0.0834 0.5079 0.192 Uiso 1 1 calc R . .
C23 C 0.2588(10) -0.1776(17) 0.6115(19) 0.159(4) Uani 1 1 d DU . .
H23 H 0.2910 -0.1863 0.6198 0.191 Uiso 1 1 calc R . .
C24 C 0.2233(9) -0.222(2) 0.655(2) 0.158(4) Uani 1 1 d DU . .
H24 H 0.2353 -0.2726 0.6904 0.190 Uiso 1 1 calc R . .
C25 C 0.1060(9) -0.1311(19) 0.6192(19) 0.162(5) Uani 1 1 d DU . .
H25A H 0.0963 -0.1739 0.6655 0.243 Uiso 1 1 calc R . .
H25B H 0.0877 -0.1417 0.5608 0.243 Uiso 1 1 calc R . .
H25C H 0.1016 -0.0675 0.6393 0.243 Uiso 1 1 calc R . .
N1 N 0.5918(3) 0.4498(6) 0.3331(6) 0.048(2) Uani 1 1 d . . .
N2 N 0.3539(10) -0.0933(19) 0.6486(19) 0.192(7) Uani 1 1 d DU . .
N3 N 0.1768(8) -0.2135(15) 0.6631(17) 0.158(4) Uani 1 1 d DU . .
O1 O 0.3815(2) 0.3080(5) 0.5219(5) 0.0500(19) Uani 1 1 d . . .
O2 O 0.3876(2) 0.1737(5) 0.4508(6) 0.0520(19) Uani 1 1 d . . .
O3 O 0.2871(2) 0.0851(4) 0.4029(5) 0.0407(15) Uani 1 1 d . . .
O4 O 0.2730(2) 0.3279(4) 0.5660(4) 0.0382(15) Uani 1 1 d . . .
O5 O 0.2623(2) 0.1269(5) 0.6238(5) 0.0435(16) Uani 1 1 d . . .
O6 O 0.3042(2) 0.2899(4) 0.3879(5) 0.0373(15) Uani 1 1 d . . .
O7 O 0.3463(4) 0.0392(8) 0.5686(11) 0.110(4) Uani 1 1 d DU . .
O8 O 0.3530(4) 0.2119(8) 0.6803(7) 0.087(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O4 2.337(6) . ?
Eu1 O6 2.361(6) . ?
Eu1 O5 2.381(6) . ?
Eu1 O8 2.418(9) . ?
Eu1 O3 2.422(6) . ?
Eu1 O2 2.444(7) . ?
Eu1 O7 2.466(12) . ?
Eu1 O1 2.495(7) . ?
Eu1 O4 2.748(7) 7_556 ?
Eu1 C1 2.821(10) . ?
Eu1 C9 2.961(9) . ?
Eu1 Eu1 4.0306(8) 7_556 ?
C1 O2 1.231(12) . ?
C1 O1 1.264(12) . ?
C1 C2 1.491(14) . ?
C2 C3 1.361(17) . ?
C2 C7 1.382(15) . ?
C3 C4 1.391(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.345(19) . ?
C4 H4 0.9300 . ?
C5 C6 1.331(15) . ?
C5 C8 1.517(16) . ?
C6 C7 1.417(15) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.206(14) . ?
C8 H16 0.95(2) . ?
C9 O3 1.264(11) . ?
C9 O4 1.270(10) 7_556 ?
C9 C10 1.488(12) . ?
C10 C15 1.384(12) . ?
C10 C11 1.391(13) . ?
C11 C12 1.370(13) . ?
C11 H11 0.9300 . ?
C12 C13 1.397(13) . ?
C12 N1 1.420(12) 3_445 ?
C13 C14 1.398(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.381(12) . ?
C14 C16 1.506(13) . ?
C15 H15 0.9300 . ?
C16 O5 1.254(11) 6 ?
C16 O6 1.257(11) 4_545 ?
C17 O7 1.247(17) . ?
C17 N2 1.455(18) . ?
C18 N2 1.480(18) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 N2 1.459(18) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 N3 1.352(17) . ?
C20 C21 1.380(18) . ?
C20 C25 1.473(18) . ?
C21 C22 1.390(18) . ?
C21 H21 0.9300 . ?
C22 C23 1.404(18) . ?
C22 H22 0.9300 . ?
C23 C24 1.393(18) . ?
C23 H23 0.9300 . ?
C24 N3 1.358(17) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N1 C12 1.420(12) 3 ?
O4 C9 1.270(10) 7_556 ?
O4 Eu1 2.748(7) 7_556 ?
O5 C16 1.254(11) 6_556 ?
O6 C16 1.257(11) 4 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O6 74.1(2) . . ?
O4 Eu1 O5 78.9(2) . . ?
O6 Eu1 O5 133.4(2) . . ?
O4 Eu1 O8 83.5(3) . . ?
O6 Eu1 O8 136.6(3) . . ?
O5 Eu1 O8 75.0(3) . . ?
O4 Eu1 O3 124.3(2) . . ?
O6 Eu1 O3 76.5(2) . . ?
O5 Eu1 O3 88.8(2) . . ?
O8 Eu1 O3 144.9(3) . . ?
O4 Eu1 O2 133.9(2) . . ?
O6 Eu1 O2 76.8(2) . . ?
O5 Eu1 O2 144.9(2) . . ?
O8 Eu1 O2 94.2(3) . . ?
O3 Eu1 O2 81.3(2) . . ?
O4 Eu1 O7 147.5(3) . . ?
O6 Eu1 O7 138.0(3) . . ?
O5 Eu1 O7 73.2(3) . . ?
O8 Eu1 O7 73.7(4) . . ?
O3 Eu1 O7 71.9(4) . . ?
O2 Eu1 O7 71.8(3) . . ?
O4 Eu1 O1 84.4(2) . . ?
O6 Eu1 O1 70.8(3) . . ?
O5 Eu1 O1 143.0(2) . . ?
O8 Eu1 O1 70.4(3) . . ?
O3 Eu1 O1 127.6(2) . . ?
O2 Eu1 O1 52.3(2) . . ?
O7 Eu1 O1 108.4(3) . . ?
O4 Eu1 O4 75.4(2) . 7_556 ?
O6 Eu1 O4 68.7(2) . 7_556 ?
O5 Eu1 O4 68.1(2) . 7_556 ?
O8 Eu1 O4 140.2(3) . 7_556 ?
O3 Eu1 O4 49.9(2) . 7_556 ?
O2 Eu1 O4 124.7(2) . 7_556 ?
O7 Eu1 O4 108.2(3) . 7_556 ?
O1 Eu1 O4 138.3(2) . 7_556 ?
O4 Eu1 C1 109.2(3) . . ?
O6 Eu1 C1 70.2(3) . . ?
O5 Eu1 C1 156.0(3) . . ?
O8 Eu1 C1 83.4(3) . . ?
O3 Eu1 C1 103.6(3) . . ?
O2 Eu1 C1 25.8(3) . . ?
O7 Eu1 C1 91.0(3) . . ?
O1 Eu1 C1 26.6(3) . . ?
O4 Eu1 C1 135.3(3) 7_556 . ?
O4 Eu1 C9 100.5(2) . . ?
O6 Eu1 C9 72.3(2) . . ?
O5 Eu1 C9 76.3(2) . . ?
O8 Eu1 C9 149.7(3) . . ?
O3 Eu1 C9 24.7(2) . . ?
O2 Eu1 C9 103.7(3) . . ?
O7 Eu1 C9 88.8(4) . . ?
O1 Eu1 C9 139.7(2) . . ?
O4 Eu1 C9 25.3(2) 7_556 . ?
C1 Eu1 C9 122.3(3) . . ?
O4 Eu1 Eu1 41.28(16) . 7_556 ?
O6 Eu1 Eu1 66.03(15) . 7_556 ?
O5 Eu1 Eu1 68.53(15) . 7_556 ?
O8 Eu1 Eu1 117.3(3) . 7_556 ?
O3 Eu1 Eu1 83.56(15) . 7_556 ?
O2 Eu1 Eu1 142.2(2) . 7_556 ?
O7 Eu1 Eu1 134.5(3) . 7_556 ?
O1 Eu1 Eu1 116.90(18) . 7_556 ?
O4 Eu1 Eu1 34.13(13) 7_556 7_556 ?
C1 Eu1 Eu1 132.5(2) . 7_556 ?
C9 Eu1 Eu1 59.31(16) . 7_556 ?
O2 C1 O1 121.5(9) . . ?
O2 C1 C2 119.5(9) . . ?
O1 C1 C2 119.0(9) . . ?
O2 C1 Eu1 59.7(5) . . ?
O1 C1 Eu1 62.2(5) . . ?
C2 C1 Eu1 174.0(8) . . ?
C3 C2 C7 119.3(10) . . ?
C3 C2 C1 119.3(10) . . ?
C7 C2 C1 121.4(10) . . ?
C2 C3 C4 119.6(12) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 121.5(12) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C6 C5 C4 119.5(10) . . ?
C6 C5 C8 120.7(10) . . ?
C4 C5 C8 119.7(11) . . ?
C5 C6 C7 121.1(11) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
C2 C7 C6 118.7(10) . . ?
C2 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
N1 C8 C5 125.7(11) . . ?
N1 C8 H16 125(9) . . ?
C5 C8 H16 99(9) . . ?
O3 C9 O4 120.7(8) . 7_556 ?
O3 C9 C10 119.2(8) . . ?
O4 C9 C10 120.1(8) 7_556 . ?
O3 C9 Eu1 53.1(4) . . ?
O4 C9 Eu1 67.9(5) 7_556 . ?
C10 C9 Eu1 168.7(6) . . ?
C15 C10 C11 119.4(8) . . ?
C15 C10 C9 119.7(8) . . ?
C11 C10 C9 120.8(8) . . ?
C12 C11 C10 121.4(8) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C13 118.5(8) . . ?
C11 C12 N1 118.5(8) . 3_445 ?
C13 C12 N1 122.9(8) . 3_445 ?
C12 C13 C14 120.6(9) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C15 C14 C13 119.5(8) . . ?
C15 C14 C16 120.8(8) . . ?
C13 C14 C16 119.6(8) . . ?
C14 C15 C10 120.3(8) . . ?
C14 C15 H15 119.9 . . ?
C10 C15 H15 119.9 . . ?
O5 C16 O6 126.1(9) 6 4_545 ?
O5 C16 C14 117.0(8) 6 . ?
O6 C16 C14 116.9(8) 4_545 . ?
O7 C17 N2 109(2) . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C21 116(2) . . ?
N3 C20 C25 115(2) . . ?
C21 C20 C25 129(2) . . ?
C20 C21 C22 124(3) . . ?
C20 C21 H21 118.2 . . ?
C22 C21 H21 118.2 . . ?
C21 C22 C23 126(3) . . ?
C21 C22 H22 116.8 . . ?
C23 C22 H22 116.8 . . ?
C24 C23 C22 100(3) . . ?
C24 C23 H23 130.0 . . ?
C22 C23 H23 130.0 . . ?
N3 C24 C23 140(3) . . ?
N3 C24 H24 110.0 . . ?
C23 C24 H24 110.0 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C8 N1 C12 117.9(10) . 3 ?
C17 N2 C19 108(2) . . ?
C17 N2 C18 131(3) . . ?
C19 N2 C18 120(3) . . ?
C20 N3 C24 114(2) . . ?
C1 O1 Eu1 91.2(6) . . ?
C1 O2 Eu1 94.5(6) . . ?
C9 O3 Eu1 102.3(5) . . ?
C9 O4 Eu1 166.0(6) 7_556 . ?
C9 O4 Eu1 86.8(5) 7_556 7_556 ?
Eu1 O4 Eu1 104.6(2) . 7_556 ?
C16 O5 Eu1 135.6(6) 6_556 . ?
C16 O6 Eu1 139.4(6) 4 . ?
C17 O7 Eu1 121.5(16) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.985
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.198

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.431 680 102 ' '
2 0.000 0.500 0.245 680 102 ' '

_database_code_depnum_ccdc_archive 'CCDC 941899'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-4(5)mIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H14 Eu N3 O7, C4 H5 N2'
_chemical_formula_sum            'C24 H19 Eu N5 O7'
_chemical_formula_weight         641.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.7050(17)
_cell_length_b                   12.9699(6)
_cell_length_c                   13.8285(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.247(5)
_cell_angle_gamma                90.00
_cell_volume                     5305.4(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7041
_cell_measurement_theta_min      2.8861
_cell_measurement_theta_max      28.9584

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2536
_exptl_absorpt_coefficient_mu    2.415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.87914
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21125
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.89
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4679
_reflns_number_gt                4146
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0386P)²+27.3045P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4679
_refine_ls_number_parameters     340
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0304
_refine_ls_wR_factor_ref         0.0800
_refine_ls_wR_factor_gt          0.0778
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.314377(6) 0.800062(15) 1.036555(14) 0.00990(9) Uani 1 1 d . . .
C1 C 0.39736(14) 0.7552(4) 0.9609(3) 0.0162(9) Uani 1 1 d . . .
C2 C 0.44350(15) 0.7343(4) 0.9316(3) 0.0204(10) Uani 1 1 d . . .
C3 C 0.45815(17) 0.6339(4) 0.9203(4) 0.0335(13) Uani 1 1 d . . .
H3 H 0.4385 0.5794 0.9289 0.040 Uiso 1 1 calc R . .
C4 C 0.50154(17) 0.6135(4) 0.8964(4) 0.0364(13) Uani 1 1 d . . .
H4 H 0.5110 0.5457 0.8893 0.044 Uiso 1 1 calc R . .
C5 C 0.47332(16) 0.8148(4) 0.9190(4) 0.0260(11) Uani 1 1 d . . .
H5 H 0.4641 0.8825 0.9272 0.031 Uiso 1 1 calc R . .
C6 C 0.46898(17) 0.6945(4) 0.6170(4) 0.0279(12) Uani 1 1 d . . .
C7 C 0.48340(16) 0.7950(4) 0.6056(4) 0.0282(12) Uani 1 1 d . . .
H7 H 0.4639 0.8495 0.6146 0.034 Uiso 1 1 calc R . .
C8 C 0.42188(16) 0.6763(4) 0.6376(4) 0.0276(11) Uani 1 1 d D . .
C9 C 0.24425(14) 0.9378(3) 0.9450(3) 0.0126(9) Uani 1 1 d . . .
C10 C 0.28525(14) 0.5103(3) 0.6152(3) 0.0127(8) Uani 1 1 d . . .
C11 C 0.26577(14) 0.5766(3) 0.6790(3) 0.0132(9) Uani 1 1 d . . .
H11 H 0.2346 0.5779 0.6812 0.016 Uiso 1 1 calc R . .
C12 C 0.29325(14) 0.6407(3) 0.7394(3) 0.0125(9) Uani 1 1 d . . .
C13 C 0.33916(14) 0.6447(3) 0.7303(3) 0.0170(9) Uani 1 1 d . . .
H13 H 0.3574 0.6891 0.7695 0.020 Uiso 1 1 calc R . .
C14 C 0.35826(14) 0.5825(3) 0.6627(3) 0.0173(9) Uani 1 1 d . . .
C15 C 0.33155(14) 0.5121(3) 0.6080(3) 0.0161(9) Uani 1 1 d . . .
H15 H 0.3446 0.4664 0.5669 0.019 Uiso 1 1 calc R . .
C16 C 0.27269(14) 0.7019(3) 0.8175(3) 0.0124(9) Uani 1 1 d . . .
C17 C 0.32000(16) 1.0159(4) 1.1855(3) 0.0218(10) Uani 1 1 d . . .
H17 H 0.2887 1.0138 1.1731 0.026 Uiso 1 1 calc R . .
C18 C 0.38680(16) 1.0602(4) 1.2478(3) 0.0250(11) Uani 1 1 d . . .
H18 H 0.4103 1.0934 1.2844 0.030 Uiso 1 1 calc R . .
C19 C 0.39070(15) 0.9825(4) 1.1834(3) 0.0227(10) Uani 1 1 d . . .
C20 C 0.43299(17) 0.9318(5) 1.1566(4) 0.0377(14) Uani 1 1 d . . .
H20A H 0.4254 0.8794 1.1088 0.057 Uiso 1 1 calc R . .
H20B H 0.4486 0.9011 1.2133 0.057 Uiso 1 1 calc R . .
H20C H 0.4521 0.9824 1.1305 0.057 Uiso 1 1 calc R . .
C21 C 0.3618(3) 0.1439(6) 0.9099(5) 0.0614(17) Uani 1 1 d U . .
H21 H 0.3820 0.0928 0.8947 0.074 Uiso 1 1 calc R . .
C22 C 0.3159(3) 0.2338(7) 0.9879(6) 0.0652(17) Uani 1 1 d U . .
H22 H 0.2978 0.2550 1.0356 0.078 Uiso 1 1 calc R . .
C23 C 0.3241(3) 0.2843(6) 0.9089(6) 0.0676(19) Uani 1 1 d U . .
C24 C 0.3078(4) 0.3873(8) 0.8720(7) 0.102(3) Uani 1 1 d U . .
H24A H 0.3205 0.4023 0.8122 0.154 Uiso 1 1 calc R . .
H24B H 0.3169 0.4393 0.9191 0.154 Uiso 1 1 calc R . .
H24C H 0.2754 0.3865 0.8610 0.154 Uiso 1 1 calc R . .
N1 N 0.40512(12) 0.5877(3) 0.6464(3) 0.0231(9) Uani 1 1 d . . .
N2 N 0.34772(12) 0.9550(3) 1.1423(3) 0.0172(8) Uani 1 1 d . . .
N3 N 0.34153(13) 1.0805(3) 1.2485(3) 0.0222(9) Uani 1 1 d D . .
N4 N 0.3515(2) 0.2288(5) 0.8568(5) 0.0715(17) Uani 1 1 d U . .
N5 N 0.3394(2) 0.1446(4) 0.9852(5) 0.0609(15) Uani 1 1 d U . .
O1 O 0.38365(10) 0.8477(2) 0.9634(2) 0.0169(6) Uani 1 1 d . . .
O2 O 0.37298(10) 0.6810(2) 0.9835(2) 0.0188(7) Uani 1 1 d . . .
O3 O 0.27225(9) 0.6454(2) 1.0254(2) 0.0141(6) Uani 1 1 d . . .
O4 O 0.28493(9) 0.9598(2) 0.9648(2) 0.0154(6) Uani 1 1 d . . .
O5 O 0.23316(10) 0.6816(2) 0.8333(2) 0.0154(6) Uani 1 1 d . . .
O6 O 0.29786(9) 0.7696(2) 0.8624(2) 0.0133(6) Uani 1 1 d . . .
O7 O 0.35767(11) 0.7274(3) 1.1729(2) 0.0257(8) Uani 1 1 d . . .
H16 H 0.4033(15) 0.739(3) 0.645(4) 0.031 Uiso 1 1 d D . .
H24 H 0.3268(15) 1.129(3) 1.290(3) 0.031 Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O3 2.362(3) . ?
Eu1 O7 2.378(3) . ?
Eu1 O5 2.398(3) 7_567 ?
Eu1 O4 2.425(3) . ?
Eu1 O6 2.446(3) . ?
Eu1 O1 2.453(3) . ?
Eu1 O2 2.488(3) . ?
Eu1 N2 2.626(4) . ?
Eu1 O3 2.730(3) 7_567 ?
Eu1 C1 2.825(4) . ?
Eu1 C9 2.942(4) . ?
C1 O2 1.261(5) . ?
C1 O1 1.268(6) . ?
C1 C2 1.489(6) . ?
C2 C3 1.387(7) . ?
C2 C5 1.390(7) . ?
C3 C4 1.385(7) . ?
C3 H3 0.9300 . ?
C4 C6 1.391(7) 2_656 ?
C4 H4 0.9300 . ?
C5 C7 1.384(7) 2_656 ?
C5 H5 0.9300 . ?
C6 C7 1.385(7) . ?
C6 C4 1.391(7) 2_656 ?
C6 C8 1.473(7) . ?
C7 C5 1.384(7) 2_656 ?
C7 H7 0.9300 . ?
C8 N1 1.262(6) . ?
C8 H16 0.99(2) . ?
C9 O4 1.248(5) . ?
C9 O3 1.269(5) 7_567 ?
C9 C10 1.487(6) 4_556 ?
C10 C15 1.388(6) . ?
C10 C11 1.396(6) . ?
C10 C9 1.487(6) 4_546 ?
C11 C12 1.389(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.382(6) . ?
C12 C16 1.514(6) . ?
C13 C14 1.394(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.388(6) . ?
C14 N1 1.432(5) . ?
C15 H15 0.9300 . ?
C16 O5 1.242(5) . ?
C16 O6 1.277(5) . ?
C17 N2 1.322(6) . ?
C17 N3 1.330(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.358(7) . ?
C18 N3 1.371(6) . ?
C18 H18 0.9300 . ?
C19 N2 1.395(6) . ?
C19 C20 1.494(7) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 N5 1.287(9) . ?
C21 N4 1.343(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.316(11) . ?
C22 N5 1.353(10) . ?
C22 H22 0.9300 . ?
C23 N4 1.344(10) . ?
C23 C24 1.495(11) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
N3 H24 0.98(2) . ?
O3 C9 1.269(5) 7_567 ?
O3 Eu1 2.730(3) 7_567 ?
O5 Eu1 2.398(3) 7_567 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu1 O7 87.72(11) . . ?
O3 Eu1 O5 77.78(10) . 7_567 ?
O7 Eu1 O5 75.94(11) . 7_567 ?
O3 Eu1 O4 121.99(9) . . ?
O7 Eu1 O4 144.24(11) . . ?
O5 Eu1 O4 90.42(10) 7_567 . ?
O3 Eu1 O6 75.00(10) . . ?
O7 Eu1 O6 139.66(10) . . ?
O5 Eu1 O6 132.53(10) 7_567 . ?
O4 Eu1 O6 72.71(10) . . ?
O3 Eu1 O1 130.26(10) . . ?
O7 Eu1 O1 90.76(11) . . ?
O5 Eu1 O1 149.07(10) 7_567 . ?
O4 Eu1 O1 84.32(10) . . ?
O6 Eu1 O1 74.64(9) . . ?
O3 Eu1 O2 80.45(10) . . ?
O7 Eu1 O2 69.25(11) . . ?
O5 Eu1 O2 139.35(10) 7_567 . ?
O4 Eu1 O2 130.20(10) . . ?
O6 Eu1 O2 72.05(10) . . ?
O1 Eu1 O2 53.05(10) . . ?
O3 Eu1 N2 148.99(10) . . ?
O7 Eu1 N2 73.28(11) . . ?
O5 Eu1 N2 74.00(10) 7_567 . ?
O4 Eu1 N2 71.19(11) . . ?
O6 Eu1 N2 134.72(11) . . ?
O1 Eu1 N2 75.46(10) . . ?
O2 Eu1 N2 113.65(11) . . ?
O3 Eu1 O3 73.80(10) . 7_567 ?
O7 Eu1 O3 141.03(10) . 7_567 ?
O5 Eu1 O3 66.86(9) 7_567 7_567 ?
O4 Eu1 O3 49.91(9) . 7_567 ?
O6 Eu1 O3 68.56(9) . 7_567 ?
O1 Eu1 O3 127.41(9) . 7_567 ?
O2 Eu1 O3 137.15(9) . 7_567 ?
N2 Eu1 O3 105.85(10) . 7_567 ?
O3 Eu1 C1 106.01(12) . . ?
O7 Eu1 C1 77.59(12) . . ?
O5 Eu1 C1 153.08(11) 7_567 . ?
O4 Eu1 C1 108.59(11) . . ?
O6 Eu1 C1 72.86(11) . . ?
O1 Eu1 C1 26.63(12) . . ?
O2 Eu1 C1 26.49(12) . . ?
N2 Eu1 C1 93.81(12) . . ?
O3 Eu1 C1 140.04(10) 7_567 . ?
O3 Eu1 C9 97.92(11) . . ?
O7 Eu1 C9 153.18(11) . . ?
O5 Eu1 C9 79.66(10) 7_567 . ?
O4 Eu1 C9 24.55(10) . . ?
O6 Eu1 C9 66.66(10) . . ?
O1 Eu1 C9 104.91(11) . . ?
O2 Eu1 C9 137.49(10) . . ?
N2 Eu1 C9 89.49(11) . . ?
O3 Eu1 C9 25.50(10) 7_567 . ?
C1 Eu1 C9 124.98(12) . . ?
O3 Eu1 Eu1 40.01(7) . 7_567 ?
O7 Eu1 Eu1 119.83(8) . 7_567 ?
O5 Eu1 Eu1 67.31(7) 7_567 7_567 ?
O4 Eu1 Eu1 82.86(7) . 7_567 ?
O6 Eu1 Eu1 66.75(7) . 7_567 ?
O1 Eu1 Eu1 141.35(7) . 7_567 ?
O2 Eu1 Eu1 113.25(7) . 7_567 ?
N2 Eu1 Eu1 132.79(8) . 7_567 ?
O3 Eu1 Eu1 33.79(6) 7_567 7_567 ?
C1 Eu1 Eu1 132.29(9) . 7_567 ?
C9 Eu1 Eu1 58.37(8) . 7_567 ?
O2 C1 O1 121.5(4) . . ?
O2 C1 C2 119.5(4) . . ?
O1 C1 C2 119.0(4) . . ?
O2 C1 Eu1 61.7(2) . . ?
O1 C1 Eu1 60.1(2) . . ?
C2 C1 Eu1 173.8(3) . . ?
C3 C2 C5 118.8(4) . . ?
C3 C2 C1 120.5(4) . . ?
C5 C2 C1 120.7(4) . . ?
C4 C3 C2 121.0(5) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C6 119.9(5) . 2_656 ?
C3 C4 H4 120.1 . . ?
C6 C4 H4 120.1 2_656 . ?
C7 C5 C2 120.6(5) 2_656 . ?
C7 C5 H5 119.7 2_656 . ?
C2 C5 H5 119.7 . . ?
C7 C6 C4 119.4(5) . 2_656 ?
C7 C6 C8 118.8(5) . . ?
C4 C6 C8 121.7(5) 2_656 . ?
C5 C7 C6 120.4(5) 2_656 . ?
C5 C7 H7 119.8 2_656 . ?
C6 C7 H7 119.8 . . ?
N1 C8 C6 123.7(5) . . ?
N1 C8 H16 121(3) . . ?
C6 C8 H16 116(3) . . ?
O4 C9 O3 121.2(4) . 7_567 ?
O4 C9 C10 119.2(4) . 4_556 ?
O3 C9 C10 119.6(4) 7_567 4_556 ?
O4 C9 Eu1 53.9(2) . . ?
O3 C9 Eu1 67.9(2) 7_567 . ?
C10 C9 Eu1 169.4(3) 4_556 . ?
C15 C10 C11 120.4(4) . . ?
C15 C10 C9 120.5(4) . 4_546 ?
C11 C10 C9 119.1(4) . 4_546 ?
C12 C11 C10 119.6(4) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C13 C12 C11 119.9(4) . . ?
C13 C12 C16 120.7(4) . . ?
C11 C12 C16 119.3(4) . . ?
C12 C13 C14 120.3(4) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C15 C14 C13 119.9(4) . . ?
C15 C14 N1 117.4(4) . . ?
C13 C14 N1 122.7(4) . . ?
C10 C15 C14 119.6(4) . . ?
C10 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
O5 C16 O6 125.5(4) . . ?
O5 C16 C12 117.7(4) . . ?
O6 C16 C12 116.8(4) . . ?
N2 C17 N3 113.0(4) . . ?
N2 C17 H17 123.5 . . ?
N3 C17 H17 123.5 . . ?
C19 C18 N3 106.8(4) . . ?
C19 C18 H18 126.6 . . ?
N3 C18 H18 126.6 . . ?
C18 C19 N2 109.1(4) . . ?
C18 C19 C20 127.8(4) . . ?
N2 C19 C20 123.1(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N5 C21 N4 109.1(7) . . ?
N5 C21 H21 125.4 . . ?
N4 C21 H21 125.4 . . ?
C23 C22 N5 105.5(7) . . ?
C23 C22 H22 127.2 . . ?
N5 C22 H22 127.2 . . ?
C22 C23 N4 110.2(7) . . ?
C22 C23 C24 130.5(8) . . ?
N4 C23 C24 119.3(8) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C8 N1 C14 117.1(4) . . ?
C17 N2 C19 104.4(4) . . ?
C17 N2 Eu1 119.3(3) . . ?
C19 N2 Eu1 135.0(3) . . ?
C17 N3 C18 106.7(4) . . ?
C17 N3 H24 125(3) . . ?
C18 N3 H24 128(3) . . ?
C21 N4 C23 105.4(7) . . ?
C21 N5 C22 109.6(7) . . ?
C1 O1 Eu1 93.3(2) . . ?
C1 O2 Eu1 91.8(3) . . ?
C9 O3 Eu1 156.9(3) 7_567 . ?
C9 O3 Eu1 86.6(2) 7_567 7_567 ?
Eu1 O3 Eu1 106.20(10) . 7_567 ?
C9 O4 Eu1 101.6(2) . . ?
C16 O5 Eu1 137.9(3) . 7_567 ?
C16 O6 Eu1 130.2(3) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.302
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.115

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.207 0.250 216 23 ' '
2 0.500 0.293 0.750 216 23 ' '
3 0.000 0.793 0.750 216 23 ' '
4 0.500 0.707 0.250 216 23 ' '
_database_code_depnum_ccdc_archive 'CCDC 941900'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-atzH

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H15 Eu N6 O7'
_chemical_formula_sum            'C21 H15 Eu N6 O7'
_chemical_formula_weight         615.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.6024(12)
_cell_length_b                   13.4780(7)
_cell_length_c                   13.3524(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.594(4)
_cell_angle_gamma                90.00
_cell_volume                     5292.1(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4660
_cell_measurement_theta_min      3.0037
_cell_measurement_theta_max      28.9726

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2416
_exptl_absorpt_coefficient_mu    2.418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.74431
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11772
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4652
_reflns_number_gt                3953
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0624P)²+36.3070P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4652
_refine_ls_number_parameters     350
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.1151
_refine_ls_wR_factor_gt          0.1102
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.813846(8) 0.202912(18) 0.541396(18) 0.01391(12) Uani 1 1 d . . .
C1 C 0.89837(19) 0.2403(4) 0.4656(4) 0.0229(12) Uani 1 1 d . A .
C2 C 0.9435(2) 0.2617(5) 0.4315(5) 0.0265(13) Uani 1 1 d . . .
C3 C 0.9601(2) 0.3584(5) 0.4369(6) 0.0390(17) Uani 1 1 d . . .
H3 H 0.9423 0.4091 0.4588 0.047 Uiso 1 1 calc R . .
C4 C 1.0031(2) 0.3800(5) 0.4101(6) 0.0427(18) Uani 1 1 d . . .
H4 H 1.0133 0.4453 0.4106 0.051 Uiso 1 1 calc R A .
C5 C 1.0308(2) 0.3036(5) 0.3826(5) 0.0311(15) Uani 1 1 d . . .
C6 C 1.0135(2) 0.2071(5) 0.3749(6) 0.0413(18) Uani 1 1 d . . .
H6 H 1.0313 0.1561 0.3536 0.050 Uiso 1 1 calc R A .
C7 C 0.9701(2) 0.1865(5) 0.3989(6) 0.0380(17) Uani 1 1 d . . .
H7 H 0.9589 0.1220 0.3931 0.046 Uiso 1 1 calc R . .
C8 C 1.0782(2) 0.3202(6) 0.3633(6) 0.0429(19) Uani 1 1 d D . .
H16 H 1.090(3) 0.259(4) 0.332(5) 0.052 Uiso 1 1 d D . .
C9 C 0.74532(18) 0.0695(4) 0.4416(4) 0.0181(11) Uani 1 1 d . A .
C10 C 0.71452(18) -0.0044(4) 0.3841(4) 0.0187(11) Uani 1 1 d . . .
C11 C 0.66891(18) -0.0109(4) 0.3974(4) 0.0211(12) Uani 1 1 d . . .
H11 H 0.6564 0.0325 0.4408 0.025 Uiso 1 1 calc R . .
C12 C 0.64178(19) -0.0831(4) 0.3452(4) 0.0243(13) Uani 1 1 d . . .
C13 C 0.6603(2) -0.1427(4) 0.2742(4) 0.0238(12) Uani 1 1 d . . .
H13 H 0.6421 -0.1891 0.2371 0.029 Uiso 1 1 calc R . .
C14 C 0.70545(18) -0.1328(4) 0.2591(4) 0.0195(11) Uani 1 1 d . . .
C15 C 0.73267(19) -0.0645(4) 0.3155(4) 0.0204(12) Uani 1 1 d . . .
H15 H 0.7633 -0.0592 0.3069 0.024 Uiso 1 1 calc R . .
C16 C 0.72596(19) -0.1943(4) 0.1810(4) 0.0185(12) Uani 1 1 d . . .
C20 C 0.8545(2) 0.0460(5) 0.7527(5) 0.0402(17) Uani 1 1 d . . .
C21 C 0.8727(3) -0.0181(6) 0.6205(6) 0.054(2) Uani 1 1 d . . .
N1 N 1.09563(17) 0.4092(4) 0.3637(4) 0.0283(12) Uani 1 1 d . . .
N2 N 0.8996(5) 0.3742(10) 0.7997(10) 0.130(3) Uani 1 1 d DU . .
N3 N 0.85466(18) 0.0642(4) 0.6538(4) 0.0317(12) Uani 1 1 d . . .
N4 N 0.8704(2) -0.0440(4) 0.7738(4) 0.0385(14) Uani 1 1 d D A .
H17 H 0.874(3) -0.075(5) 0.842(3) 0.046 Uiso 1 1 d D . .
N5 N 0.8825(3) -0.0884(5) 0.6895(6) 0.062(2) Uani 1 1 d . A .
N6 N 0.8445(3) 0.1089(7) 0.8286(6) 0.0166(18) Uani 0.50 1 d P . .
N6A N 0.8880(8) -0.0397(17) 0.5301(17) 0.104(6) Uani 0.50 1 d PU . .
O1 O 0.88261(13) 0.1521(3) 0.4593(3) 0.0218(8) Uani 1 1 d . A .
O2 O 0.87701(15) 0.3087(3) 0.5023(4) 0.0323(11) Uani 1 1 d . A .
O3 O 0.72942(12) 0.1499(3) 0.4697(3) 0.0184(8) Uani 1 1 d . . .
O4 O 0.78678(13) 0.0494(3) 0.4598(3) 0.0218(8) Uani 1 1 d . A .
O5 O 0.79982(13) 0.2436(3) 0.3669(3) 0.0224(8) Uani 1 1 d . . .
O6 O 0.76635(13) 0.1764(3) 0.6696(3) 0.0245(9) Uani 1 1 d . . .
O7 O 0.84802(18) 0.2834(4) 0.6941(4) 0.0424(13) Uani 1 1 d D A .
C18 C 0.8652(11) 0.407(2) 0.861(2) 0.128(3) Uani 0.50 1 d PDU A 1
H18A H 0.8793 0.4461 0.9169 0.192 Uiso 0.50 1 calc PR A 1
H18B H 0.8504 0.3510 0.8869 0.192 Uiso 0.50 1 calc PR A 1
H18C H 0.8431 0.4474 0.8214 0.192 Uiso 0.50 1 calc PR A 1
C18A C 0.9050(8) 0.3908(17) 0.9138(16) 0.082(6) Uani 0.50 1 d PU A 2
H18D H 0.8776 0.3712 0.9404 0.123 Uiso 0.50 1 calc PR A 2
H18E H 0.9109 0.4597 0.9279 0.123 Uiso 0.50 1 calc PR A 2
H18F H 0.9300 0.3517 0.9445 0.123 Uiso 0.50 1 calc PR A 2
C17 C 0.8822(6) 0.3141(13) 0.7122(14) 0.129(3) Uani 1 1 d DU A 1
C19 C 0.9337(10) 0.394(2) 0.710(2) 0.126(4) Uani 0.50 1 d PDU A 2
H19A H 0.9183 0.3745 0.6454 0.189 Uiso 0.50 1 calc PR A 2
H19B H 0.9611 0.3561 0.7240 0.189 Uiso 0.50 1 calc PR A 2
H19C H 0.9411 0.4635 0.7077 0.189 Uiso 0.50 1 calc PR A 2
C19A C 0.9478(7) 0.4054(16) 0.8101(16) 0.072(5) Uani 0.50 1 d PU A 3
H19D H 0.9505 0.4707 0.8387 0.108 Uiso 0.50 1 calc PR A 3
H19E H 0.9586 0.4059 0.7449 0.108 Uiso 0.50 1 calc PR A 3
H19F H 0.9657 0.3597 0.8533 0.108 Uiso 0.50 1 calc PR A 3


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O3 2.357(4) 7_656 ?
Eu1 O6 2.364(4) . ?
Eu1 O5 2.383(4) . ?
Eu1 O7 2.426(5) . ?
Eu1 O4 2.431(4) . ?
Eu1 O2 2.455(4) . ?
Eu1 O1 2.515(4) . ?
Eu1 N3 2.606(5) . ?
Eu1 O3 2.669(4) . ?
Eu1 C1 2.850(6) . ?
Eu1 C9 2.916(6) . ?
Eu1 C17 3.237(18) . ?
C1 O2 1.249(7) . ?
C1 O1 1.277(7) . ?
C1 C2 1.487(8) . ?
C2 C7 1.384(9) . ?
C2 C3 1.393(9) . ?
C3 C4 1.391(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.392(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.397(9) . ?
C5 C8 1.474(9) . ?
C6 C7 1.388(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.305(9) . ?
C8 H16 1.00(2) . ?
C9 O4 1.253(7) . ?
C9 O3 1.256(6) . ?
C9 C10 1.501(8) . ?
C10 C15 1.377(7) . ?
C10 C11 1.385(7) . ?
C11 C12 1.396(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.401(8) . ?
C12 N1 1.420(7) 3_445 ?
C13 C14 1.381(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.387(8) . ?
C14 C16 1.513(7) . ?
C15 H15 0.9300 . ?
C16 O6 1.246(7) 6 ?
C16 O5 1.257(7) 4_645 ?
C20 N4 1.319(9) . ?
C20 N3 1.344(9) . ?
C20 N6 1.379(11) . ?
C21 N5 1.329(10) . ?
C21 N3 1.330(9) . ?
C21 N6A 1.37(2) . ?
N1 C12 1.420(7) 3 ?
N2 C18 1.45(3) . ?
N2 C17 1.466(19) . ?
N2 C19A 1.48(2) . ?
N2 C18A 1.53(2) . ?
N2 C19 1.68(3) . ?
N4 N5 1.359(9) . ?
N4 H17 1.00(2) . ?
O3 Eu1 2.357(4) 7_656 ?
O5 C16 1.257(7) 4_655 ?
O6 C16 1.246(7) 6_556 ?
O7 C17 1.093(18) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18A H18D 0.9600 . ?
C18A H18E 0.9600 . ?
C18A H18F 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19A H19D 0.9600 . ?
C19A H19E 0.9600 . ?
C19A H19F 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu1 O6 78.99(13) 7_656 . ?
O3 Eu1 O5 73.27(13) 7_656 . ?
O6 Eu1 O5 133.75(13) . . ?
O3 Eu1 O7 81.23(16) 7_656 . ?
O6 Eu1 O7 71.60(16) . . ?
O5 Eu1 O7 136.70(15) . . ?
O3 Eu1 O4 122.65(13) 7_656 . ?
O6 Eu1 O4 90.17(14) . . ?
O5 Eu1 O4 75.31(14) . . ?
O7 Eu1 O4 147.31(15) . . ?
O3 Eu1 O2 85.36(13) 7_656 . ?
O6 Eu1 O2 140.60(15) . . ?
O5 Eu1 O2 73.13(15) . . ?
O7 Eu1 O2 70.40(16) . . ?
O4 Eu1 O2 128.25(13) . . ?
O3 Eu1 O1 131.52(12) 7_656 . ?
O6 Eu1 O1 148.51(13) . . ?
O5 Eu1 O1 72.27(13) . . ?
O7 Eu1 O1 102.00(16) . . ?
O4 Eu1 O1 79.30(13) . . ?
O2 Eu1 O1 52.51(13) . . ?
O3 Eu1 N3 148.53(14) 7_656 . ?
O6 Eu1 N3 75.49(15) . . ?
O5 Eu1 N3 138.19(15) . . ?
O7 Eu1 N3 73.49(17) . . ?
O4 Eu1 N3 75.79(16) . . ?
O2 Eu1 N3 103.01(17) . . ?
O1 Eu1 N3 73.18(14) . . ?
O3 Eu1 O3 73.94(13) 7_656 . ?
O6 Eu1 O3 66.98(13) . . ?
O5 Eu1 O3 70.14(12) . . ?
O7 Eu1 O3 134.77(15) . . ?
O4 Eu1 O3 50.54(12) . . ?
O2 Eu1 O3 141.63(14) . . ?
O1 Eu1 O3 122.82(12) . . ?
N3 Eu1 O3 111.56(15) . . ?
O3 Eu1 C1 108.76(15) 7_656 . ?
O6 Eu1 C1 154.61(15) . . ?
O5 Eu1 C1 70.95(15) . . ?
O7 Eu1 C1 85.46(17) . . ?
O4 Eu1 C1 104.42(15) . . ?
O2 Eu1 C1 25.90(15) . . ?
O1 Eu1 C1 26.62(15) . . ?
N3 Eu1 C1 87.90(17) . . ?
O3 Eu1 C1 138.10(14) . . ?
O3 Eu1 C9 98.40(14) 7_656 . ?
O6 Eu1 C9 78.30(15) . . ?
O5 Eu1 C9 70.21(14) . . ?
O7 Eu1 C9 149.43(16) . . ?
O4 Eu1 C9 25.06(14) . . ?
O2 Eu1 C9 140.17(15) . . ?
O1 Eu1 C9 100.84(14) . . ?
N3 Eu1 C9 94.18(17) . . ?
O3 Eu1 C9 25.50(13) . . ?
C1 Eu1 C9 122.68(15) . . ?
O3 Eu1 C17 86.9(3) 7_656 . ?
O6 Eu1 C17 86.3(3) . . ?
O5 Eu1 C17 127.3(3) . . ?
O7 Eu1 C17 15.0(4) . . ?
O4 Eu1 C17 149.0(3) . . ?
O2 Eu1 C17 56.7(3) . . ?
O1 Eu1 C17 87.8(3) . . ?
N3 Eu1 C17 73.5(3) . . ?
O3 Eu1 C17 149.3(3) . . ?
C1 Eu1 C17 70.4(4) . . ?
C9 Eu1 C17 162.4(3) . . ?
O2 C1 O1 121.0(5) . . ?
O2 C1 C2 119.3(5) . . ?
O1 C1 C2 119.6(5) . . ?
O2 C1 Eu1 59.1(3) . . ?
O1 C1 Eu1 61.9(3) . . ?
C2 C1 Eu1 177.0(4) . . ?
C7 C2 C3 119.4(6) . . ?
C7 C2 C1 121.2(6) . . ?
C3 C2 C1 119.3(5) . . ?
C4 C3 C2 120.7(6) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 119.8(6) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 119.1(6) . . ?
C4 C5 C8 122.4(6) . . ?
C6 C5 C8 118.4(6) . . ?
C7 C6 C5 120.6(6) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C2 C7 C6 120.2(6) . . ?
C2 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
N1 C8 C5 121.5(6) . . ?
N1 C8 H16 127(5) . . ?
C5 C8 H16 110(5) . . ?
O4 C9 O3 121.4(5) . . ?
O4 C9 C10 118.7(5) . . ?
O3 C9 C10 119.9(5) . . ?
O4 C9 Eu1 55.3(3) . . ?
O3 C9 Eu1 66.2(3) . . ?
C10 C9 Eu1 173.2(4) . . ?
C15 C10 C11 120.6(5) . . ?
C15 C10 C9 118.0(5) . . ?
C11 C10 C9 121.4(5) . . ?
C10 C11 C12 119.6(5) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C11 C12 C13 119.3(5) . . ?
C11 C12 N1 118.3(5) . 3_445 ?
C13 C12 N1 122.3(5) . 3_445 ?
C14 C13 C12 120.2(5) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 119.8(5) . . ?
C13 C14 C16 121.3(5) . . ?
C15 C14 C16 118.9(5) . . ?
C10 C15 C14 120.3(5) . . ?
C10 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
O6 C16 O5 127.0(5) 6 4_645 ?
O6 C16 C14 116.4(5) 6 . ?
O5 C16 C14 116.6(5) 4_645 . ?
N4 C20 N3 109.7(6) . . ?
N4 C20 N6 120.7(7) . . ?
N3 C20 N6 129.4(7) . . ?
N5 C21 N3 115.3(7) . . ?
N5 C21 N6A 113.1(12) . . ?
N3 C21 N6A 131.1(12) . . ?
C8 N1 C12 116.9(5) . 3 ?
C18 N2 C17 114.6(19) . . ?
C18 N2 C19A 126.2(19) . . ?
C17 N2 C19A 118.7(15) . . ?
C18 N2 C18A 52.4(15) . . ?
C17 N2 C18A 149.5(16) . . ?
C19A N2 C18A 82.8(14) . . ?
C18 N2 C19 151(2) . . ?
C17 N2 C19 72.7(14) . . ?
C19A N2 C19 50.9(13) . . ?
C18A N2 C19 133.5(17) . . ?
C21 N3 C20 102.8(6) . . ?
C21 N3 Eu1 125.7(5) . . ?
C20 N3 Eu1 130.1(4) . . ?
C20 N4 N5 110.5(6) . . ?
C20 N4 H17 125(4) . . ?
N5 N4 H17 124(4) . . ?
C21 N5 N4 101.7(6) . . ?
C1 O1 Eu1 91.4(3) . . ?
C1 O2 Eu1 95.0(3) . . ?
C9 O3 Eu1 158.0(4) . 7_656 ?
C9 O3 Eu1 88.3(3) . . ?
Eu1 O3 Eu1 106.06(13) 7_656 . ?
C9 O4 Eu1 99.7(3) . . ?
C16 O5 Eu1 132.7(3) 4_655 . ?
C16 O6 Eu1 135.8(4) 6_556 . ?
C17 O7 Eu1 129.8(11) . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C18A H18D 109.5 . . ?
N2 C18A H18E 109.5 . . ?
H18D C18A H18E 109.5 . . ?
N2 C18A H18F 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
O7 C17 N2 128.1(17) . . ?
O7 C17 Eu1 35.1(8) . . ?
N2 C17 Eu1 162.1(12) . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N2 C19A H19D 109.5 . . ?
N2 C19A H19E 109.5 . . ?
N2 C19A H19F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.778
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.150

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.005 352 55 ' '
2 0.250 0.750 0.000 164 34 ' '
3 0.500 0.500 -0.002 352 55 ' '
4 0.750 0.250 0.000 164 34 ' '
5 0.250 0.250 0.500 164 34 ' '
6 0.750 0.750 0.500 164 34 ' '
_database_code_depnum_ccdc_archive 'CCDC 941901'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-bzIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H8 Eu N O8, C7 H5 N2, O'
_chemical_formula_sum            'C23 H13 Eu N3 O9'
_chemical_formula_weight         627.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.5467(13)
_cell_length_b                   12.9685(7)
_cell_length_c                   14.2361(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.610(4)
_cell_angle_gamma                90.00
_cell_volume                     5437.3(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8274
_cell_measurement_theta_min      2.8652
_cell_measurement_theta_max      29.5626

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2456
_exptl_absorpt_coefficient_mu    2.358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.81762
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27654
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.87
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4780
_reflns_number_gt                3955
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0709P)²+24.3849P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4780
_refine_ls_number_parameters     328
_refine_ls_number_restraints     112
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1256
_refine_ls_wR_factor_gt          0.1201
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.186593(9) 0.70005(2) 0.967551(19) 0.01998(14) Uani 1 1 d . . .
C1 C 0.1023(2) 0.7447(6) 1.0406(5) 0.0330(15) Uani 1 1 d . . .
C2 C 0.0573(2) 0.7682(6) 1.0776(5) 0.0360(16) Uani 1 1 d U . .
C3 C 0.0310(3) 0.6894(7) 1.1084(7) 0.060(3) Uani 1 1 d . . .
H3 H 0.0428 0.6229 1.1131 0.072 Uiso 1 1 calc R . .
C4 C -0.0131(3) 0.7075(7) 1.1328(7) 0.060(3) Uani 1 1 d . . .
H4 H -0.0312 0.6532 1.1505 0.072 Uiso 1 1 calc R . .
C5 C -0.0298(2) 0.8072(6) 1.1302(6) 0.0413(18) Uani 1 1 d . . .
C6 C -0.0025(2) 0.8873(6) 1.1020(6) 0.0481(19) Uani 1 1 d . . .
H6 H -0.0135 0.9546 1.1006 0.058 Uiso 1 1 calc R . .
C7 C 0.0406(2) 0.8674(6) 1.0762(6) 0.0436(19) Uani 1 1 d . . .
H7 H 0.0586 0.9214 1.0576 0.052 Uiso 1 1 calc R . .
C8 C -0.0771(3) 0.8233(7) 1.1507(6) 0.0455(19) Uani 1 1 d DU . .
C9 C 0.2548(2) 0.5656(5) 1.0651(4) 0.0258(14) Uani 1 1 d . . .
C10 C 0.28444(19) 0.4939(5) 1.1245(4) 0.0237(13) Uani 1 1 d . . .
C11 C 0.3305(2) 0.4882(5) 1.1120(4) 0.0284(14) Uani 1 1 d . . .
H11 H 0.3432 0.5308 1.0687 0.034 Uiso 1 1 calc R . .
C12 C 0.3573(2) 0.4184(5) 1.1648(5) 0.0315(15) Uani 1 1 d . . .
C13 C 0.3383(2) 0.3596(5) 1.2332(4) 0.0296(15) Uani 1 1 d . . .
H13 H 0.3564 0.3139 1.2699 0.036 Uiso 1 1 calc R . .
C14 C 0.29241(19) 0.3683(5) 1.2473(4) 0.0259(14) Uani 1 1 d . . .
C15 C 0.2654(2) 0.4345(5) 1.1916(4) 0.0253(13) Uani 1 1 d . . .
H15 H 0.2345 0.4391 1.1992 0.030 Uiso 1 1 calc R . .
C16 C 0.2727(2) 0.3089(5) 1.3251(4) 0.0257(14) Uani 1 1 d . . .
C17 C 0.1940(7) 0.8794(17) 0.6096(13) 0.185(5) Uani 1 1 d DU . .
H17 H 0.2170 0.9267 0.6260 0.222 Uiso 1 1 calc R . .
C18 C 0.1496(7) 0.9119(17) 0.6168(10) 0.177(5) Uani 1 1 d DU . .
H18 H 0.1471 0.9817 0.6304 0.212 Uiso 1 1 calc R . .
C19 C 0.1081(7) 0.8612(16) 0.6077(11) 0.191(4) Uani 1 1 d DU . .
H19 H 0.0790 0.8850 0.6156 0.230 Uiso 1 1 calc R . .
C20 C 0.1233(8) 0.7639(16) 0.5832(8) 0.182(4) Uani 1 1 d DU . .
C21 C 0.1666(7) 0.7268(16) 0.5697(13) 0.182(4) Uani 1 1 d DU . .
C22 C 0.2071(7) 0.7824(16) 0.5802(14) 0.185(4) Uani 1 1 d DU . .
H22 H 0.2361 0.7599 0.5698 0.222 Uiso 1 1 calc R . .
C23 C 0.1100(7) 0.6058(16) 0.5449(13) 0.196(5) Uani 1 1 d DU . .
H23 H 0.0962 0.5429 0.5291 0.235 Uiso 1 1 calc R . .
N1 N -0.09605(17) 0.9119(5) 1.1479(4) 0.0353(13) Uani 1 1 d . . .
N2 N 0.0891(7) 0.6943(16) 0.5686(13) 0.190(4) Uani 1 1 d DU . .
N3 N 0.1549(7) 0.6278(15) 0.5491(12) 0.193(4) Uani 1 1 d DU . .
O1 O 0.12504(16) 0.8168(4) 1.0087(4) 0.0422(13) Uani 1 1 d . . .
O2 O 0.11669(15) 0.6532(4) 1.0431(4) 0.0443(13) Uani 1 1 d . . .
O3 O 0.21319(14) 0.5449(3) 1.0503(3) 0.0326(10) Uani 1 1 d . . .
O4 O 0.22904(13) 0.8539(3) 0.9704(3) 0.0259(9) Uani 1 1 d . . .
O5 O 0.20185(14) 0.7460(4) 1.1299(3) 0.0307(10) Uani 1 1 d . . .
O6 O 0.23256(14) 0.6712(4) 0.8408(3) 0.0312(10) Uani 1 1 d . . .
O7 O 0.1505(2) 0.5514(5) 0.8851(4) 0.0587(15) Uani 1 1 d U . .
O8 O 0.14709(19) 0.7696(5) 0.8250(4) 0.0549(15) Uani 1 1 d . . .
O9 O 0.0678(2) 0.8786(7) 0.8247(6) 0.100(3) Uani 1 1 d . . .
H16 H -0.089(4) 0.756(4) 1.163(8) 0.120 Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O4 2.355(4) . ?
Eu1 O6 2.373(4) . ?
Eu1 O5 2.395(4) . ?
Eu1 O3 2.430(4) . ?
Eu1 O8 2.432(5) . ?
Eu1 O7 2.456(6) . ?
Eu1 O1 2.473(5) . ?
Eu1 O2 2.479(4) . ?
Eu1 O4 2.670(4) 7_567 ?
Eu1 C1 2.834(6) . ?
Eu1 C9 2.928(6) . ?
Eu1 Eu1 4.0019(6) 7_567 ?
C1 O1 1.257(8) . ?
C1 O2 1.260(9) . ?
C1 C2 1.501(9) . ?
C2 C3 1.376(11) . ?
C2 C7 1.377(10) . ?
C3 C4 1.397(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.393(11) . ?
C5 C8 1.467(10) . ?
C6 C7 1.379(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.278(10) . ?
C8 H16 0.96(2) . ?
C9 O3 1.258(8) . ?
C9 O4 1.271(7) 7_567 ?
C9 C10 1.493(8) . ?
C10 C15 1.382(8) . ?
C10 C11 1.389(8) . ?
C11 C12 1.383(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.391(9) . ?
C12 N1 1.421(8) 3_545 ?
C13 C14 1.390(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.377(9) . ?
C14 C16 1.504(8) . ?
C15 H15 0.9300 . ?
C16 O5 1.250(8) 4_547 ?
C16 O6 1.252(7) 6_566 ?
C17 C18 1.390(5) . ?
C17 C22 1.391(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.387(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.393(5) . ?
C19 H19 0.9300 . ?
C20 N2 1.357(5) . ?
C20 C21 1.396(5) . ?
C21 N3 1.355(5) . ?
C21 C22 1.395(5) . ?
C22 H22 0.9300 . ?
C23 N3 1.354(5) . ?
C23 N2 1.359(5) . ?
C23 H23 0.9300 . ?
N1 C12 1.421(8) 3_455 ?
O4 C9 1.271(7) 7_567 ?
O4 Eu1 2.670(4) 7_567 ?
O5 C16 1.250(8) 4_557 ?
O6 C16 1.252(7) 6_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O6 79.06(15) . . ?
O4 Eu1 O5 73.36(15) . . ?
O6 Eu1 O5 134.27(15) . . ?
O4 Eu1 O3 122.80(14) . . ?
O6 Eu1 O3 93.20(16) . . ?
O5 Eu1 O3 73.10(16) . . ?
O4 Eu1 O8 85.40(18) . . ?
O6 Eu1 O8 71.92(17) . . ?
O5 Eu1 O8 138.93(18) . . ?
O3 Eu1 O8 145.75(18) . . ?
O4 Eu1 O7 152.08(17) . . ?
O6 Eu1 O7 76.49(17) . . ?
O5 Eu1 O7 134.23(18) . . ?
O3 Eu1 O7 72.1(2) . . ?
O8 Eu1 O7 74.4(2) . . ?
O4 Eu1 O1 82.98(15) . . ?
O6 Eu1 O1 138.87(16) . . ?
O5 Eu1 O1 72.77(17) . . ?
O3 Eu1 O1 127.40(15) . . ?
O8 Eu1 O1 70.00(18) . . ?
O7 Eu1 O1 107.1(2) . . ?
O4 Eu1 O2 131.38(15) . . ?
O6 Eu1 O2 146.99(16) . . ?
O5 Eu1 O2 75.00(16) . . ?
O3 Eu1 O2 80.51(16) . . ?
O8 Eu1 O2 95.28(19) . . ?
O7 Eu1 O2 70.71(18) . . ?
O1 Eu1 O2 52.65(16) . . ?
O4 Eu1 O4 74.59(15) . 7_567 ?
O6 Eu1 O4 68.52(14) . 7_567 ?
O5 Eu1 O4 69.37(14) . 7_567 ?
O3 Eu1 O4 50.64(13) . 7_567 ?
O8 Eu1 O4 138.23(16) . 7_567 ?
O7 Eu1 O4 108.11(17) . 7_567 ?
O1 Eu1 O4 140.07(16) . 7_567 ?
O2 Eu1 O4 125.50(16) . 7_567 ?
O4 Eu1 C1 107.62(17) . . ?
O6 Eu1 C1 152.19(18) . . ?
O5 Eu1 C1 72.40(17) . . ?
O3 Eu1 C1 104.51(18) . . ?
O8 Eu1 C1 81.59(19) . . ?
O7 Eu1 C1 88.6(2) . . ?
O1 Eu1 C1 26.29(18) . . ?
O2 Eu1 C1 26.36(19) . . ?
O4 Eu1 C1 139.16(16) 7_567 . ?
O4 Eu1 C9 98.68(16) . . ?
O6 Eu1 C9 81.55(16) . . ?
O5 Eu1 C9 67.74(16) . . ?
O3 Eu1 C9 25.01(16) . . ?
O8 Eu1 C9 151.93(17) . . ?
O7 Eu1 C9 90.90(19) . . ?
O1 Eu1 C9 137.98(17) . . ?
O2 Eu1 C9 102.33(17) . . ?
O4 Eu1 C9 25.71(15) 7_567 . ?
C1 Eu1 C9 122.58(18) . . ?
O4 Eu1 Eu1 40.03(10) . 7_567 ?
O6 Eu1 Eu1 69.15(10) . 7_567 ?
O5 Eu1 Eu1 66.20(10) . 7_567 ?
O3 Eu1 Eu1 84.01(10) . 7_567 ?
O8 Eu1 Eu1 116.76(15) . 7_567 ?
O7 Eu1 Eu1 136.67(14) . 7_567 ?
O1 Eu1 Eu1 116.08(13) . 7_567 ?
O2 Eu1 Eu1 140.93(13) . 7_567 ?
O4 Eu1 Eu1 34.56(9) 7_567 7_567 ?
C1 Eu1 Eu1 133.07(14) . 7_567 ?
C9 Eu1 Eu1 59.18(12) . 7_567 ?
O1 C1 O2 121.5(6) . . ?
O1 C1 C2 119.3(6) . . ?
O2 C1 C2 119.1(6) . . ?
O1 C1 Eu1 60.6(3) . . ?
O2 C1 Eu1 60.9(3) . . ?
C2 C1 Eu1 179.0(5) . . ?
C3 C2 C7 119.2(6) . . ?
C3 C2 C1 120.0(7) . . ?
C7 C2 C1 120.7(6) . . ?
C2 C3 C4 121.1(8) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C3 119.2(8) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 119.5(7) . . ?
C4 C5 C8 118.1(7) . . ?
C6 C5 C8 122.3(7) . . ?
C7 C6 C5 120.3(7) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C2 C7 C6 120.6(7) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
N1 C8 C5 123.0(7) . . ?
N1 C8 H16 131(7) . . ?
C5 C8 H16 106(7) . . ?
O3 C9 O4 120.2(6) . 7_567 ?
O3 C9 C10 118.9(5) . . ?
O4 C9 C10 121.0(5) 7_567 . ?
O3 C9 Eu1 54.7(3) . . ?
O4 C9 Eu1 65.7(3) 7_567 . ?
C10 C9 Eu1 171.8(4) . . ?
C15 C10 C11 121.0(6) . . ?
C15 C10 C9 119.1(5) . . ?
C11 C10 C9 119.9(5) . . ?
C12 C11 C10 119.3(6) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C11 C12 C13 119.5(5) . . ?
C11 C12 N1 117.9(6) . 3_545 ?
C13 C12 N1 122.6(6) . 3_545 ?
C14 C13 C12 120.7(6) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C13 119.6(5) . . ?
C15 C14 C16 120.2(5) . . ?
C13 C14 C16 120.2(5) . . ?
C14 C15 C10 119.8(5) . . ?
C14 C15 H15 120.1 . . ?
C10 C15 H15 120.1 . . ?
O5 C16 O6 125.5(6) 4_547 6_566 ?
O5 C16 C14 117.4(5) 4_547 . ?
O6 C16 C14 117.0(5) 6_566 . ?
C18 C17 C22 126(2) . . ?
C18 C17 H17 117.2 . . ?
C22 C17 H17 117.2 . . ?
C19 C18 C17 133(2) . . ?
C19 C18 H18 113.5 . . ?
C17 C18 H18 113.5 . . ?
C18 C19 C20 98.8(19) . . ?
C18 C19 H19 130.6 . . ?
C20 C19 H19 130.6 . . ?
N2 C20 C19 113(2) . . ?
N2 C20 C21 115.5(19) . . ?
C19 C20 C21 132(2) . . ?
N3 C21 C22 136(2) . . ?
N3 C21 C20 97.7(18) . . ?
C22 C21 C20 127(2) . . ?
C17 C22 C21 104(2) . . ?
C17 C22 H22 127.9 . . ?
C21 C22 H22 127.9 . . ?
N3 C23 N2 105.8(19) . . ?
N3 C23 H23 127.1 . . ?
N2 C23 H23 127.1 . . ?
C8 N1 C12 118.4(6) . 3_455 ?
C20 N2 C23 104.6(19) . . ?
C23 N3 C21 116.3(19) . . ?
C1 O1 Eu1 93.1(4) . . ?
C1 O2 Eu1 92.7(4) . . ?
C9 O3 Eu1 100.2(4) . . ?
C9 O4 Eu1 155.0(4) 7_567 . ?
C9 O4 Eu1 88.6(3) 7_567 7_567 ?
Eu1 O4 Eu1 105.41(15) . 7_567 ?
C16 O5 Eu1 135.7(4) 4_557 . ?
C16 O6 Eu1 135.4(4) 6_565 . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.039
_refine_diff_density_min         -1.041
_refine_diff_density_rms         0.152

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.274 493 128 ' '
2 0.000 0.500 0.078 493 128 ' '
_database_code_depnum_ccdc_archive 'CCDC 941902'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-etmIm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H22 Eu N3 O7'
_chemical_formula_sum            'C24 H22 Eu N3 O7'
_chemical_formula_weight         616.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.463(2)
_cell_length_b                   14.6190(11)
_cell_length_c                   12.2810(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.518(8)
_cell_angle_gamma                90.00
_cell_volume                     5231.3(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3760
_cell_measurement_theta_min      3.0382
_cell_measurement_theta_max      28.8644

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2448
_exptl_absorpt_coefficient_mu    2.443
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.39759
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11119
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0646
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.25
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4591
_reflns_number_gt                3660
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0887P)²+60.1560P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4591
_refine_ls_number_parameters     319
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0626
_refine_ls_wR_factor_ref         0.1719
_refine_ls_wR_factor_gt          0.1609
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.815777(13) 0.29165(3) 0.54546(3) 0.02745(19) Uani 1 1 d . . .
O1 O 0.8780(2) 0.1873(4) 0.5137(6) 0.0457(17) Uani 1 1 d . . .
O2 O 0.8864(2) 0.3292(4) 0.4571(5) 0.0395(15) Uani 1 1 d . . .
O3 O 0.78959(19) 0.4325(4) 0.4563(5) 0.0325(13) Uani 1 1 d . . .
O4 O 0.77156(18) 0.1558(4) 0.5362(5) 0.0292(13) Uani 1 1 d . . .
O5 O 0.76964(19) 0.3222(4) 0.6819(5) 0.0344(14) Uani 1 1 d . . .
O6 O 0.7982(2) 0.2490(4) 0.3567(5) 0.0375(14) Uani 1 1 d . . .
O7 O 0.8524(3) 0.2129(4) 0.7166(6) 0.0506(18) Uani 1 1 d U . .
C1 C 0.9006(3) 0.2478(7) 0.4700(8) 0.039(2) Uani 1 1 d . . .
C2 C 0.9457(3) 0.2210(6) 0.4367(8) 0.037(2) Uani 1 1 d . . .
C3 C 0.9584(3) 0.1294(7) 0.4337(9) 0.051(3) Uani 1 1 d . . .
H3 H 0.9380 0.0839 0.4479 0.061 Uiso 1 1 calc R . .
C4 C 1.0017(3) 0.1060(7) 0.4091(9) 0.050(3) Uani 1 1 d . . .
H4 H 1.0101 0.0450 0.4041 0.061 Uiso 1 1 calc R . .
C5 C 1.0325(3) 0.1759(7) 0.3920(9) 0.042(2) Uani 1 1 d . . .
C6 C 1.0192(4) 0.2645(8) 0.3918(11) 0.064(3) Uani 1 1 d . . .
H6 H 1.0391 0.3104 0.3755 0.077 Uiso 1 1 calc R . .
C7 C 0.9760(4) 0.2871(7) 0.4158(11) 0.056(3) Uani 1 1 d . . .
H7 H 0.9676 0.3483 0.4177 0.067 Uiso 1 1 calc R . .
C8 C 1.0796(3) 0.1551(7) 0.3708(9) 0.046(2) Uani 1 1 d D . .
H16 H 1.102(3) 0.203(5) 0.374(9) 0.055 Uiso 1 1 d D . .
C9 C 0.7457(3) 0.4187(5) 0.4383(7) 0.0299(18) Uani 1 1 d . . .
C10 C 0.7160(3) 0.4928(5) 0.3859(7) 0.0288(18) Uani 1 1 d . . .
C11 C 0.6695(3) 0.4975(6) 0.3959(7) 0.0331(19) Uani 1 1 d . . .
H11 H 0.6564 0.4532 0.4359 0.040 Uiso 1 1 calc R . .
C12 C 0.6428(3) 0.5689(6) 0.3454(8) 0.037(2) Uani 1 1 d . . .
C13 C 0.6616(3) 0.6306(6) 0.2790(7) 0.0335(19) Uani 1 1 d . . .
H13 H 0.6432 0.6758 0.2419 0.040 Uiso 1 1 calc R . .
C14 C 0.7073(3) 0.6257(6) 0.2676(7) 0.0302(18) Uani 1 1 d . . .
C15 C 0.7354(3) 0.5582(6) 0.3239(7) 0.0313(19) Uani 1 1 d . . .
H15 H 0.7667 0.5571 0.3200 0.038 Uiso 1 1 calc R . .
C16 C 0.7277(3) 0.3100(6) 0.6936(8) 0.032(2) Uani 1 1 d . . .
C17 C 0.8516(4) 0.4961(8) 0.7104(10) 0.059(3) Uani 1 1 d . . .
C18 C 0.9194(5) 0.4538(9) 0.7995(14) 0.095(5) Uani 1 1 d U . .
C19 C 0.9039(4) 0.3926(9) 0.7232(12) 0.079(4) Uani 1 1 d . . .
H19 H 0.9197 0.3398 0.7097 0.094 Uiso 1 1 calc R . .
C20 C 0.9635(6) 0.4583(13) 0.8787(15) 0.117(6) Uani 1 1 d U . .
H20A H 0.9639 0.5130 0.9221 0.175 Uiso 1 1 calc R . .
H20B H 0.9890 0.4590 0.8382 0.175 Uiso 1 1 calc R . .
H20C H 0.9657 0.4059 0.9262 0.175 Uiso 1 1 calc R . .
C21 C 0.8114(4) 0.5560(9) 0.6755(10) 0.062(3) Uani 1 1 d . . .
H21A H 0.8037 0.5885 0.7391 0.075 Uiso 1 1 calc R . .
H21B H 0.7853 0.5183 0.6465 0.075 Uiso 1 1 calc R . .
C22 C 0.8202(5) 0.6250(8) 0.5882(13) 0.083(4) Uani 1 1 d . . .
H22A H 0.7932 0.6615 0.5677 0.124 Uiso 1 1 calc R . .
H22B H 0.8275 0.5932 0.5247 0.124 Uiso 1 1 calc R . .
H22C H 0.8454 0.6638 0.6172 0.124 Uiso 1 1 calc R . .
C23 C 0.8479(5) 0.2209(9) 0.8315(11) 0.075(4) Uani 1 1 d U . .
H23A H 0.8347 0.2799 0.8447 0.090 Uiso 1 1 calc R . .
H23B H 0.8781 0.2175 0.8755 0.090 Uiso 1 1 calc R . .
C24 C 0.8187(6) 0.1479(11) 0.8657(13) 0.097(5) Uani 1 1 d U . .
H24A H 0.8159 0.1555 0.9420 0.146 Uiso 1 1 calc R . .
H24B H 0.8322 0.0895 0.8550 0.146 Uiso 1 1 calc R . .
H24C H 0.7888 0.1511 0.8222 0.146 Uiso 1 1 calc R . .
N1 N 1.0960(2) 0.0747(5) 0.3624(7) 0.0424(19) Uani 1 1 d . . .
N2 N 0.8609(3) 0.4165(5) 0.6651(7) 0.0445(19) Uani 1 1 d . . .
N3 N 0.8855(4) 0.5219(7) 0.7927(9) 0.076(3) Uani 1 1 d U . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O5 2.351(6) . ?
Eu1 O4 2.368(5) . ?
Eu1 O6 2.382(6) . ?
Eu1 O3 2.405(5) . ?
Eu1 O1 2.459(6) . ?
Eu1 O7 2.497(7) . ?
Eu1 O2 2.544(6) . ?
Eu1 N2 2.584(8) . ?
Eu1 O4 2.730(5) 7_656 ?
Eu1 C1 2.863(9) . ?
Eu1 C9 2.939(8) . ?
O1 C1 1.272(12) . ?
O2 C1 1.264(11) . ?
O3 C9 1.295(10) . ?
O4 C9 1.262(9) 7_656 ?
O4 Eu1 2.730(5) 7_656 ?
O5 C16 1.277(10) . ?
O6 C16 1.252(11) 7_656 ?
O7 C23 1.442(16) . ?
C1 C2 1.501(13) . ?
C2 C7 1.365(13) . ?
C2 C3 1.392(13) . ?
C3 C4 1.398(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.401(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.353(15) . ?
C5 C8 1.481(13) . ?
C6 C7 1.388(14) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.280(12) . ?
C8 H16 0.95(2) . ?
C9 O4 1.262(9) 7_656 ?
C9 C10 1.478(11) . ?
C10 C11 1.395(12) . ?
C10 C15 1.396(11) . ?
C11 C12 1.397(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.385(12) . ?
C12 N1 1.428(11) 3_455 ?
C13 C14 1.376(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.402(11) . ?
C14 C16 1.494(12) 6_565 ?
C15 H15 0.9300 . ?
C16 O6 1.252(11) 7_656 ?
C16 C14 1.494(12) 6_566 ?
C17 N2 1.336(13) . ?
C17 N3 1.364(14) . ?
C17 C21 1.484(15) . ?
C18 C19 1.327(17) . ?
C18 N3 1.403(17) . ?
C18 C20 1.50(2) . ?
C19 N2 1.403(14) . ?
C19 H19 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.522(17) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.47(2) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
N1 C12 1.428(11) 3_545 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Eu1 O4 79.7(2) . . ?
O5 Eu1 O6 132.7(2) . . ?
O4 Eu1 O6 72.2(2) . . ?
O5 Eu1 O3 89.0(2) . . ?
O4 Eu1 O3 123.97(19) . . ?
O6 Eu1 O3 76.8(2) . . ?
O5 Eu1 O1 138.9(2) . . ?
O4 Eu1 O1 83.7(2) . . ?
O6 Eu1 O1 75.1(2) . . ?
O3 Eu1 O1 130.9(2) . . ?
O5 Eu1 O7 73.2(2) . . ?
O4 Eu1 O7 79.6(2) . . ?
O6 Eu1 O7 134.7(2) . . ?
O3 Eu1 O7 147.9(2) . . ?
O1 Eu1 O7 66.9(2) . . ?
O5 Eu1 O2 149.1(2) . . ?
O4 Eu1 O2 129.72(19) . . ?
O6 Eu1 O2 73.5(2) . . ?
O3 Eu1 O2 81.29(19) . . ?
O1 Eu1 O2 52.5(2) . . ?
O7 Eu1 O2 100.3(2) . . ?
O5 Eu1 N2 76.3(2) . . ?
O4 Eu1 N2 148.5(2) . . ?
O6 Eu1 N2 139.3(2) . . ?
O3 Eu1 N2 76.0(2) . . ?
O1 Eu1 N2 101.3(2) . . ?
O7 Eu1 N2 74.1(2) . . ?
O2 Eu1 N2 72.9(2) . . ?
O5 Eu1 O4 66.13(19) . 7_656 ?
O4 Eu1 O4 74.70(19) . 7_656 ?
O6 Eu1 O4 70.05(19) . 7_656 ?
O3 Eu1 O4 51.00(17) . 7_656 ?
O1 Eu1 O4 143.1(2) . 7_656 ?
O7 Eu1 O4 134.8(2) . 7_656 ?
O2 Eu1 O4 124.65(19) . 7_656 ?
N2 Eu1 O4 112.8(2) . 7_656 ?
O5 Eu1 C1 153.8(2) . . ?
O4 Eu1 C1 107.3(2) . . ?
O6 Eu1 C1 72.6(2) . . ?
O3 Eu1 C1 106.3(2) . . ?
O1 Eu1 C1 26.3(2) . . ?
O7 Eu1 C1 83.1(3) . . ?
O2 Eu1 C1 26.2(2) . . ?
N2 Eu1 C1 86.7(3) . . ?
O4 Eu1 C1 139.9(2) 7_656 . ?
O5 Eu1 C9 76.0(2) . . ?
O4 Eu1 C9 99.4(2) . . ?
O6 Eu1 C9 72.1(2) . . ?
O3 Eu1 C9 25.6(2) . . ?
O1 Eu1 C9 144.2(2) . . ?
O7 Eu1 C9 148.8(2) . . ?
O2 Eu1 C9 103.7(2) . . ?
N2 Eu1 C9 94.4(2) . . ?
O4 Eu1 C9 25.38(19) 7_656 . ?
C1 Eu1 C9 125.8(3) . . ?
O5 Eu1 Eu1 67.89(14) . 7_656 ?
O4 Eu1 Eu1 40.45(13) . 7_656 ?
O6 Eu1 Eu1 65.94(14) . 7_656 ?
O3 Eu1 Eu1 84.42(13) . 7_656 ?
O1 Eu1 Eu1 118.29(17) . 7_656 ?
O7 Eu1 Eu1 111.68(18) . 7_656 ?
O2 Eu1 Eu1 139.05(15) . 7_656 ?
N2 Eu1 Eu1 139.28(18) . 7_656 ?
O4 Eu1 Eu1 34.25(11) 7_656 7_656 ?
C1 Eu1 Eu1 133.41(19) . 7_656 ?
C9 Eu1 Eu1 59.18(15) . 7_656 ?
C1 O1 Eu1 94.9(5) . . ?
C1 O2 Eu1 91.1(5) . . ?
C9 O3 Eu1 100.9(5) . . ?
C9 O4 Eu1 162.1(5) 7_656 . ?
C9 O4 Eu1 86.6(4) 7_656 7_656 ?
Eu1 O4 Eu1 105.30(19) . 7_656 ?
C16 O5 Eu1 136.5(6) . . ?
C16 O6 Eu1 133.6(6) 7_656 . ?
C23 O7 Eu1 134.1(7) . . ?
O2 C1 O1 121.6(8) . . ?
O2 C1 C2 120.1(8) . . ?
O1 C1 C2 118.4(8) . . ?
O2 C1 Eu1 62.7(4) . . ?
O1 C1 Eu1 58.9(5) . . ?
C2 C1 Eu1 176.4(7) . . ?
C7 C2 C3 119.3(9) . . ?
C7 C2 C1 119.9(8) . . ?
C3 C2 C1 120.6(8) . . ?
C2 C3 C4 119.9(9) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C5 119.1(9) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C6 C5 C4 120.4(9) . . ?
C6 C5 C8 118.3(9) . . ?
C4 C5 C8 121.3(9) . . ?
C5 C6 C7 120.0(10) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C2 C7 C6 121.2(9) . . ?
C2 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
N1 C8 C5 125.3(9) . . ?
N1 C8 H16 114(7) . . ?
C5 C8 H16 120(7) . . ?
O4 C9 O3 121.4(7) 7_656 . ?
O4 C9 C10 120.5(7) 7_656 . ?
O3 C9 C10 118.1(7) . . ?
O4 C9 Eu1 68.0(4) 7_656 . ?
O3 C9 Eu1 53.5(4) . . ?
C10 C9 Eu1 171.4(5) . . ?
C11 C10 C15 120.0(7) . . ?
C11 C10 C9 121.5(7) . . ?
C15 C10 C9 118.4(7) . . ?
C10 C11 C12 119.6(8) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C13 C12 C11 120.0(8) . . ?
C13 C12 N1 121.8(8) . 3_455 ?
C11 C12 N1 118.2(8) . 3_455 ?
C14 C13 C12 120.6(8) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 120.1(8) . . ?
C13 C14 C16 121.1(7) . 6_565 ?
C15 C14 C16 118.8(7) . 6_565 ?
C10 C15 C14 119.5(7) . . ?
C10 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
O6 C16 O5 124.7(8) 7_656 . ?
O6 C16 C14 117.6(7) 7_656 6_566 ?
O5 C16 C14 117.6(7) . 6_566 ?
N2 C17 N3 112.2(10) . . ?
N2 C17 C21 126.6(10) . . ?
N3 C17 C21 121.1(11) . . ?
C19 C18 N3 105.6(10) . . ?
C19 C18 C20 131.3(14) . . ?
N3 C18 C20 123.1(13) . . ?
C18 C19 N2 112.5(11) . . ?
C18 C19 H19 123.8 . . ?
N2 C19 H19 123.8 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 C22 112.5(10) . . ?
C17 C21 H21A 109.1 . . ?
C22 C21 H21A 109.1 . . ?
C17 C21 H21B 109.1 . . ?
C22 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O7 C23 C24 111.3(12) . . ?
O7 C23 H23A 109.4 . . ?
C24 C23 H23A 109.4 . . ?
O7 C23 H23B 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C8 N1 C12 116.8(8) . 3_545 ?
C17 N2 C19 103.3(9) . . ?
C17 N2 Eu1 137.2(7) . . ?
C19 N2 Eu1 117.6(7) . . ?
C17 N3 C18 106.5(10) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.837
_refine_diff_density_min         -1.513
_refine_diff_density_rms         0.197

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.854 0.250 124 33 ' '
2 0.500 0.354 0.250 124 33 ' '
3 0.000 0.146 0.750 124 33 ' '
4 0.500 0.646 0.750 124 33 ' '
_database_code_depnum_ccdc_archive 'CCDC 941903'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-Im

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H14 Eu N5 O6'
_chemical_formula_sum            'C22 H14 Eu N5 O6'
_chemical_formula_weight         596.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   28.6627(10)
_cell_length_b                   14.0581(4)
_cell_length_c                   13.1543(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.307(4)
_cell_angle_gamma                90.00
_cell_volume                     5178.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4675
_cell_measurement_theta_min      3.1536
_cell_measurement_theta_max      67.1093

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2336
_exptl_absorpt_coefficient_mu    17.715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.14811
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9538
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.16
_diffrn_reflns_theta_max         67.00
_reflns_number_total             4601
_reflns_number_gt                4046
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1335P)²+6.2746P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4601
_refine_ls_number_parameters     310
_refine_ls_number_restraints     112
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0602
_refine_ls_wR_factor_ref         0.1820
_refine_ls_wR_factor_gt          0.1761
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.120
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.316945(11) 0.70267(2) 0.05854(3) 0.0273(2) Uani 1 1 d . . .
C1 C 0.4049(2) 0.7378(6) 0.0013(6) 0.0413(16) Uani 1 1 d . . .
C2 C 0.4475(2) 0.7658(6) -0.0429(6) 0.0445(17) Uani 1 1 d . . .
C3 C 0.4603(3) 0.8578(6) -0.0494(8) 0.056(2) Uani 1 1 d . . .
H3 H 0.4420 0.9058 -0.0287 0.067 Uiso 1 1 calc R . .
C4 C 0.5014(3) 0.8810(6) -0.0875(7) 0.053(2) Uani 1 1 d . . .
H4 H 0.5095 0.9445 -0.0935 0.064 Uiso 1 1 calc R . .
C5 C 0.5287(3) 0.8123(6) -0.1152(8) 0.054(2) Uani 1 1 d . . .
C6 C 0.5158(5) 0.7163(8) -0.1089(14) 0.096(5) Uani 1 1 d U . .
H6 H 0.5345 0.6682 -0.1282 0.116 Uiso 1 1 calc R . .
C7 C 0.4755(5) 0.6944(7) -0.0741(11) 0.080(4) Uani 1 1 d . . .
H7 H 0.4664 0.6311 -0.0712 0.096 Uiso 1 1 calc R . .
C8 C 0.5742(3) 0.8330(7) -0.1459(8) 0.058(2) Uani 1 1 d D . .
H16 H 0.598(3) 0.783(6) -0.151(9) 0.070 Uiso 1 1 d D . .
C9 C 0.2794(3) 0.8167(5) -0.1708(6) 0.0381(15) Uani 1 1 d . . .
C10 C 0.2987(2) 0.8787(5) -0.2467(5) 0.0385(15) Uani 1 1 d . . .
C11 C 0.2701(2) 0.9468(5) -0.3020(5) 0.0332(13) Uani 1 1 d . . .
H11 H 0.2387 0.9529 -0.2943 0.040 Uiso 1 1 calc R . .
C12 C 0.2130(2) 0.5073(5) -0.1301(5) 0.0347(14) Uani 1 1 d . . .
C13 C 0.1661(2) 0.4975(5) -0.1173(6) 0.0386(15) Uani 1 1 d . . .
H13 H 0.1541 0.5390 -0.0742 0.046 Uiso 1 1 calc R . .
C14 C 0.6374(2) 0.9247(6) -0.1700(6) 0.0416(16) Uani 1 1 d . . .
C15 C 0.3453(3) 0.8684(5) -0.2603(5) 0.0397(15) Uani 1 1 d . . .
H15 H 0.3651 0.8229 -0.2219 0.048 Uiso 1 1 calc R . .
C16 C 0.2459(2) 0.5792(5) -0.0700(5) 0.0327(13) Uani 1 1 d . . .
C17 C 0.3712(4) 0.4823(8) 0.1463(11) 0.120(3) Uani 1 1 d DU . .
H17 H 0.3753 0.4689 0.0795 0.144 Uiso 1 1 calc R . .
C18 C 0.3805(5) 0.4199(10) 0.2261(9) 0.126(4) Uani 1 1 d DU . .
H18 H 0.3918 0.3581 0.2237 0.151 Uiso 1 1 calc R . .
C19 C 0.3558(3) 0.5519(7) 0.2759(6) 0.071(2) Uani 1 1 d DU . .
H19 H 0.3469 0.5982 0.3186 0.085 Uiso 1 1 calc R . .
C20 C 0.3903(6) 0.8161(10) 0.2853(11) 0.135(4) Uani 1 1 d DU . .
H20 H 0.4195 0.8095 0.2660 0.163 Uiso 1 1 calc R . .
C21 C 0.3404(6) 0.8695(13) 0.3800(15) 0.160(5) Uani 1 1 d DU . .
H21 H 0.3249 0.8985 0.4270 0.192 Uiso 1 1 calc R . .
C22 C 0.3259(8) 0.8102(12) 0.2985(13) 0.153(4) Uani 1 1 d DU . .
H22 H 0.2938 0.7934 0.2858 0.184 Uiso 1 1 calc R . .
N1 N 0.5917(2) 0.9144(5) -0.1461(5) 0.0492(16) Uani 1 1 d . . .
N2 N 0.3553(3) 0.5666(7) 0.1749(5) 0.075(2) Uani 1 1 d DU . .
N3 N 0.3703(3) 0.4641(7) 0.3098(8) 0.097(3) Uani 1 1 d DU . .
N4 N 0.3510(5) 0.7716(9) 0.2325(10) 0.111(3) Uani 1 1 d DU . .
N5 N 0.3860(6) 0.8708(11) 0.3675(12) 0.146(4) Uani 1 1 d DU . .
O4 O 0.27127(16) 0.8425(3) 0.0454(4) 0.0391(10) Uani 1 1 d . . .
O6 O 0.30689(17) 0.7583(4) -0.1179(4) 0.0440(12) Uani 1 1 d . . .
O1 O 0.38927(17) 0.6548(4) -0.0071(4) 0.0413(11) Uani 1 1 d . . .
O2 O 0.3862(2) 0.8011(4) 0.0475(6) 0.064(2) Uani 1 1 d . . .
O3 O 0.26387(18) 0.6691(5) 0.1676(4) 0.0480(13) Uani 1 1 d . . .
O5 O 0.28944(17) 0.5626(4) -0.0444(4) 0.0436(11) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O4 2.348(5) . ?
Eu1 O3 2.350(4) . ?
Eu1 O6 2.407(5) . ?
Eu1 O5 2.424(5) . ?
Eu1 O2 2.450(5) . ?
Eu1 N4 2.485(14) . ?
Eu1 O1 2.501(4) . ?
Eu1 N2 2.548(9) . ?
Eu1 O4 2.682(5) 7_565 ?
Eu1 C1 2.824(6) . ?
Eu1 C16 2.925(6) . ?
C1 O1 1.246(10) . ?
C1 O2 1.260(10) . ?
C1 C2 1.512(9) . ?
C2 C3 1.351(12) . ?
C2 C7 1.400(13) . ?
C3 C4 1.413(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.343(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.407(13) . ?
C5 C8 1.474(10) . ?
C6 C7 1.366(13) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.248(11) . ?
C8 H16 1.00(2) . ?
C9 O6 1.244(9) . ?
C9 O3 1.267(9) 7_565 ?
C9 C10 1.515(9) . ?
C10 C11 1.366(10) . ?
C10 C15 1.392(9) . ?
C11 C12 1.393(9) 4_554 ?
C11 H11 0.9300 . ?
C12 C11 1.393(9) 4_544 ?
C12 C13 1.395(8) . ?
C12 C16 1.489(9) . ?
C13 C14 1.401(10) 3_445 ?
C13 H13 0.9300 . ?
C14 C15 1.380(10) 2_654 ?
C14 C13 1.401(10) 3 ?
C14 N1 1.420(8) . ?
C15 C14 1.380(10) 2_654 ?
C15 H15 0.9300 . ?
C16 O5 1.243(8) . ?
C16 O4 1.276(8) 7_565 ?
C17 C18 1.350(5) . ?
C17 N2 1.351(5) . ?
C17 H17 0.9300 . ?
C18 N3 1.350(5) . ?
C18 H18 0.9300 . ?
C19 N2 1.342(5) . ?
C19 N3 1.348(5) . ?
C19 H19 0.9300 . ?
C20 N4 1.345(5) . ?
C20 N5 1.353(5) . ?
C20 C22 1.89(3) . ?
C20 H20 0.9300 . ?
C21 N5 1.352(5) . ?
C21 C22 1.352(5) . ?
C21 H21 0.9300 . ?
C22 N4 1.353(5) . ?
C22 N5 1.96(3) . ?
C22 H22 0.9300 . ?
O4 C16 1.276(8) 7_565 ?
O4 Eu1 2.682(5) 7_565 ?
O3 C9 1.267(9) 7_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O3 77.86(18) . . ?
O4 Eu1 O6 72.95(16) . . ?
O3 Eu1 O6 133.90(17) . . ?
O4 Eu1 O5 121.95(17) . . ?
O3 Eu1 O5 90.1(2) . . ?
O6 Eu1 O5 76.55(19) . . ?
O4 Eu1 O2 88.21(19) . . ?
O3 Eu1 O2 142.0(2) . . ?
O6 Eu1 O2 72.0(2) . . ?
O5 Eu1 O2 126.66(18) . . ?
O4 Eu1 N4 81.1(3) . . ?
O3 Eu1 N4 72.2(3) . . ?
O6 Eu1 N4 134.8(3) . . ?
O5 Eu1 N4 148.0(3) . . ?
O2 Eu1 N4 70.8(3) . . ?
O4 Eu1 O1 133.61(16) . . ?
O3 Eu1 O1 148.05(18) . . ?
O6 Eu1 O1 72.08(16) . . ?
O5 Eu1 O1 77.51(16) . . ?
O2 Eu1 O1 52.39(18) . . ?
N4 Eu1 O1 103.4(3) . . ?
O4 Eu1 N2 146.66(19) . . ?
O3 Eu1 N2 74.7(2) . . ?
O6 Eu1 N2 140.4(2) . . ?
O5 Eu1 N2 76.9(3) . . ?
O2 Eu1 N2 102.0(3) . . ?
N4 Eu1 N2 72.8(3) . . ?
O1 Eu1 N2 73.85(19) . . ?
O4 Eu1 O4 73.17(18) . 7_565 ?
O3 Eu1 O4 66.48(17) . 7_565 ?
O6 Eu1 O4 71.30(16) . 7_565 ?
O5 Eu1 O4 50.50(15) . 7_565 ?
O2 Eu1 O4 142.3(2) . 7_565 ?
N4 Eu1 O4 134.8(3) . 7_565 ?
O1 Eu1 O4 121.41(16) . 7_565 ?
N2 Eu1 O4 111.6(2) . 7_565 ?
O4 Eu1 C1 110.5(2) . . ?
O3 Eu1 C1 158.2(2) . . ?
O6 Eu1 C1 67.45(19) . . ?
O5 Eu1 C1 101.28(19) . . ?
O2 Eu1 C1 26.4(2) . . ?
N4 Eu1 C1 88.9(3) . . ?
O1 Eu1 C1 26.2(2) . . ?
N2 Eu1 C1 89.7(2) . . ?
O4 Eu1 C1 134.73(17) 7_565 . ?
O4 Eu1 C16 98.39(18) . . ?
O3 Eu1 C16 76.8(2) . . ?
O6 Eu1 C16 73.12(19) . . ?
O5 Eu1 C16 24.68(17) . . ?
O2 Eu1 C16 140.7(2) . . ?
N4 Eu1 C16 148.4(3) . . ?
O1 Eu1 C16 99.61(16) . . ?
N2 Eu1 C16 93.4(2) . . ?
O4 Eu1 C16 25.84(16) 7_565 . ?
C1 Eu1 C16 120.04(18) . . ?
O4 Eu1 Eu1 39.41(12) . 7_565 ?
O3 Eu1 Eu1 67.24(13) . 7_565 ?
O6 Eu1 Eu1 67.49(11) . 7_565 ?
O5 Eu1 Eu1 83.42(12) . 7_565 ?
O2 Eu1 Eu1 120.46(18) . 7_565 ?
N4 Eu1 Eu1 112.1(3) . 7_565 ?
O1 Eu1 Eu1 138.25(12) . 7_565 ?
N2 Eu1 Eu1 136.81(18) . 7_565 ?
O4 Eu1 Eu1 33.76(10) 7_565 7_565 ?
C1 Eu1 Eu1 132.04(17) . 7_565 ?
C16 Eu1 Eu1 59.19(13) . 7_565 ?
O1 C1 O2 121.5(6) . . ?
O1 C1 C2 121.0(7) . . ?
O2 C1 C2 117.5(7) . . ?
O1 C1 Eu1 62.3(3) . . ?
O2 C1 Eu1 60.0(3) . . ?
C2 C1 Eu1 171.0(6) . . ?
C3 C2 C7 119.2(7) . . ?
C3 C2 C1 121.8(8) . . ?
C7 C2 C1 119.0(8) . . ?
C2 C3 C4 120.1(8) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 120.6(8) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.9(7) . . ?
C4 C5 C8 122.3(8) . . ?
C6 C5 C8 117.7(8) . . ?
C7 C6 C5 119.2(9) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C6 C7 C2 121.1(9) . . ?
C6 C7 H7 119.5 . . ?
C2 C7 H7 119.5 . . ?
N1 C8 C5 124.0(8) . . ?
N1 C8 H16 111(6) . . ?
C5 C8 H16 123(6) . . ?
O6 C9 O3 126.3(7) . 7_565 ?
O6 C9 C10 118.2(6) . . ?
O3 C9 C10 115.5(6) 7_565 . ?
C11 C10 C15 119.3(6) . . ?
C11 C10 C9 119.4(6) . . ?
C15 C10 C9 121.3(6) . . ?
C10 C11 C12 121.1(6) . 4_554 ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 4_554 . ?
C11 C12 C13 119.6(6) 4_544 . ?
C11 C12 C16 119.1(5) 4_544 . ?
C13 C12 C16 121.3(6) . . ?
C12 C13 C14 119.4(6) . 3_445 ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 3_445 . ?
C15 C14 C13 119.4(6) 2_654 3 ?
C15 C14 N1 124.6(6) 2_654 . ?
C13 C14 N1 116.0(6) 3 . ?
C14 C15 C10 121.0(7) 2_654 . ?
C14 C15 H15 119.5 2_654 . ?
C10 C15 H15 119.5 . . ?
O5 C16 O4 120.8(6) . 7_565 ?
O5 C16 C12 120.2(6) . . ?
O4 C16 C12 119.0(6) 7_565 . ?
O5 C16 Eu1 54.5(3) . . ?
O4 C16 Eu1 66.4(3) 7_565 . ?
C12 C16 Eu1 173.7(5) . . ?
C18 C17 N2 112.1(12) . . ?
C18 C17 H17 123.9 . . ?
N2 C17 H17 123.9 . . ?
C17 C18 N3 107.1(12) . . ?
C17 C18 H18 126.5 . . ?
N3 C18 H18 126.5 . . ?
N2 C19 N3 114.0(9) . . ?
N2 C19 H19 123.0 . . ?
N3 C19 H19 123.0 . . ?
N4 C20 N5 118.0(17) . . ?
N4 C20 C22 45.6(9) . . ?
N5 C20 C22 72.3(13) . . ?
N4 C20 H20 121.0 . . ?
N5 C20 H20 121.0 . . ?
C22 C20 H20 166.6 . . ?
N5 C21 C22 93.2(18) . . ?
N5 C21 H21 133.4 . . ?
C22 C21 H21 133.4 . . ?
C21 C22 N4 130(2) . . ?
C21 C22 C20 84.4(14) . . ?
N4 C22 C20 45.3(8) . . ?
C21 C22 N5 43.4(9) . . ?
N4 C22 N5 86.3(13) . . ?
C20 C22 N5 41.0(6) . . ?
C21 C22 H22 115.1 . . ?
N4 C22 H22 115.1 . . ?
C20 C22 H22 160.4 . . ?
N5 C22 H22 158.5 . . ?
C8 N1 C14 118.9(7) . . ?
C19 N2 C17 102.0(10) . . ?
C19 N2 Eu1 128.5(6) . . ?
C17 N2 Eu1 128.3(7) . . ?
C19 N3 C18 104.8(10) . . ?
C20 N4 C22 89.1(17) . . ?
C20 N4 Eu1 141.1(11) . . ?
C22 N4 Eu1 126.1(12) . . ?
C21 N5 C20 110.1(17) . . ?
C21 N5 C22 43.4(9) . . ?
C20 N5 C22 66.6(12) . . ?
C16 O4 Eu1 160.6(5) 7_565 . ?
C16 O4 Eu1 87.8(4) 7_565 7_565 ?
Eu1 O4 Eu1 106.83(18) . 7_565 ?
C9 O6 Eu1 133.3(4) . . ?
C1 O1 Eu1 91.5(4) . . ?
C1 O2 Eu1 93.6(4) . . ?
C9 O3 Eu1 139.1(5) 7_565 . ?
C16 O5 Eu1 100.8(4) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        67.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.491
_refine_diff_density_min         -1.405
_refine_diff_density_rms         0.165

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.010 393 113 ' '
2 0.253 0.252 -0.001 151 46 ' '
3 0.501 0.501 -0.001 390 113 ' '
4 0.750 0.750 0.000 148 46 ' '
5 0.250 0.750 0.500 147 46 ' '
6 0.750 0.250 0.500 147 46 ' '
_database_code_depnum_ccdc_archive 'CCDC 941904'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-Ima

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H12 Eu N3 O7'
_chemical_formula_sum            'C20 H12 Eu N3 O7'
_chemical_formula_weight         558.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.081(2)
_cell_length_b                   13.3943(12)
_cell_length_c                   13.5384(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.053(8)
_cell_angle_gamma                90.00
_cell_volume                     5221.4(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2474
_cell_measurement_theta_min      3.0069
_cell_measurement_theta_max      24.9999

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2176.0
_exptl_absorpt_coefficient_mu    2.440
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49028
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13020
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.04
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4603
_reflns_number_gt                3863
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1078P)²+25.8794P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4590
_refine_ls_number_parameters     283
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_ref         0.1700
_refine_ls_wR_factor_gt          0.1643
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.3758(2) 0.6853(4) 0.0083(5) 0.0530(15) Uani 1 1 d . . .
O2 O 0.38660(18) 0.8455(4) -0.0161(4) 0.0517(14) Uani 1 1 d . . .
O3 O 0.28781(16) 0.9521(4) -0.0412(4) 0.0394(11) Uani 1 1 d . . .
O4 O 0.27136(16) 0.6485(4) 0.0303(4) 0.0392(11) Uani 1 1 d . . .
O5 O 0.30178(17) 0.7616(4) -0.1318(4) 0.0389(11) Uani 1 1 d . . .
O6 O 0.26682(18) 0.8130(4) 0.1732(4) 0.0482(14) Uani 1 1 d . . .
O7 O 0.3636(3) 0.7479(7) 0.1976(5) 0.085(2) Uani 1 1 d U . .
N1 N 0.5922(2) 0.5844(6) -0.1510(6) 0.060(2) Uani 1 1 d . . .
N2 N 0.3436(3) 0.9487(6) 0.1569(6) 0.0653(19) Uani 1 1 d U . .
N3 N 0.3416(3) 1.0746(7) 0.2653(7) 0.079(2) Uani 1 1 d U . .
C1 C 0.3992(3) 0.7561(7) -0.0189(6) 0.0474(19) Uani 1 1 d . . .
C2 C 0.4436(3) 0.7337(8) -0.0580(7) 0.054(2) Uani 1 1 d . . .
C3 C 0.4708(4) 0.8081(8) -0.0861(11) 0.080(4) Uani 1 1 d . . .
H3 H 0.4609 0.8741 -0.0841 0.096 Uiso 1 1 calc R . .
C4 C 0.5132(4) 0.7867(9) -0.1178(13) 0.094(5) Uani 1 1 d . . .
H4 H 0.5313 0.8383 -0.1376 0.113 Uiso 1 1 calc R . .
C5 C 0.5284(4) 0.6895(8) -0.1199(9) 0.068(3) Uani 1 1 d . . .
C6 C 0.5012(4) 0.6150(8) -0.0944(9) 0.077(3) Uani 1 1 d . . .
H6 H 0.5112 0.5493 -0.0979 0.092 Uiso 1 1 calc R . .
C7 C 0.4582(3) 0.6346(8) -0.0626(8) 0.073(3) Uani 1 1 d . . .
H7 H 0.4398 0.5826 -0.0450 0.087 Uiso 1 1 calc R . .
C8 C 0.5751(4) 0.6705(9) -0.1480(8) 0.067(3) Uani 1 1 d D . .
C9 C 0.2452(3) 0.9323(5) -0.0623(5) 0.0390(16) Uani 1 1 d . . .
C10 C 0.2138(2) 1.0020(5) -0.1226(5) 0.0357(15) Uani 1 1 d . . .
C11 C 0.2324(2) 1.0678(5) -0.1874(5) 0.0382(16) Uani 1 1 d . . .
H11 H 0.2640 1.0659 -0.1911 0.046 Uiso 1 1 calc R . .
C12 C 0.2047(2) 0.8649(5) 0.2544(5) 0.0379(15) Uani 1 1 d . . .
C13 C 0.6671(3) 0.5086(6) -0.1159(5) 0.0430(17) Uani 1 1 d . . .
H13 H 0.6540 0.4644 -0.0749 0.052 Uiso 1 1 calc R . .
C14 C 0.6394(3) 0.5793(6) -0.1687(6) 0.0487(19) Uani 1 1 d . . .
C15 C 0.6576(3) 0.6399(6) -0.2373(6) 0.0462(18) Uani 1 1 d . . .
H15 H 0.6383 0.6835 -0.2775 0.055 Uiso 1 1 calc R . .
C16 C 0.2244(3) 0.8007(5) 0.1811(6) 0.0382(17) Uani 1 1 d . . .
C17 C 0.3256(5) 1.0384(10) 0.1776(10) 0.092(3) Uani 1 1 d U . .
H17 H 0.3037 1.0716 0.1328 0.111 Uiso 1 1 calc R . .
C18 C 0.3628(5) 1.0052(11) 0.3142(11) 0.097(3) Uani 1 1 d U . .
H18 H 0.3774 1.0065 0.3799 0.117 Uiso 1 1 calc R . .
C19 C 0.3597(5) 0.9289(10) 0.2500(9) 0.089(3) Uani 1 1 d U . .
C20 C 0.3776(6) 0.8232(11) 0.2599(12) 0.108(4) Uani 1 1 d U . .
H20A H 0.4109 0.8276 0.2615 0.129 Uiso 1 1 calc R . .
H20B H 0.3724 0.8009 0.3256 0.129 Uiso 1 1 calc R . .
H16 H 0.588(5) 0.732(7) -0.176(11) 0.129 Uiso 1 1 d D . .
Eu1 Eu 0.314072(11) 0.79913(2) 0.04433(2) 0.03370(18) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C1 1.252(10) . ?
O1 Eu1 2.457(5) . ?
O2 C1 1.254(11) . ?
O2 Eu1 2.447(5) . ?
O3 C9 1.262(9) . ?
O3 Eu1 2.423(5) . ?
O4 C9 1.284(9) 7_565 ?
O4 Eu1 2.362(5) . ?
O4 Eu1 2.643(5) 7_565 ?
O5 C16 1.256(9) 7_565 ?
O5 Eu1 2.415(5) . ?
O6 C16 1.264(10) . ?
O6 Eu1 2.375(5) . ?
O7 C20 1.340(16) . ?
O7 Eu1 2.452(7) . ?
N1 C8 1.259(13) . ?
N1 C14 1.427(10) . ?
N2 C19 1.308(14) . ?
N2 C17 1.355(14) . ?
N2 Eu1 2.589(8) . ?
N3 C18 1.253(16) . ?
N3 C17 1.305(15) . ?
C1 C2 1.493(11) . ?
C1 Eu1 2.790(7) . ?
C2 C3 1.360(14) . ?
C2 C7 1.399(14) . ?
C3 C4 1.390(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.379(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.348(14) . ?
C5 C8 1.480(13) . ?
C6 C7 1.403(12) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 H16 1.00(2) . ?
C9 O4 1.284(9) 7_565 ?
C9 C10 1.470(10) . ?
C9 Eu1 2.911(7) . ?
C10 C13 1.376(10) 3_455 ?
C10 C11 1.404(9) . ?
C11 C12 1.379(10) 6_575 ?
C11 H11 0.9300 . ?
C12 C11 1.379(10) 6_576 ?
C12 C15 1.393(10) 8_466 ?
C12 C16 1.487(10) . ?
C13 C10 1.376(10) 3_545 ?
C13 C14 1.376(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.393(11) . ?
C15 C12 1.394(10) 8_565 ?
C15 H15 0.9300 . ?
C16 O5 1.256(9) 7_565 ?
C17 C19 1.954(19) . ?
C17 H17 0.9300 . ?
C18 C19 1.337(17) . ?
C18 H18 0.9300 . ?
C19 C20 1.509(18) . ?
C20 Eu1 3.243(16) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
Eu1 O4 2.642(5) 7_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 O1 Eu1 91.7(5) . . ?
C1 O2 Eu1 92.1(5) . . ?
C9 O3 Eu1 99.5(4) . . ?
C9 O4 Eu1 155.5(5) 7_565 . ?
C9 O4 Eu1 88.7(4) 7_565 7_565 ?
Eu1 O4 Eu1 105.06(18) . 7_565 ?
C16 O5 Eu1 131.1(4) 7_565 . ?
C16 O6 Eu1 136.3(5) . . ?
C20 O7 Eu1 114.3(8) . . ?
C8 N1 C14 116.3(8) . . ?
C19 N2 C17 94.4(10) . . ?
C19 N2 Eu1 117.1(8) . . ?
C17 N2 Eu1 134.6(8) . . ?
C18 N3 C17 107.0(11) . . ?
O1 C1 O2 122.9(7) . . ?
O1 C1 C2 118.9(8) . . ?
O2 C1 C2 118.2(8) . . ?
O1 C1 Eu1 61.7(4) . . ?
O2 C1 Eu1 61.2(4) . . ?
C2 C1 Eu1 177.1(6) . . ?
C3 C2 C7 119.4(8) . . ?
C3 C2 C1 121.2(9) . . ?
C7 C2 C1 119.4(9) . . ?
C2 C3 C4 120.7(10) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 120.3(10) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C6 C5 C4 119.4(9) . . ?
C6 C5 C8 122.0(9) . . ?
C4 C5 C8 118.5(10) . . ?
C5 C6 C7 121.4(10) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C2 C7 C6 118.8(9) . . ?
C2 C7 H7 120.6 . . ?
C6 C7 H7 120.6 . . ?
N1 C8 C5 123.1(10) . . ?
N1 C8 H16 125(9) . . ?
C5 C8 H16 111(10) . . ?
O3 C9 O4 120.2(7) . 7_565 ?
O3 C9 C10 120.5(6) . . ?
O4 C9 C10 119.3(6) 7_565 . ?
O3 C9 Eu1 55.2(4) . . ?
O4 C9 Eu1 65.2(4) 7_565 . ?
C10 C9 Eu1 174.4(5) . . ?
C13 C10 C11 118.1(6) 3_455 . ?
C13 C10 C9 123.1(6) 3_455 . ?
C11 C10 C9 118.8(6) . . ?
C12 C11 C10 121.5(6) 6_575 . ?
C12 C11 H11 119.2 6_575 . ?
C10 C11 H11 119.2 . . ?
C11 C12 C15 119.0(7) 6_576 8_466 ?
C11 C12 C16 120.8(6) 6_576 . ?
C15 C12 C16 120.1(7) 8_466 . ?
C10 C13 C14 121.5(7) 3_545 . ?
C10 C13 H13 119.3 3_545 . ?
C14 C13 H13 119.3 . . ?
C13 C14 C15 119.8(7) . . ?
C13 C14 N1 116.9(7) . . ?
C15 C14 N1 123.2(7) . . ?
C14 C15 C12 119.8(7) . 8_565 ?
C14 C15 H15 120.1 . . ?
C12 C15 H15 120.1 8_565 . ?
O5 C16 O6 124.7(7) 7_565 . ?
O5 C16 C12 118.5(7) 7_565 . ?
O6 C16 C12 116.8(6) . . ?
N3 C17 N2 114.8(12) . . ?
N3 C17 C19 74.5(8) . . ?
N2 C17 C19 41.9(7) . . ?
N3 C17 H17 122.6 . . ?
N2 C17 H17 122.6 . . ?
C19 C17 H17 160.0 . . ?
N3 C18 C19 103.8(12) . . ?
N3 C18 H18 128.1 . . ?
C19 C18 H18 128.1 . . ?
N2 C19 C18 117.1(12) . . ?
N2 C19 C20 110.3(11) . . ?
C18 C19 C20 131.9(13) . . ?
N2 C19 C17 43.8(6) . . ?
C18 C19 C17 74.7(9) . . ?
C20 C19 C17 153.3(11) . . ?
O7 C20 C19 125.5(13) . . ?
O7 C20 Eu1 43.5(6) . . ?
C19 C20 Eu1 82.4(8) . . ?
O7 C20 H20A 106.0 . . ?
C19 C20 H20A 106.0 . . ?
Eu1 C20 H20A 117.9 . . ?
O7 C20 H20B 106.0 . . ?
C19 C20 H20B 106.0 . . ?
Eu1 C20 H20B 130.9 . . ?
H20A C20 H20B 106.3 . . ?
O4 Eu1 O6 76.94(17) . . ?
O4 Eu1 O5 74.92(17) . . ?
O6 Eu1 O5 136.17(18) . . ?
O4 Eu1 O3 123.81(17) . . ?
O6 Eu1 O3 96.24(19) . . ?
O5 Eu1 O3 73.20(17) . . ?
O4 Eu1 O2 131.16(17) . . ?
O6 Eu1 O2 147.2(2) . . ?
O5 Eu1 O2 74.80(18) . . ?
O3 Eu1 O2 81.62(18) . . ?
O4 Eu1 O7 93.9(3) . . ?
O6 Eu1 O7 74.5(2) . . ?
O5 Eu1 O7 140.0(2) . . ?
O3 Eu1 O7 138.5(3) . . ?
O2 Eu1 O7 85.5(3) . . ?
O4 Eu1 O1 81.08(18) . . ?
O6 Eu1 O1 135.1(2) . . ?
O5 Eu1 O1 71.7(2) . . ?
O3 Eu1 O1 128.33(17) . . ?
O2 Eu1 O1 53.34(19) . . ?
O7 Eu1 O1 68.6(2) . . ?
O4 Eu1 N2 146.6(2) . . ?
O6 Eu1 N2 71.6(2) . . ?
O5 Eu1 N2 137.2(2) . . ?
O3 Eu1 N2 71.6(2) . . ?
O2 Eu1 N2 76.7(2) . . ?
O7 Eu1 N2 67.1(3) . . ?
O1 Eu1 N2 113.9(3) . . ?
O4 Eu1 O4 74.94(18) . 7_565 ?
O6 Eu1 O4 69.55(18) . 7_565 ?
O5 Eu1 O4 71.10(16) . 7_565 ?
O3 Eu1 O4 51.42(15) . 7_565 ?
O2 Eu1 O4 127.80(18) . 7_565 ?
O7 Eu1 O4 143.8(2) . 7_565 ?
O1 Eu1 O4 139.7(2) . 7_565 ?
N2 Eu1 O4 103.7(2) . 7_565 ?
O4 Eu1 C1 106.2(2) . . ?
O6 Eu1 C1 150.6(2) . . ?
O5 Eu1 C1 70.7(2) . . ?
O3 Eu1 C1 105.2(2) . . ?
O2 Eu1 C1 26.7(2) . . ?
O7 Eu1 C1 76.2(3) . . ?
O1 Eu1 C1 26.6(2) . . ?
N2 Eu1 C1 96.0(3) . . ?
O4 Eu1 C1 139.8(2) 7_565 . ?
O4 Eu1 C9 99.53(19) . . ?
O6 Eu1 C9 83.5(2) . . ?
O5 Eu1 C9 68.96(18) . . ?
O3 Eu1 C9 25.31(19) . . ?
O2 Eu1 C9 104.1(2) . . ?
O7 Eu1 C9 150.8(2) . . ?
O1 Eu1 C9 138.90(19) . . ?
N2 Eu1 C9 88.1(2) . . ?
O4 Eu1 C9 26.16(18) 7_565 . ?
C1 Eu1 C9 123.6(2) . . ?
O4 Eu1 C20 112.5(3) . . ?
O6 Eu1 C20 69.3(3) . . ?
O5 Eu1 C20 153.7(3) . . ?
O3 Eu1 C20 116.6(3) . . ?
O2 Eu1 C20 82.4(3) . . ?
O7 Eu1 C20 22.1(3) . . ?
O1 Eu1 C20 84.3(3) . . ?
N2 Eu1 C20 45.1(3) . . ?
O4 Eu1 C20 134.8(3) 7_565 . ?
C1 Eu1 C20 83.0(4) . . ?
C9 Eu1 C20 130.6(3) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.717
_refine_diff_density_min         -2.869
_refine_diff_density_rms         0.185

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.160 0.332 0.129 2008 339 ' '
_database_code_depnum_ccdc_archive 'CCDC 941905'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-Im-atzH

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H11 Eu N3 O7, C2 H N4, O'
_chemical_formula_sum            'C21 H12 Eu N7 O8'
_chemical_formula_weight         642.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.7931(10)
_cell_length_b                   12.7929(10)
_cell_length_c                   13.7893(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.185(4)
_cell_angle_gamma                90.00
_cell_volume                     5234.2(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3430
_cell_measurement_theta_min      3.2154
_cell_measurement_theta_max      67.1884

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512
_exptl_absorpt_coefficient_mu    17.659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.48779
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9312
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.76
_diffrn_reflns_theta_max         66.98
_reflns_number_total             4673
_reflns_number_gt                3940
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1803P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4673
_refine_ls_number_parameters     337
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0813
_refine_ls_wR_factor_ref         0.2420
_refine_ls_wR_factor_gt          0.2331
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1032(3) 0.7382(9) 0.0371(7) 0.038(2) Uani 1 1 d . . .
C2 C 0.0568(3) 0.7582(10) 0.0683(7) 0.044(2) Uani 1 1 d . . .
C3 C 0.0267(4) 0.6748(11) 0.0755(10) 0.057(3) Uani 1 1 d . . .
H3 H 0.0354 0.6067 0.0631 0.068 Uiso 1 1 calc R . .
C4 C -0.0165(4) 0.6957(10) 0.1016(10) 0.057(3) Uani 1 1 d . . .
H4 H -0.0363 0.6407 0.1086 0.069 Uiso 1 1 calc R . .
C5 C -0.0301(4) 0.7962(9) 0.1170(9) 0.050(3) Uani 1 1 d . . .
C6 C -0.0005(3) 0.8773(10) 0.1123(9) 0.058(3) Uani 1 1 d . . .
H6 H -0.0094 0.9449 0.1262 0.069 Uiso 1 1 calc R . .
C7 C 0.0433(4) 0.8586(11) 0.0864(9) 0.055(3) Uani 1 1 d . . .
H7 H 0.0632 0.9140 0.0815 0.066 Uiso 1 1 calc R . .
C8 C 0.4221(3) 0.3113(9) 0.1373(9) 0.048(3) Uani 1 1 d D . .
H16 H 0.405(4) 0.247(6) 0.154(9) 0.057 Uiso 1 1 d D . .
C9 C 0.2556(3) 0.5573(7) 0.0522(6) 0.0323(17) Uani 1 1 d . . .
C10 C 0.2853(3) 0.4864(7) 0.1120(6) 0.0317(17) Uani 1 1 d . . .
C11 C 0.3317(3) 0.4810(8) 0.1028(7) 0.038(2) Uani 1 1 d . . .
H11 H 0.3446 0.5251 0.0597 0.046 Uiso 1 1 calc R . .
C12 C 0.3584(3) 0.4097(8) 0.1581(7) 0.040(2) Uani 1 1 d . . .
C13 C 0.3398(3) 0.3481(8) 0.2264(7) 0.0349(19) Uani 1 1 d . . .
H13 H 0.3580 0.3018 0.2642 0.042 Uiso 1 1 calc R . .
C14 C 0.2937(3) 0.3546(7) 0.2392(6) 0.0329(18) Uani 1 1 d . . .
C15 C 0.2663(3) 0.4215(8) 0.1789(7) 0.0361(19) Uani 1 1 d . . .
H15 H 0.2354 0.4227 0.1834 0.043 Uiso 1 1 calc R . .
C16 C 0.2737(3) 0.7082(7) -0.1836(7) 0.0331(19) Uani 1 1 d . . .
C17 C 0.1124(4) 0.5299(10) -0.1807(9) 0.056(3) Uani 1 1 d . . .
H17 H 0.0869 0.5634 -0.1622 0.067 Uiso 1 1 calc R . .
C18 C 0.1128(4) 0.4550(11) -0.2526(10) 0.066(3) Uani 1 1 d . . .
H18 H 0.0881 0.4320 -0.2930 0.079 Uiso 1 1 calc R . .
C19 C 0.1801(3) 0.4764(8) -0.1862(8) 0.046(2) Uani 1 1 d . . .
H19 H 0.2110 0.4676 -0.1717 0.056 Uiso 1 1 calc R . .
C20 C 0.6879(8) 0.642(2) 0.1302(17) 0.116(4) Uani 1 1 d U . .
H20 H 0.6898 0.5779 0.1622 0.140 Uiso 1 1 calc R . .
C21 C 0.6642(10) 0.7938(17) 0.0662(19) 0.111(4) Uani 1 1 d U . .
N1 N 0.4048(2) 0.4032(7) 0.1430(6) 0.0421(19) Uani 1 1 d . . .
N2 N 0.1547(3) 0.5469(7) -0.1415(6) 0.0388(17) Uani 1 1 d . . .
N3 N 0.1552(3) 0.4218(8) -0.2532(7) 0.051(2) Uani 1 1 d . . .
N4 N 0.6516(8) 0.7149(14) 0.1266(15) 0.114(4) Uani 1 1 d U . .
N5 N 0.7216(8) 0.6893(14) 0.0727(16) 0.116(4) Uani 1 1 d U . .
N6 N 0.7043(7) 0.7671(17) 0.0340(14) 0.114(4) Uani 1 1 d U . .
N7 N 0.6351(7) 0.8759(16) 0.0440(13) 0.118(4) Uani 1 1 d U . .
O1 O 0.11637(19) 0.6465(6) 0.0298(5) 0.0396(14) Uani 1 1 d . . .
O2 O 0.1271(2) 0.8154(6) 0.0173(5) 0.0411(15) Uani 1 1 d . . .
O3 O 0.2149(2) 0.5360(5) 0.0348(4) 0.0359(13) Uani 1 1 d . . .
O4 O 0.27173(19) 0.6426(5) 0.0223(4) 0.0315(12) Uani 1 1 d . . .
O5 O 0.20194(19) 0.7265(5) 0.1361(4) 0.0316(12) Uani 1 1 d . . .
O6 O 0.2329(2) 0.6880(5) -0.1707(4) 0.0357(14) Uani 1 1 d . . .
O7 O 0.1414(2) 0.7755(6) -0.1744(5) 0.0464(16) Uani 1 1 d . . .
O8 O 0.0638(3) 0.8902(9) -0.1693(11) 0.098(4) Uani 1 1 d . . .
Eu1 Eu 0.186581(13) 0.69945(4) -0.03791(3) 0.0264(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.244(13) . ?
C1 O2 1.261(13) . ?
C1 C2 1.505(11) . ?
C1 Eu1 2.820(8) . ?
C2 C7 1.376(18) . ?
C2 C3 1.404(17) . ?
C3 C4 1.392(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.367(17) . ?
C5 C8 1.486(14) 3_455 ?
C6 C7 1.405(13) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.289(14) . ?
C8 C5 1.486(14) 3_545 ?
C8 H16 1.00(2) . ?
C9 O3 1.242(10) . ?
C9 O4 1.277(11) . ?
C9 C10 1.469(12) . ?
C9 Eu1 2.935(9) . ?
C10 C15 1.397(12) . ?
C10 C11 1.399(11) . ?
C11 C12 1.391(14) . ?
C11 H11 0.9300 . ?
C12 C13 1.383(13) . ?
C12 N1 1.419(10) . ?
C13 C14 1.402(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.402(13) . ?
C14 C16 1.502(12) 6_566 ?
C15 H15 0.9300 . ?
C16 O5 1.252(11) 7_565 ?
C16 O6 1.269(11) . ?
C16 C14 1.501(12) 6_565 ?
C17 N2 1.342(13) . ?
C17 C18 1.379(17) . ?
C17 H17 0.9300 . ?
C18 N3 1.335(16) . ?
C18 H18 0.9300 . ?
C19 N3 1.330(14) . ?
C19 N2 1.361(13) . ?
C19 H19 0.9300 . ?
C20 N4 1.43(3) . ?
C20 N5 1.47(3) . ?
C20 H20 0.9300 . ?
C21 N6 1.36(3) . ?
C21 N7 1.38(3) . ?
C21 N4 1.38(3) . ?
N2 Eu1 2.551(9) . ?
N5 N6 1.22(2) . ?
O1 Eu1 2.462(6) . ?
O2 Eu1 2.483(6) . ?
O3 Eu1 2.437(7) . ?
O4 Eu1 2.371(6) 7_565 ?
O4 Eu1 2.697(6) . ?
O5 C16 1.252(11) 7_565 ?
O5 Eu1 2.427(5) . ?
O6 Eu1 2.395(6) . ?
O7 Eu1 2.418(7) . ?
Eu1 O4 2.371(6) 7_565 ?


loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 O2 122.2(8) . . ?
O1 C1 C2 119.2(10) . . ?
O2 C1 C2 118.6(10) . . ?
O1 C1 Eu1 60.6(4) . . ?
O2 C1 Eu1 61.7(4) . . ?
C2 C1 Eu1 175.1(7) . . ?
C7 C2 C3 119.8(9) . . ?
C7 C2 C1 120.1(11) . . ?
C3 C2 C1 120.1(11) . . ?
C4 C3 C2 119.0(12) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C5 C4 C3 120.9(12) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C6 C5 C4 120.1(10) . . ?
C6 C5 C8 122.9(10) . 3_455 ?
C4 C5 C8 117.0(10) . 3_455 ?
C5 C6 C7 120.1(11) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C2 C7 C6 119.9(12) . . ?
C2 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
N1 C8 C5 121.7(10) . 3_545 ?
N1 C8 H16 122(8) . . ?
C5 C8 H16 116(8) 3_545 . ?
O3 C9 O4 120.9(8) . . ?
O3 C9 C10 120.1(8) . . ?
O4 C9 C10 118.9(7) . . ?
O3 C9 Eu1 54.6(5) . . ?
O4 C9 Eu1 66.6(4) . . ?
C10 C9 Eu1 169.9(5) . . ?
C15 C10 C11 119.5(8) . . ?
C15 C10 C9 118.5(7) . . ?
C11 C10 C9 122.0(8) . . ?
C12 C11 C10 120.3(8) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 120.1(8) . . ?
C13 C12 N1 121.5(9) . . ?
C11 C12 N1 118.4(8) . . ?
C12 C13 C14 120.6(8) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C13 C14 C15 119.1(8) . . ?
C13 C14 C16 120.9(8) . 6_566 ?
C15 C14 C16 120.0(7) . 6_566 ?
C10 C15 C14 120.3(7) . . ?
C10 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
O5 C16 O6 125.5(8) 7_565 . ?
O5 C16 C14 118.6(8) 7_565 6_565 ?
O6 C16 C14 115.9(8) . 6_565 ?
N2 C17 C18 109.6(10) . . ?
N2 C17 H17 125.2 . . ?
C18 C17 H17 125.2 . . ?
N3 C18 C17 107.1(10) . . ?
N3 C18 H18 126.5 . . ?
C17 C18 H18 126.5 . . ?
N3 C19 N2 111.3(9) . . ?
N3 C19 H19 124.3 . . ?
N2 C19 H19 124.3 . . ?
N4 C20 N5 105(2) . . ?
N4 C20 H20 127.3 . . ?
N5 C20 H20 127.3 . . ?
N6 C21 N7 132(2) . . ?
N6 C21 N4 108(2) . . ?
N7 C21 N4 119(3) . . ?
C8 N1 C12 117.6(9) . . ?
C17 N2 C19 104.5(9) . . ?
C17 N2 Eu1 129.7(7) . . ?
C19 N2 Eu1 124.4(6) . . ?
C19 N3 C18 107.3(9) . . ?
C21 N4 C20 105(2) . . ?
N6 N5 C20 107(2) . . ?
N5 N6 C21 114(2) . . ?
C1 O1 Eu1 93.2(5) . . ?
C1 O2 Eu1 91.8(6) . . ?
C9 O3 Eu1 100.8(6) . . ?
C9 O4 Eu1 155.3(6) . 7_565 ?
C9 O4 Eu1 87.6(5) . . ?
Eu1 O4 Eu1 105.6(2) 7_565 . ?
C16 O5 Eu1 131.3(6) 7_565 . ?
C16 O6 Eu1 135.9(6) . . ?
O4 Eu1 O6 77.8(2) 7_565 . ?
O4 Eu1 O7 88.7(2) 7_565 . ?
O6 Eu1 O7 75.4(2) . . ?
O4 Eu1 O5 74.8(2) 7_565 . ?
O6 Eu1 O5 134.0(2) . . ?
O7 Eu1 O5 139.0(2) . . ?
O4 Eu1 O3 122.3(2) 7_565 . ?
O6 Eu1 O3 93.4(2) . . ?
O7 Eu1 O3 144.5(2) . . ?
O5 Eu1 O3 71.8(2) . . ?
O4 Eu1 O1 131.0(2) 7_565 . ?
O6 Eu1 O1 147.3(2) . . ?
O7 Eu1 O1 88.5(2) . . ?
O5 Eu1 O1 75.8(2) . . ?
O3 Eu1 O1 83.3(2) . . ?
O4 Eu1 O2 81.1(2) 7_565 . ?
O6 Eu1 O2 138.4(2) . . ?
O7 Eu1 O2 68.6(2) . . ?
O5 Eu1 O2 71.8(2) . . ?
O3 Eu1 O2 128.1(2) . . ?
O1 Eu1 O2 52.6(2) . . ?
O4 Eu1 N2 150.3(2) 7_565 . ?
O6 Eu1 N2 74.7(2) . . ?
O7 Eu1 N2 73.7(3) . . ?
O5 Eu1 N2 133.7(2) . . ?
O3 Eu1 N2 70.9(2) . . ?
O1 Eu1 N2 73.5(2) . . ?
O2 Eu1 N2 112.8(2) . . ?
O4 Eu1 O4 74.4(2) 7_565 . ?
O6 Eu1 O4 68.2(2) . . ?
O7 Eu1 O4 142.2(2) . . ?
O5 Eu1 O4 69.28(18) . . ?
O3 Eu1 O4 50.23(19) . . ?
O1 Eu1 O4 128.1(2) . . ?
O2 Eu1 O4 138.1(2) . . ?
N2 Eu1 O4 105.0(2) . . ?
O4 Eu1 C1 106.8(3) 7_565 . ?
O6 Eu1 C1 151.5(2) . . ?
O7 Eu1 C1 76.6(3) . . ?
O5 Eu1 C1 72.9(2) . . ?
O3 Eu1 C1 106.5(3) . . ?
O1 Eu1 C1 26.1(3) . . ?
O2 Eu1 C1 26.5(3) . . ?
N2 Eu1 C1 92.5(3) . . ?
O4 Eu1 C1 140.4(2) . . ?
O4 Eu1 C9 98.5(2) 7_565 . ?
O6 Eu1 C9 81.7(2) . . ?
O7 Eu1 C9 153.9(2) . . ?
O5 Eu1 C9 66.9(2) . . ?
O3 Eu1 C9 24.6(2) . . ?
O1 Eu1 C9 104.8(2) . . ?
O2 Eu1 C9 137.1(2) . . ?
N2 Eu1 C9 88.5(3) . . ?
O4 Eu1 C9 25.8(2) . . ?
C1 Eu1 C9 124.1(3) . . ?
O4 Eu1 Eu1 40.00(14) 7_565 7_565 ?
O6 Eu1 Eu1 68.13(15) . 7_565 ?
O7 Eu1 Eu1 120.95(19) . 7_565 ?
O5 Eu1 Eu1 67.06(13) . 7_565 ?
O3 Eu1 Eu1 83.49(14) . 7_565 ?
O1 Eu1 Eu1 142.81(16) . 7_565 ?
O2 Eu1 Eu1 113.99(17) . 7_565 ?
N2 Eu1 Eu1 133.00(17) . 7_565 ?
O4 Eu1 Eu1 34.42(13) . 7_565 ?
C1 Eu1 Eu1 133.1(2) . 7_565 ?
C9 Eu1 Eu1 59.08(17) . 7_565 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        66.98
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         4.361
_refine_diff_density_min         -2.972
_refine_diff_density_rms         0.221

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 -0.206 0.250 157 46 ' '
2 0.500 0.206 0.750 157 46 ' '
3 0.000 0.294 0.250 157 46 ' '
4 0.000 0.706 0.750 157 46 ' '

_database_code_depnum_ccdc_archive 'CCDC 941906'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-merpdH2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H19 Eu N2 O9 S'
_chemical_formula_sum            'C22 H19 Eu N2 O9 S'
_chemical_formula_weight         639.43

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.0553(12)
_cell_length_b                   14.1152(7)
_cell_length_c                   13.4991(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.912(5)
_cell_angle_gamma                90.00
_cell_volume                     5483.6(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4202
_cell_measurement_theta_min      3.0188
_cell_measurement_theta_max      28.6443

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2528
_exptl_absorpt_coefficient_mu    2.411
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77064
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11221
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4823
_reflns_number_gt                3813
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1480P)²+22.5312P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4823
_refine_ls_number_parameters     316
_refine_ls_number_restraints     88
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0687
_refine_ls_wR_factor_ref         0.2263
_refine_ls_wR_factor_gt          0.2150
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.184341(14) 0.70591(3) 0.46130(3) 0.0349(2) Uani 1 1 d . . .
C1 C 0.0984(4) 0.7522(9) 0.5260(8) 0.054(3) Uani 1 1 d . . .
C2 C 0.0540(4) 0.7768(9) 0.5652(9) 0.055(3) Uani 1 1 d . . .
C3 C 0.0382(5) 0.8704(10) 0.5643(12) 0.086(4) Uani 1 1 d . . .
H3 H 0.0569 0.9183 0.5446 0.104 Uiso 1 1 calc R . .
C4 C -0.0029(5) 0.8931(10) 0.5908(11) 0.076(4) Uani 1 1 d . . .
H4 H -0.0132 0.9555 0.5866 0.091 Uiso 1 1 calc R . .
C5 C -0.0305(5) 0.8220(10) 0.6251(10) 0.067(3) Uani 1 1 d . . .
C6 C -0.0154(6) 0.7325(12) 0.6289(15) 0.100(6) Uani 1 1 d . . .
H6 H -0.0335 0.6856 0.6526 0.120 Uiso 1 1 calc R . .
C7 C 0.0275(5) 0.7072(10) 0.5978(14) 0.088(5) Uani 1 1 d . . .
H7 H 0.0374 0.6444 0.5996 0.106 Uiso 1 1 calc R . .
C8 C -0.0782(5) 0.8392(13) 0.6508(12) 0.086(4) Uani 1 1 d . . .
C9 C 0.2537(3) 0.5796(7) 0.5748(7) 0.044(2) Uani 1 1 d . . .
C10 C 0.2838(3) 0.5082(7) 0.6284(7) 0.041(2) Uani 1 1 d . . .
C11 C 0.3304(3) 0.5002(7) 0.6185(7) 0.045(2) Uani 1 1 d . . .
H11 H 0.3433 0.5425 0.5773 0.054 Uiso 1 1 calc R . .
C12 C 0.3578(3) 0.4323(7) 0.6672(8) 0.047(2) Uani 1 1 d . . .
C13 C 0.3397(4) 0.3744(7) 0.7394(7) 0.046(2) Uani 1 1 d . . .
H13 H 0.3587 0.3314 0.7780 0.055 Uiso 1 1 calc R . .
C14 C 0.2938(3) 0.3835(7) 0.7506(6) 0.039(2) Uani 1 1 d . . .
C15 C 0.2655(3) 0.4497(7) 0.6966(7) 0.042(2) Uani 1 1 d . . .
H15 H 0.2345 0.4552 0.7057 0.050 Uiso 1 1 calc R . .
C16 C 0.2738(3) 0.3234(8) 0.8272(7) 0.044(2) Uani 1 1 d . . .
C17 C 0.1192(15) 0.486(2) 0.380(3) 0.278(8) Uani 1 1 d DU . .
H17A H 0.0869 0.5017 0.3827 0.333 Uiso 1 1 calc R . .
H17B H 0.1315 0.4583 0.4438 0.333 Uiso 1 1 calc R . .
C18 C 0.1207(13) 0.412(3) 0.300(2) 0.290(7) Uani 1 1 d DU . .
H18 H 0.1029 0.3554 0.3136 0.348 Uiso 1 1 calc R . .
C19 C 0.1719(13) 0.392(3) 0.311(3) 0.295(8) Uani 1 1 d DU . .
H19A H 0.1860 0.4525 0.2993 0.354 Uiso 1 1 calc R . .
H19B H 0.1759 0.3527 0.2541 0.354 Uiso 1 1 calc R . .
C20 C 0.1587(8) 0.803(2) 0.2277(18) 0.194(6) Uani 1 1 d DU . .
C21 C 0.0698(9) 0.860(2) 0.178(2) 0.213(7) Uani 1 1 d DU . .
H21A H 0.0603 0.8093 0.2186 0.319 Uiso 1 1 calc R . .
H21B H 0.0523 0.8567 0.1126 0.319 Uiso 1 1 calc R . .
H21C H 0.0644 0.9195 0.2084 0.319 Uiso 1 1 calc R . .
C22 C 0.1298(9) 0.9295(19) 0.110(2) 0.202(7) Uani 1 1 d DU . .
H22A H 0.1016 0.9545 0.0744 0.303 Uiso 1 1 calc R . .
H22B H 0.1498 0.9089 0.0636 0.303 Uiso 1 1 calc R . .
H22C H 0.1451 0.9779 0.1527 0.303 Uiso 1 1 calc R . .
N1 N -0.0953(3) 0.9220(7) 0.6471(7) 0.056(2) Uani 1 1 d . . .
N2 N 0.1190(9) 0.8500(17) 0.1709(19) 0.201(6) Uani 1 1 d DU . .
O1 O 0.1136(3) 0.6689(6) 0.5411(6) 0.062(2) Uani 1 1 d . . .
O2 O 0.1202(3) 0.8137(6) 0.4860(7) 0.066(2) Uani 1 1 d . . .
O3 O 0.2107(2) 0.5648(5) 0.5536(5) 0.0497(17) Uani 1 1 d . . .
O4 O 0.2288(2) 0.8444(4) 0.4545(5) 0.0437(15) Uani 1 1 d . . .
O5 O 0.2327(2) 0.6591(5) 0.3428(5) 0.0505(18) Uani 1 1 d . . .
O6 O 0.1997(2) 0.7616(5) 0.6271(5) 0.0457(16) Uani 1 1 d . . .
O7 O 0.1441(4) 0.5738(17) 0.3685(7) 0.171(5) Uani 1 1 d DU . .
O8 O 0.1098(12) 0.443(2) 0.194(2) 0.295(8) Uani 1 1 d DU . .
H8 H 0.1335 0.4412 0.1668 0.442 Uiso 1 1 calc R . .
O9 O 0.1464(5) 0.7637(11) 0.3026(11) 0.125(4) Uani 1 1 d DU . .
S1 S 0.2096(7) 0.3408(14) 0.4142(13) 0.315(6) Uani 1 1 d DU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O4 2.353(6) . ?
Eu1 O6 2.356(7) . ?
Eu1 O5 2.364(6) . ?
Eu1 O9 2.412(16) . ?
Eu1 O3 2.417(7) . ?
Eu1 O7 2.451(17) . ?
Eu1 O2 2.464(7) . ?
Eu1 O1 2.503(7) . ?
Eu1 O4 2.716(7) 7_566 ?
Eu1 C1 2.832(10) . ?
Eu1 C9 2.956(10) . ?
Eu1 Eu1 4.0127(9) 7_566 ?
C1 O2 1.240(14) . ?
C1 O1 1.262(15) . ?
C1 C2 1.501(14) . ?
C2 C7 1.358(18) . ?
C2 C3 1.399(17) . ?
C3 C4 1.332(18) . ?
C3 H3 0.9300 . ?
C4 C5 1.402(19) . ?
C4 H4 0.9300 . ?
C5 C6 1.34(2) . ?
C5 C8 1.493(18) . ?
C6 C7 1.41(2) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.268(19) . ?
C9 O3 1.258(12) . ?
C9 O4 1.273(12) 7_566 ?
C9 C10 1.459(14) . ?
C10 C11 1.384(13) . ?
C10 C15 1.394(13) . ?
C11 C12 1.356(14) . ?
C11 H11 0.9300 . ?
C12 C13 1.425(13) . ?
C12 N1 1.433(12) 3_545 ?
C13 C14 1.368(13) . ?
C13 H13 0.9300 . ?
C14 C15 1.385(13) . ?
C14 C16 1.515(13) . ?
C15 H15 0.9300 . ?
C16 O5 1.263(12) 6_566 ?
C16 O6 1.268(13) 4_546 ?
C17 O7 1.454(5) . ?
C17 C18 1.505(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.501(5) . ?
C18 O8 1.501(5) . ?
C18 H18 0.9800 . ?
C19 S1 1.800(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 O9 1.249(5) . ?
C20 N2 1.452(5) . ?
C21 N2 1.453(5) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 N2 1.449(5) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
N1 C12 1.433(12) 3_455 ?
O4 C9 1.273(12) 7_566 ?
O4 Eu1 2.716(7) 7_566 ?
O5 C16 1.263(12) 6_565 ?
O6 C16 1.268(13) 4_556 ?
O8 H8 0.8200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O6 74.1(2) . . ?
O4 Eu1 O5 79.9(2) . . ?
O6 Eu1 O5 133.1(2) . . ?
O4 Eu1 O9 82.6(4) . . ?
O6 Eu1 O9 137.2(4) . . ?
O5 Eu1 O9 74.6(4) . . ?
O4 Eu1 O3 124.6(2) . . ?
O6 Eu1 O3 77.3(3) . . ?
O5 Eu1 O3 86.7(2) . . ?
O9 Eu1 O3 144.1(4) . . ?
O4 Eu1 O7 146.9(3) . . ?
O6 Eu1 O7 138.9(4) . . ?
O5 Eu1 O7 74.2(3) . . ?
O9 Eu1 O7 71.1(6) . . ?
O3 Eu1 O7 74.5(5) . . ?
O4 Eu1 O2 85.5(2) . . ?
O6 Eu1 O2 73.3(3) . . ?
O5 Eu1 O2 142.7(3) . . ?
O9 Eu1 O2 69.5(4) . . ?
O3 Eu1 O2 129.1(2) . . ?
O7 Eu1 O2 102.9(4) . . ?
O4 Eu1 O1 132.7(2) . . ?
O6 Eu1 O1 73.7(2) . . ?
O5 Eu1 O1 146.4(3) . . ?
O9 Eu1 O1 98.7(4) . . ?
O3 Eu1 O1 80.1(3) . . ?
O7 Eu1 O1 72.5(3) . . ?
O2 Eu1 O1 52.4(3) . . ?
O4 Eu1 O4 75.5(2) . 7_566 ?
O6 Eu1 O4 69.3(2) . 7_566 ?
O5 Eu1 O4 66.8(2) . 7_566 ?
O9 Eu1 O4 138.1(4) . 7_566 ?
O3 Eu1 O4 50.1(2) . 7_566 ?
O7 Eu1 O4 111.4(4) . 7_566 ?
O2 Eu1 O4 141.4(3) . 7_566 ?
O1 Eu1 O4 122.4(3) . 7_566 ?
O4 Eu1 C1 109.4(3) . . ?
O6 Eu1 C1 71.9(3) . . ?
O5 Eu1 C1 154.8(3) . . ?
O9 Eu1 C1 83.2(4) . . ?
O3 Eu1 C1 105.2(3) . . ?
O7 Eu1 C1 87.4(4) . . ?
O2 Eu1 C1 25.9(3) . . ?
O1 Eu1 C1 26.5(3) . . ?
O4 Eu1 C1 137.6(3) 7_566 . ?
O4 Eu1 C9 100.5(3) . . ?
O6 Eu1 C9 71.5(3) . . ?
O5 Eu1 C9 75.9(2) . . ?
O9 Eu1 C9 149.3(4) . . ?
O3 Eu1 C9 24.6(2) . . ?
O7 Eu1 C9 92.8(5) . . ?
O2 Eu1 C9 141.0(3) . . ?
O1 Eu1 C9 101.1(3) . . ?
O4 Eu1 C9 25.5(2) 7_566 . ?
C1 Eu1 C9 123.1(3) . . ?
O4 Eu1 Eu1 40.94(16) . 7_566 ?
O6 Eu1 Eu1 66.46(16) . 7_566 ?
O5 Eu1 Eu1 68.30(17) . 7_566 ?
O9 Eu1 Eu1 115.3(4) . 7_566 ?
O3 Eu1 Eu1 84.16(16) . 7_566 ?
O7 Eu1 Eu1 137.6(3) . 7_566 ?
O2 Eu1 Eu1 118.9(2) . 7_566 ?
O1 Eu1 Eu1 139.5(2) . 7_566 ?
O4 Eu1 Eu1 34.59(13) 7_566 7_566 ?
C1 Eu1 Eu1 134.0(2) . 7_566 ?
C9 Eu1 Eu1 59.76(19) . 7_566 ?
O2 C1 O1 122.3(9) . . ?
O2 C1 C2 120.4(11) . . ?
O1 C1 C2 117.1(10) . . ?
O2 C1 Eu1 60.3(5) . . ?
O1 C1 Eu1 62.1(5) . . ?
C2 C1 Eu1 177.3(9) . . ?
C7 C2 C3 119.0(11) . . ?
C7 C2 C1 120.0(11) . . ?
C3 C2 C1 120.9(11) . . ?
C4 C3 C2 122.1(13) . . ?
C4 C3 H3 118.9 . . ?
C2 C3 H3 118.9 . . ?
C3 C4 C5 119.4(13) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C6 C5 C4 119.2(13) . . ?
C6 C5 C8 117.2(14) . . ?
C4 C5 C8 123.4(13) . . ?
C5 C6 C7 121.8(14) . . ?
C5 C6 H6 119.1 . . ?
C7 C6 H6 119.1 . . ?
C2 C7 C6 118.4(13) . . ?
C2 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
N1 C8 C5 120.8(14) . . ?
O3 C9 O4 119.7(9) . 7_566 ?
O3 C9 C10 120.5(9) . . ?
O4 C9 C10 119.8(9) 7_566 . ?
O3 C9 Eu1 53.0(5) . . ?
O4 C9 Eu1 66.6(5) 7_566 . ?
C10 C9 Eu1 173.2(7) . . ?
C11 C10 C15 118.8(9) . . ?
C11 C10 C9 122.5(8) . . ?
C15 C10 C9 118.7(8) . . ?
C12 C11 C10 121.8(9) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C11 C12 C13 119.4(8) . . ?
C11 C12 N1 119.3(9) . 3_545 ?
C13 C12 N1 121.3(9) . 3_545 ?
C14 C13 C12 118.5(9) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C13 C14 C15 121.5(8) . . ?
C13 C14 C16 119.7(9) . . ?
C15 C14 C16 118.7(8) . . ?
C14 C15 C10 119.7(8) . . ?
C14 C15 H15 120.2 . . ?
C10 C15 H15 120.2 . . ?
O5 C16 O6 125.4(9) 6_566 4_546 ?
O5 C16 C14 117.8(9) 6_566 . ?
O6 C16 C14 116.8(8) 4_546 . ?
O7 C17 C18 117(3) . . ?
O7 C17 H17A 108.1 . . ?
C18 C17 H17A 108.1 . . ?
O7 C17 H17B 108.1 . . ?
C18 C17 H17B 108.1 . . ?
H17A C17 H17B 107.3 . . ?
C19 C18 O8 103(2) . . ?
C19 C18 C17 101(4) . . ?
O8 C18 C17 117(4) . . ?
C19 C18 H18 111.7 . . ?
O8 C18 H18 111.7 . . ?
C17 C18 H18 111.7 . . ?
C18 C19 S1 130(3) . . ?
C18 C19 H19A 104.8 . . ?
S1 C19 H19A 104.8 . . ?
C18 C19 H19B 104.8 . . ?
S1 C19 H19B 104.8 . . ?
H19A C19 H19B 105.8 . . ?
O9 C20 N2 109.7(19) . . ?
N2 C21 H21A 109.5 . . ?
N2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C8 N1 C12 117.7(11) . 3_455 ?
C22 N2 C20 116(2) . . ?
C22 N2 C21 104.9(5) . . ?
C20 N2 C21 136(2) . . ?
C1 O1 Eu1 91.5(6) . . ?
C1 O2 Eu1 93.8(7) . . ?
C9 O3 Eu1 102.4(6) . . ?
C9 O4 Eu1 163.2(7) 7_566 . ?
C9 O4 Eu1 87.9(6) 7_566 7_566 ?
Eu1 O4 Eu1 104.5(2) . 7_566 ?
C16 O5 Eu1 136.2(7) 6_565 . ?
C16 O6 Eu1 135.6(6) 4_556 . ?
C17 O7 Eu1 143.4(18) . . ?
C18 O8 H8 109.4 . . ?
C20 O9 Eu1 136.4(15) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.802
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.211

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 -0.017 477 72 ' '
2 0.500 1.000 -0.054 477 72 ' '
_database_code_depnum_ccdc_archive 'CCDC 941907'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-mIma

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H12 Eu N3 O7'
_chemical_formula_sum            'C21 H12 Eu N3 O7'
_chemical_formula_weight         570.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   28.6032(8)
_cell_length_b                   14.3668(7)
_cell_length_c                   12.8150(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.057(3)
_cell_angle_gamma                90.00
_cell_volume                     5130.0(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4352
_cell_measurement_theta_min      3.1695
_cell_measurement_theta_max      72.1546

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2224
_exptl_absorpt_coefficient_mu    17.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.33875
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9363
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.17
_diffrn_reflns_theta_max         66.99
_reflns_number_total             4562
_reflns_number_gt                4011
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1058P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4562
_refine_ls_number_parameters     292
_refine_ls_number_restraints     81
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0474
_refine_ls_wR_factor_ref         0.1482
_refine_ls_wR_factor_gt          0.1445
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_restrained_S_all      1.168
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.39032(14) 0.1692(3) 0.4905(4) 0.0549(12) Uani 1 1 d . . .
O2 O 0.38291(15) 0.3164(4) 0.5300(4) 0.0550(11) Uani 1 1 d . . .
O3 O 0.29328(12) 0.0652(3) 0.4654(3) 0.0429(9) Uani 1 1 d . . .
O4 O 0.27073(12) 0.3464(3) 0.5396(3) 0.0383(8) Uani 1 1 d . . .
O5 O 0.30085(13) 0.2522(3) 0.3712(3) 0.0445(9) Uani 1 1 d . . .
O6 O 0.22879(14) 0.3205(3) 0.3186(3) 0.0470(10) Uani 1 1 d . . .
O7 O 0.3635(3) 0.2775(5) 0.7282(6) 0.0890(19) Uani 1 1 d DU . .
N1 N 0.40545(18) 0.4142(4) 0.1502(5) 0.0572(15) Uani 1 1 d . . .
N2 N 0.3590(2) 0.0858(6) 0.6809(6) 0.0862(18) Uani 1 1 d DU . .
N3 N 0.3683(5) -0.0281(9) 0.8239(9) 0.138(3) Uani 1 1 d DU . .
C1 C 0.4041(2) 0.2528(5) 0.4941(5) 0.0472(14) Uani 1 1 d . . .
C2 C 0.4479(2) 0.2756(5) 0.4512(6) 0.0469(15) Uani 1 1 d . . .
C3 C 0.4745(3) 0.2058(5) 0.4203(9) 0.071(3) Uani 1 1 d . . .
H3 H 0.4638 0.1446 0.4200 0.086 Uiso 1 1 calc R . .
C4 C 0.4836(3) 0.2243(5) 0.1100(9) 0.076(3) Uani 1 1 d . . .
H4 H 0.4654 0.1759 0.1283 0.091 Uiso 1 1 calc R . .
C5 C 0.4683(2) 0.3162(6) 0.1133(6) 0.0573(17) Uani 1 1 d . . .
C6 C 0.4968(3) 0.3885(6) 0.0879(6) 0.065(2) Uani 1 1 d . . .
H6 H 0.4873 0.4501 0.0916 0.078 Uiso 1 1 calc R . .
C7 C 0.4617(2) 0.3684(6) 0.4422(7) 0.0636(19) Uani 1 1 d . . .
H7 H 0.4424 0.4164 0.4568 0.076 Uiso 1 1 calc R . .
C8 C 0.4217(2) 0.3338(5) 0.1420(6) 0.0568(17) Uani 1 1 d D . .
C9 C 0.24850(18) 0.0788(4) 0.4368(4) 0.0365(11) Uani 1 1 d . . .
C10 C 0.28256(18) 0.5045(4) 0.1233(4) 0.0362(11) Uani 1 1 d . . .
C11 C 0.32996(19) 0.4954(5) 0.1146(5) 0.0486(15) Uani 1 1 d . . .
H11 H 0.3429 0.5376 0.0740 0.058 Uiso 1 1 calc R . .
C12 C 0.35786(19) 0.4227(4) 0.1672(6) 0.0488(15) Uani 1 1 d . . .
C13 C 0.33942(19) 0.3645(4) 0.2338(5) 0.0456(14) Uani 1 1 d . . .
H13 H 0.3588 0.3186 0.2726 0.055 Uiso 1 1 calc R . .
C14 C 0.29245(18) 0.3736(4) 0.2436(4) 0.0367(11) Uani 1 1 d . . .
C15 C 0.26347(17) 0.4429(4) 0.1869(4) 0.0375(11) Uani 1 1 d . . .
H15 H 0.2316 0.4481 0.1913 0.045 Uiso 1 1 calc R . .
C16 C 0.27274(19) 0.3110(4) 0.3178(5) 0.0391(12) Uani 1 1 d . . .
C17 C 0.3739(6) 0.1154(7) 0.7845(7) 0.132(3) Uani 1 1 d DU . .
C18 C 0.3827(6) 0.0552(9) 0.8691(9) 0.142(3) Uani 1 1 d DU . .
C19 C 0.3539(5) -0.0006(8) 0.7202(9) 0.134(3) Uani 1 1 d DU . .
H19 H 0.3392 -0.0453 0.6712 0.160 Uiso 1 1 calc R . .
C20 C 0.3997(7) 0.0546(14) 0.9890(9) 0.170(4) Uani 1 1 d DU . .
H20A H 0.3991 -0.0079 1.0150 0.255 Uiso 1 1 calc R . .
H20B H 0.3790 0.0930 1.0200 0.255 Uiso 1 1 calc R . .
H20C H 0.4319 0.0784 1.0084 0.255 Uiso 1 1 calc R . .
C21 C 0.3758(7) 0.2198(7) 0.7981(10) 0.132(3) Uani 1 1 d DU . .
Eu1 Eu 0.318254(9) 0.21129(2) 0.55582(2) 0.03027(16) Uani 1 1 d . . .
H16 H 0.403(2) 0.280(3) 0.152(5) 0.036 Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C1 1.261(9) . ?
O1 Eu1 2.469(4) . ?
O2 C1 1.240(8) . ?
O2 Eu1 2.467(4) . ?
O3 C9 1.265(6) . ?
O3 Eu1 2.426(4) . ?
O4 C9 1.274(7) 7_556 ?
O4 Eu1 2.352(4) . ?
O4 Eu1 2.693(4) 7_556 ?
O5 C16 1.257(7) . ?
O5 Eu1 2.379(4) . ?
O6 C16 1.267(7) . ?
O6 Eu1 2.364(4) 7_556 ?
O7 C21 1.213(5) . ?
O7 Eu1 2.483(7) . ?
N1 C8 1.259(9) . ?
N1 C12 1.432(7) . ?
N2 C19 1.359(5) . ?
N2 C17 1.367(5) . ?
N2 Eu1 2.517(7) . ?
N3 C18 1.353(5) . ?
N3 C19 1.358(5) . ?
C1 C2 1.516(8) . ?
C1 Eu1 2.807(6) . ?
C2 C3 1.369(10) . ?
C2 C7 1.402(10) . ?
C3 C4 1.368(11) 2_655 ?
C3 H3 0.9300 . ?
C4 C3 1.368(11) 2_655 ?
C4 C5 1.395(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.404(10) . ?
C5 C8 1.480(8) . ?
C6 C7 1.359(9) 2_655 ?
C6 H6 0.9300 . ?
C7 C6 1.359(9) 2_655 ?
C7 H7 0.9300 . ?
C8 H16 0.96(2) . ?
C9 O4 1.274(7) 7_556 ?
C9 C10 1.488(8) 4_545 ?
C9 Eu1 2.925(5) . ?
C10 C11 1.391(7) . ?
C10 C15 1.395(8) . ?
C10 C9 1.488(8) 4 ?
C11 C12 1.392(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.382(8) . ?
C13 C14 1.383(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.391(7) . ?
C14 C16 1.508(8) . ?
C15 H15 0.9300 . ?
C17 C18 1.365(5) . ?
C17 C21 1.511(5) . ?
C17 C19 1.889(16) . ?
C18 C20 1.503(5) . ?
C19 H19 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 Eu1 3.171(12) . ?
Eu1 O6 2.364(4) 7_556 ?
Eu1 O4 2.693(4) 7_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 O1 Eu1 91.8(4) . . ?
C1 O2 Eu1 92.4(4) . . ?
C9 O3 Eu1 100.0(3) . . ?
C9 O4 Eu1 161.3(4) 7_556 . ?
C9 O4 Eu1 87.3(3) 7_556 7_556 ?
Eu1 O4 Eu1 104.72(13) . 7_556 ?
C16 O5 Eu1 132.2(4) . . ?
C16 O6 Eu1 134.7(4) . 7_556 ?
C21 O7 Eu1 113.7(8) . . ?
C8 N1 C12 118.3(6) . . ?
C19 N2 C17 87.7(9) . . ?
C19 N2 Eu1 144.7(8) . . ?
C17 N2 Eu1 113.1(7) . . ?
C18 N3 C19 99.0(11) . . ?
O2 C1 O1 122.8(6) . . ?
O2 C1 C2 119.2(6) . . ?
O1 C1 C2 118.0(6) . . ?
O2 C1 Eu1 61.4(3) . . ?
O1 C1 Eu1 61.5(3) . . ?
C2 C1 Eu1 175.2(5) . . ?
C3 C2 C7 119.3(6) . . ?
C3 C2 C1 120.3(6) . . ?
C7 C2 C1 120.4(6) . . ?
C4 C3 C2 121.2(7) 2_655 . ?
C4 C3 H3 119.4 2_655 . ?
C2 C3 H3 119.4 . . ?
C3 C4 C5 119.7(7) 2_655 . ?
C3 C4 H4 120.2 2_655 . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 119.3(6) . . ?
C4 C5 C8 118.4(7) . . ?
C6 C5 C8 122.3(7) . . ?
C7 C6 C5 120.0(7) 2_655 . ?
C7 C6 H6 120.0 2_655 . ?
C5 C6 H6 120.0 . . ?
C6 C7 C2 120.3(7) 2_655 . ?
C6 C7 H7 119.8 2_655 . ?
C2 C7 H7 119.8 . . ?
N1 C8 C5 123.2(7) . . ?
N1 C8 H16 120(4) . . ?
C5 C8 H16 117(4) . . ?
O3 C9 O4 121.7(5) . 7_556 ?
O3 C9 C10 119.1(5) . 4_545 ?
O4 C9 C10 119.3(4) 7_556 4_545 ?
O3 C9 Eu1 54.8(3) . . ?
O4 C9 Eu1 66.9(3) 7_556 . ?
C10 C9 Eu1 173.8(4) 4_545 . ?
C11 C10 C15 120.3(5) . . ?
C11 C10 C9 120.3(5) . 4 ?
C15 C10 C9 119.4(4) . 4 ?
C10 C11 C12 119.6(5) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C13 C12 C11 119.7(5) . . ?
C13 C12 N1 123.5(5) . . ?
C11 C12 N1 116.8(5) . . ?
C14 C13 C12 120.8(5) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C14 C15 119.8(5) . . ?
C13 C14 C16 120.6(5) . . ?
C15 C14 C16 119.5(5) . . ?
C10 C15 C14 119.6(5) . . ?
C10 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
O5 C16 O6 125.6(5) . . ?
O5 C16 C14 117.4(5) . . ?
O6 C16 C14 117.0(5) . . ?
N2 C17 C18 122.4(10) . . ?
N2 C17 C21 114.6(10) . . ?
C18 C17 C21 122.8(9) . . ?
N2 C17 C19 46.0(5) . . ?
C18 C17 C19 76.8(7) . . ?
C21 C17 C19 157.9(10) . . ?
N3 C18 C17 103.7(10) . . ?
N3 C18 C20 115.4(12) . . ?
C17 C18 C20 140.7(13) . . ?
N2 C19 N3 126.4(11) . . ?
N2 C19 C17 46.3(5) . . ?
N3 C19 C17 80.5(8) . . ?
N2 C19 H19 116.8 . . ?
N3 C19 H19 116.8 . . ?
C17 C19 H19 161.8 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O7 C21 C17 126.6(12) . . ?
O7 C21 Eu1 45.8(6) . . ?
C17 C21 Eu1 81.4(7) . . ?
O4 Eu1 O6 79.23(15) . 7_556 ?
O4 Eu1 O5 73.83(14) . . ?
O6 Eu1 O5 134.54(13) 7_556 . ?
O4 Eu1 O3 124.75(13) . . ?
O6 Eu1 O3 90.37(16) 7_556 . ?
O5 Eu1 O3 76.44(16) . . ?
O4 Eu1 O2 85.34(14) . . ?
O6 Eu1 O2 140.27(16) 7_556 . ?
O5 Eu1 O2 73.14(16) . . ?
O3 Eu1 O2 127.88(14) . . ?
O4 Eu1 O1 133.04(14) . . ?
O6 Eu1 O1 146.17(16) 7_556 . ?
O5 Eu1 O1 74.13(15) . . ?
O3 Eu1 O1 78.72(14) . . ?
O2 Eu1 O1 52.83(15) . . ?
O4 Eu1 O7 86.4(2) . . ?
O6 Eu1 O7 74.4(2) 7_556 . ?
O5 Eu1 O7 137.7(2) . . ?
O3 Eu1 O7 142.61(19) . . ?
O2 Eu1 O7 68.2(2) . . ?
O1 Eu1 O7 95.0(2) . . ?
O4 Eu1 N2 145.4(2) . . ?
O6 Eu1 N2 71.4(2) 7_556 . ?
O5 Eu1 N2 140.6(2) . . ?
O3 Eu1 N2 74.3(2) . . ?
O2 Eu1 N2 105.7(2) . . ?
O1 Eu1 N2 74.8(2) . . ?
O7 Eu1 N2 68.6(2) . . ?
O4 Eu1 O4 75.28(13) . 7_556 ?
O6 Eu1 O4 67.96(14) 7_556 7_556 ?
O5 Eu1 O4 70.14(13) . 7_556 ?
O3 Eu1 O4 51.00(11) . 7_556 ?
O2 Eu1 O4 141.94(16) . 7_556 ?
O1 Eu1 O4 123.12(15) . 7_556 ?
O7 Eu1 O4 140.5(2) . 7_556 ?
N2 Eu1 O4 108.9(2) . 7_556 ?
O4 Eu1 C1 108.94(17) . . ?
O6 Eu1 C1 154.31(17) 7_556 . ?
O5 Eu1 C1 70.57(16) . . ?
O3 Eu1 C1 103.36(17) . . ?
O2 Eu1 C1 26.18(19) . . ?
O1 Eu1 C1 26.69(19) . . ?
O7 Eu1 C1 81.7(2) . . ?
N2 Eu1 C1 91.3(2) . . ?
O4 Eu1 C1 137.23(16) 7_556 . ?
O4 Eu1 C9 100.28(14) . . ?
O6 Eu1 C9 78.62(15) 7_556 . ?
O5 Eu1 C9 71.18(15) . . ?
O3 Eu1 C9 25.22(14) . . ?
O2 Eu1 C9 140.54(15) . . ?
O1 Eu1 C9 100.80(15) . . ?
O7 Eu1 C9 150.5(2) . . ?
N2 Eu1 C9 91.7(2) . . ?
O4 Eu1 C9 25.79(13) 7_556 . ?
C1 Eu1 C9 121.89(17) . . ?
O4 Eu1 C21 102.5(3) . . ?
O6 Eu1 C21 65.8(4) 7_556 . ?
O5 Eu1 C21 155.5(3) . . ?
O3 Eu1 C21 122.2(2) . . ?
O2 Eu1 C21 82.5(3) . . ?
O1 Eu1 C21 93.0(4) . . ?
O7 Eu1 C21 20.5(2) . . ?
N2 Eu1 C21 48.8(2) . . ?
O4 Eu1 C21 133.2(4) 7_556 . ?
C1 Eu1 C21 88.5(4) . . ?
C9 Eu1 C21 132.7(3) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        66.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.221
_refine_diff_density_min         -1.343
_refine_diff_density_rms         0.131

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.195 0.250 0.054 840 316 ' '
2 0.695 0.750 0.055 832 315 ' '
_database_code_depnum_ccdc_archive 'CCDC 941908'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_UCY-8-py

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H26 Eu2 N4 O14, 3(C5 H5 N)'
_chemical_formula_sum            'C57 H41 Eu2 N7 O14'
_chemical_formula_weight         1351.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.6903(4)
_cell_length_b                   14.7432(5)
_cell_length_c                   15.6518(7)
_cell_angle_alpha                95.222(3)
_cell_angle_beta                 112.945(4)
_cell_angle_gamma                90.244(3)
_cell_volume                     2894.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7240
_cell_measurement_theta_min      2.9738
_cell_measurement_theta_max      29.0167

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1340
_exptl_absorpt_coefficient_mu    2.216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.92707
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20194
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         25.00
_reflns_number_total             10176
_reflns_number_gt                7966
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD'
_computing_cell_refinement       'CrysAlis RED'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;

_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0765P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10176
_refine_ls_number_parameters     727
_refine_ls_number_restraints     242
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1404
_refine_ls_wR_factor_gt          0.1315
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6536(5) 0.9578(5) 0.3018(5) 0.0438(15) Uani 1 1 d . . .
C2 C 0.7266(5) 0.9169(5) 0.3847(5) 0.0478(16) Uani 1 1 d . . .
C3 C 0.8370(5) 0.9277(5) 0.4137(5) 0.0513(17) Uani 1 1 d . . .
H3 H 0.8654 0.9584 0.3787 0.062 Uiso 1 1 calc R . .
C4 C 0.9040(6) 0.8925(5) 0.4946(5) 0.0537(18) Uani 1 1 d . . .
H4 H 0.9771 0.9004 0.5139 0.064 Uiso 1 1 calc R . .
C5 C 0.8630(5) 0.8458(5) 0.5469(5) 0.0524(18) Uani 1 1 d . . .
C6 C 0.7545(5) 0.8348(6) 0.5173(6) 0.065(2) Uani 1 1 d . . .
H6 H 0.7256 0.8045 0.5521 0.078 Uiso 1 1 calc R . .
C7 C 0.6892(6) 0.8682(6) 0.4367(6) 0.063(2) Uani 1 1 d . . .
H7 H 0.6163 0.8574 0.4165 0.075 Uiso 1 1 calc R . .
C8 C 0.9309(6) 0.8140(5) 0.6376(6) 0.0529(18) Uani 1 1 d D . .
C9 C 0.3373(5) 0.8933(4) -0.0255(5) 0.0425(15) Uani 1 1 d . . .
C10 C 0.2374(5) 0.8376(4) -0.0858(5) 0.0406(14) Uani 1 1 d . . .
C11 C 1.1972(5) 0.7751(4) -0.0449(5) 0.0405(14) Uani 1 1 d . . .
H11 H 1.2333 0.7669 0.0178 0.049 Uiso 1 1 calc R . .
C12 C 1.1039(5) 0.7253(4) -0.0970(4) 0.0361(13) Uani 1 1 d . . .
C13 C 1.0474(5) 0.7415(4) -0.1894(5) 0.0399(14) Uani 1 1 d . . .
H13 H 0.9829 0.7100 -0.2235 0.048 Uiso 1 1 calc R . .
C14 C 0.0857(5) 0.8041(4) -0.2314(5) 0.0434(15) Uani 1 1 d . . .
C15 C 0.1835(5) 0.8497(4) -0.1788(5) 0.0427(15) Uani 1 1 d . . .
H15 H 0.2127 0.8887 -0.2069 0.051 Uiso 1 1 calc R . .
C16 C 1.0622(5) 0.6550(5) -0.0564(5) 0.0423(15) Uani 1 1 d . . .
C17 C 0.2975(7) 1.1153(8) 0.1896(7) 0.0795(17) Uani 1 1 d U . .
H17 H 0.3189 1.1658 0.1688 0.095 Uiso 1 1 calc R . .
C18 C 0.2035(7) 1.1194(8) 0.2098(7) 0.0893(19) Uani 1 1 d U . .
H18 H 0.1638 1.1713 0.2018 0.107 Uiso 1 1 calc R . .
C19 C 0.1750(8) 1.0451(9) 0.2405(8) 0.0930(19) Uani 1 1 d U . .
H19 H 0.1139 1.0454 0.2530 0.112 Uiso 1 1 calc R . .
C20 C 0.2336(7) 0.9704(8) 0.2535(7) 0.0870(18) Uani 1 1 d U . .
H20 H 0.2156 0.9199 0.2767 0.104 Uiso 1 1 calc R . .
C21 C 0.3219(7) 0.9720(7) 0.2307(7) 0.0771(16) Uani 1 1 d U . .
H21 H 0.3614 0.9200 0.2375 0.093 Uiso 1 1 calc R . .
C22 C 0.8885(5) 0.5207(4) -0.3003(5) 0.0422(15) Uani 1 1 d . . .
C23 C 0.8866(5) 0.5599(5) -0.3852(5) 0.0457(16) Uani 1 1 d . . .
C24 C 0.7917(6) 0.5812(6) -0.4544(6) 0.059(2) Uani 1 1 d . . .
H24 H 0.7289 0.5755 -0.4452 0.071 Uiso 1 1 calc R . .
C25 C 0.7890(5) 0.6105(6) -0.5364(6) 0.059(2) Uani 1 1 d . . .
H25 H 0.7243 0.6221 -0.5829 0.071 Uiso 1 1 calc R . .
C26 C 0.8822(5) 0.6230(5) 0.4504(5) 0.0493(17) Uani 1 1 d . . .
C27 C 0.9784(6) 0.6067(5) -0.4779(5) 0.0552(18) Uani 1 1 d . . .
H27 H 1.0419 0.6176 -0.4846 0.066 Uiso 1 1 calc R . .
C28 C 0.9802(6) 0.5749(5) -0.3981(5) 0.0515(17) Uani 1 1 d . . .
H28 H 1.0449 0.5631 -0.3517 0.062 Uiso 1 1 calc R . .
C29 C 0.8784(6) 0.6517(5) 0.3610(5) 0.0517(17) Uani 1 1 d D . .
C30 C 0.8446(5) 0.5958(4) 0.0058(5) 0.0402(15) Uani 1 1 d . . .
C31 C 0.8065(4) 0.6584(4) 0.0672(5) 0.0378(14) Uani 1 1 d . . .
C32 C 0.8335(5) 0.6438(4) 0.1602(5) 0.0398(14) Uani 1 1 d . . .
H32 H 0.8841 0.6019 0.1877 0.048 Uiso 1 1 calc R . .
C33 C 0.7844(5) 0.6924(5) 0.2116(5) 0.0435(15) Uani 1 1 d . . .
C34 C 0.7148(5) 0.7587(4) 0.1714(5) 0.0420(15) Uani 1 1 d . . .
H34 H 0.6814 0.7907 0.2056 0.050 Uiso 1 1 calc R . .
C35 C 0.6938(5) 0.7784(4) 0.0805(5) 0.0388(14) Uani 1 1 d . . .
C36 C 0.7388(5) 0.7261(4) 0.0285(5) 0.0402(14) Uani 1 1 d . . .
H36 H 0.7233 0.7367 -0.0330 0.048 Uiso 1 1 calc R . .
C37 C 0.6217(5) 0.8548(5) 0.0424(5) 0.0449(16) Uani 1 1 d . . .
C38 C 0.6587(5) 0.3290(5) -0.1839(5) 0.0500(13) Uani 1 1 d U . .
H38 H 0.7118 0.2872 -0.1654 0.060 Uiso 1 1 calc R . .
C39 C 0.5552(5) 0.2998(6) -0.2050(5) 0.0572(14) Uani 1 1 d U . .
H39 H 0.5390 0.2399 -0.1994 0.069 Uiso 1 1 calc R . .
C40 C 0.4759(6) 0.3619(6) -0.2345(6) 0.0590(15) Uani 1 1 d U . .
H40 H 0.4052 0.3443 -0.2502 0.071 Uiso 1 1 calc R . .
C41 C 0.5045(6) 0.4500(6) -0.2399(6) 0.0591(15) Uani 1 1 d U . .
H41 H 0.4536 0.4937 -0.2585 0.071 Uiso 1 1 calc R . .
C42 C 0.6104(5) 0.4722(5) -0.2171(5) 0.0544(14) Uani 1 1 d U . .
H42 H 0.6291 0.5316 -0.2219 0.065 Uiso 1 1 calc R . .
C43 C 0.9823(6) 0.1566(6) 0.9153(7) 0.0661(15) Uani 1 1 d U . .
H43 H 0.9337 0.1864 0.9346 0.079 Uiso 1 1 calc R . .
C44 C 1.0477(7) 0.0961(6) 0.9713(7) 0.0733(16) Uani 1 1 d U . .
H44 H 1.0451 0.0872 1.0285 0.088 Uiso 1 1 calc R . .
C45 C 1.1157(7) 0.0498(6) 0.9414(7) 0.0735(16) Uani 1 1 d U . .
H45 H 1.1600 0.0078 0.9772 0.088 Uiso 1 1 calc R . .
C46 C 1.1178(6) 0.0662(5) 0.8570(7) 0.0694(15) Uani 1 1 d U . .
H46 H 1.1631 0.0349 0.8344 0.083 Uiso 1 1 calc R . .
C47 C 1.0529(6) 0.1286(5) 0.8074(7) 0.0639(15) Uani 1 1 d U . .
H47 H 1.0554 0.1403 0.7508 0.077 Uiso 1 1 calc R . .
C48 C 0.8447(8) 0.2035(9) 0.5708(9) 0.098(2) Uani 1 1 d U . .
H48 H 0.8815 0.1667 0.6172 0.118 Uiso 1 1 calc R . .
C49 C 0.8150(8) 0.1713(9) 0.4732(9) 0.106(2) Uani 1 1 d U . .
H49 H 0.8294 0.1123 0.4565 0.127 Uiso 1 1 calc R . .
C50 C 0.7676(8) 0.2256(10) 0.4080(9) 0.107(2) Uani 1 1 d U . .
H50 H 0.7550 0.2068 0.3461 0.129 Uiso 1 1 calc R . .
C51 C 0.7371(8) 0.3084(9) 0.4304(8) 0.103(2) Uani 1 1 d U . .
H51 H 0.6989 0.3449 0.3843 0.123 Uiso 1 1 calc R . .
C52 C 0.7638(8) 0.3373(9) 0.5230(8) 0.093(2) Uani 1 1 d U . .
H52 H 0.7431 0.3945 0.5379 0.112 Uiso 1 1 calc R . .
C53 C 0.7146(6) 0.3655(5) 0.1998(6) 0.0615(15) Uani 1 1 d U . .
H53 H 0.7697 0.3582 0.2565 0.074 Uiso 1 1 calc R . .
C54 C 0.7327(7) 0.4210(5) 0.1411(7) 0.0662(16) Uani 1 1 d U . .
H54 H 0.7986 0.4508 0.1586 0.079 Uiso 1 1 calc R . .
C55 C 0.6537(7) 0.4321(6) 0.0571(7) 0.0719(17) Uani 1 1 d U . .
H55 H 0.6644 0.4684 0.0157 0.086 Uiso 1 1 calc R . .
C56 C 0.5583(7) 0.3877(6) 0.0363(7) 0.0755(17) Uani 1 1 d U . .
H56 H 0.5023 0.3941 -0.0202 0.091 Uiso 1 1 calc R . .
C57 C 0.5439(7) 0.3331(6) 0.0986(6) 0.0666(16) Uani 1 1 d U . .
H57 H 0.4780 0.3040 0.0834 0.080 Uiso 1 1 calc R . .
N1 N 1.0295(4) 0.8316(4) 0.6770(4) 0.0487(14) Uani 1 1 d . . .
N2 N 0.3540(5) 1.0424(5) 0.1998(5) 0.0671(14) Uani 1 1 d U . .
N3 N 0.7931(4) 0.6720(4) 0.3006(4) 0.0502(14) Uani 1 1 d . . .
N4 N 0.6856(4) 0.4143(4) -0.1892(4) 0.0463(11) Uani 1 1 d U . .
N5 N 0.9861(5) 0.1736(4) 0.8363(5) 0.0631(13) Uani 1 1 d U . .
N6 N 0.8180(6) 0.2878(6) 0.5933(6) 0.0864(18) Uani 1 1 d U . .
N7 N 0.6219(5) 0.3215(4) 0.1793(5) 0.0589(13) Uani 1 1 d U . .
O1 O 0.5547(4) 0.9414(3) 0.2752(3) 0.0499(12) Uani 1 1 d . . .
O2 O 0.6899(3) 1.0069(3) 0.2588(3) 0.0499(12) Uani 1 1 d . . .
O3 O 0.3585(3) 0.9081(3) 0.0595(3) 0.0476(11) Uani 1 1 d . . .
O4 O 0.3907(3) 0.9271(3) -0.0651(4) 0.0535(13) Uani 1 1 d . . .
O5 O 0.9752(3) 0.6155(3) -0.1059(3) 0.0444(11) Uani 1 1 d . . .
O6 O 0.8808(3) 0.3605(3) -0.0273(3) 0.0401(10) Uani 1 1 d . . .
O7 O 0.5441(4) 1.1648(3) 0.2278(4) 0.0602(13) Uani 1 1 d . . .
O8 O 0.9709(3) 0.4884(3) -0.2473(3) 0.0464(11) Uani 1 1 d . . .
O9 O 0.8033(3) 0.5213(3) -0.2841(3) 0.0481(11) Uani 1 1 d . . .
O10 O 0.9292(3) 0.5540(3) 0.0434(3) 0.0403(10) Uani 1 1 d . . .
O11 O 0.7888(3) 0.5840(3) -0.0783(3) 0.0441(11) Uani 1 1 d . . .
O12 O 0.5763(3) 0.8880(3) 0.0936(3) 0.0466(11) Uani 1 1 d . . .
O13 O 0.6133(3) 0.8798(3) -0.0345(3) 0.0472(11) Uani 1 1 d . . .
O14 O 0.8721(4) 0.3247(3) -0.2187(3) 0.0512(12) Uani 1 1 d . . .
H16 H 0.894(5) 0.772(4) 0.664(5) 0.061 Uiso 1 1 d D . .
H37 H 0.952(3) 0.661(5) 0.362(5) 0.061 Uiso 1 1 d D . .
Eu1 Eu 0.50368(2) 1.01880(2) 0.13457(2) 0.03709(12) Uani 1 1 d . . .
Eu2 Eu 0.89000(2) 0.47009(2) -0.12900(2) 0.03631(12) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O2 1.254(8) . ?
C1 O1 1.265(7) . ?
C1 C2 1.477(9) . ?
C1 Eu1 2.851(7) . ?
C2 C7 1.366(10) . ?
C2 C3 1.402(9) . ?
C3 C4 1.391(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.376(10) . ?
C5 C8 1.482(10) . ?
C6 C7 1.368(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.261(9) . ?
C8 H16 1.01(2) . ?
C9 O3 1.244(8) . ?
C9 O4 1.255(8) . ?
C9 C10 1.510(9) . ?
C9 Eu1 3.092(7) . ?
C10 C15 1.381(9) . ?
C10 C11 1.392(9) 1_455 ?
C11 C12 1.380(9) . ?
C11 C10 1.392(9) 1_655 ?
C11 H11 0.9300 . ?
C12 C13 1.392(9) . ?
C12 C16 1.484(9) . ?
C13 C14 1.391(9) 1_655 ?
C13 H13 0.9300 . ?
C14 C13 1.391(9) 1_455 ?
C14 C15 1.398(9) . ?
C14 N1 1.436(9) 1_454 ?
C15 H15 0.9300 . ?
C16 O5 1.246(8) . ?
C16 O6 1.279(8) 2_765 ?
C17 N2 1.312(11) . ?
C17 C18 1.440(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.350(15) . ?
C18 H18 0.9300 . ?
C19 C20 1.349(14) . ?
C19 H19 0.9300 . ?
C20 C21 1.389(12) . ?
C20 H20 0.9300 . ?
C21 N2 1.324(12) . ?
C21 H21 0.9300 . ?
C22 O8 1.239(8) . ?
C22 O9 1.286(8) . ?
C22 C23 1.489(10) . ?
C22 Eu2 2.840(7) . ?
C23 C24 1.388(10) . ?
C23 C28 1.392(9) . ?
C24 C25 1.378(11) . ?
C24 H24 0.9300 . ?
C25 C26 1.385(10) 1_554 ?
C25 H25 0.9300 . ?
C26 C25 1.385(10) 1_556 ?
C26 C27 1.397(10) 1_556 ?
C26 C29 1.480(10) . ?
C27 C28 1.365(10) . ?
C27 C26 1.397(10) 1_554 ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 N3 1.242(9) . ?
C29 H37 1.01(2) . ?
C30 O11 1.233(8) . ?
C30 O10 1.268(7) . ?
C30 C31 1.510(9) . ?
C30 Eu2 2.932(7) . ?
C31 C36 1.379(8) . ?
C31 C32 1.393(9) . ?
C32 C33 1.391(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.383(9) . ?
C33 N3 1.411(9) . ?
C34 C35 1.397(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.384(9) . ?
C35 C37 1.508(9) . ?
C36 H36 0.9300 . ?
C37 O13 1.254(8) . ?
C37 O12 1.259(8) . ?
C38 N4 1.328(9) . ?
C38 C39 1.381(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.387(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.374(11) . ?
C40 H40 0.9300 . ?
C41 C42 1.381(10) . ?
C41 H41 0.9300 . ?
C42 N4 1.305(9) . ?
C42 H42 0.9300 . ?
C43 N5 1.305(11) . ?
C43 C44 1.378(12) . ?
C43 H43 0.9300 . ?
C44 C45 1.357(12) . ?
C44 H44 0.9300 . ?
C45 C46 1.375(13) . ?
C45 H45 0.9300 . ?
C46 C47 1.357(11) . ?
C46 H46 0.9300 . ?
C47 N5 1.324(10) . ?
C47 H47 0.9300 . ?
C48 N6 1.350(14) . ?
C48 C49 1.452(16) . ?
C48 H48 0.9300 . ?
C49 C50 1.319(17) . ?
C49 H49 0.9300 . ?
C50 C51 1.352(16) . ?
C50 H50 0.9300 . ?
C51 C52 1.373(15) . ?
C51 H51 0.9300 . ?
C52 N6 1.345(13) . ?
C52 H52 0.9300 . ?
C53 N7 1.331(9) . ?
C53 C54 1.374(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.363(12) . ?
C54 H54 0.9300 . ?
C55 C56 1.365(12) . ?
C55 H55 0.9300 . ?
C56 C57 1.389(12) . ?
C56 H56 0.9300 . ?
C57 N7 1.323(11) . ?
C57 H57 0.9300 . ?
N1 C14 1.436(9) 1_656 ?
N2 Eu1 2.633(6) . ?
N4 Eu2 2.679(5) . ?
O1 Eu1 2.429(5) . ?
O2 Eu1 2.552(5) . ?
O3 Eu1 2.408(4) . ?
O4 Eu1 2.298(5) 2_675 ?
O4 Eu1 3.071(5) . ?
O5 Eu2 2.365(4) . ?
O6 C16 1.279(8) 2_765 ?
O6 Eu2 2.405(4) . ?
O7 Eu1 2.420(5) . ?
O8 Eu2 2.533(5) . ?
O9 Eu2 2.443(5) . ?
O10 Eu2 2.357(4) 2_765 ?
O10 Eu2 2.712(5) . ?
O11 Eu2 2.450(4) . ?
O12 Eu1 2.325(4) . ?
O13 Eu1 2.397(4) 2_675 ?
O14 Eu2 2.409(5) . ?
Eu1 O4 2.298(5) 2_675 ?
Eu1 O13 2.397(4) 2_675 ?
Eu2 O10 2.357(4) 2_765 ?


loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 C1 O1 121.3(6) . . ?
O2 C1 C2 120.0(6) . . ?
O1 C1 C2 118.7(6) . . ?
O2 C1 Eu1 63.5(3) . . ?
O1 C1 Eu1 57.9(3) . . ?
C2 C1 Eu1 174.3(5) . . ?
C7 C2 C3 117.6(7) . . ?
C7 C2 C1 121.3(6) . . ?
C3 C2 C1 121.1(6) . . ?
C4 C3 C2 120.0(7) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.7(7) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C6 C5 C4 118.8(7) . . ?
C6 C5 C8 118.5(7) . . ?
C4 C5 C8 122.5(6) . . ?
C7 C6 C5 120.2(7) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C2 C7 C6 122.7(7) . . ?
C2 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
N1 C8 C5 123.5(7) . . ?
N1 C8 H16 121(4) . . ?
C5 C8 H16 115(4) . . ?
O3 C9 O4 123.6(6) . . ?
O3 C9 C10 118.4(6) . . ?
O4 C9 C10 117.8(6) . . ?
O3 C9 Eu1 46.4(3) . . ?
O4 C9 Eu1 77.3(4) . . ?
C10 C9 Eu1 162.9(5) . . ?
C15 C10 C11 119.7(6) . 1_455 ?
C15 C10 C9 121.6(6) . . ?
C11 C10 C9 118.6(6) 1_455 . ?
C12 C11 C10 120.3(6) . 1_655 ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 1_655 . ?
C11 C12 C13 119.5(6) . . ?
C11 C12 C16 121.3(6) . . ?
C13 C12 C16 119.2(6) . . ?
C14 C13 C12 121.1(6) 1_655 . ?
C14 C13 H13 119.4 1_655 . ?
C12 C13 H13 119.4 . . ?
C13 C14 C15 118.2(6) 1_455 . ?
C13 C14 N1 125.4(6) 1_455 1_454 ?
C15 C14 N1 116.2(6) . 1_454 ?
C10 C15 C14 121.0(6) . . ?
C10 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
O5 C16 O6 125.0(6) . 2_765 ?
O5 C16 C12 118.0(6) . . ?
O6 C16 C12 117.0(6) 2_765 . ?
N2 C17 C18 122.0(10) . . ?
N2 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C19 C18 C17 117.6(10) . . ?
C19 C18 H18 121.2 . . ?
C17 C18 H18 121.2 . . ?
C20 C19 C18 121.1(10) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C20 C21 117.2(11) . . ?
C19 C20 H20 121.4 . . ?
C21 C20 H20 121.4 . . ?
N2 C21 C20 124.7(10) . . ?
N2 C21 H21 117.6 . . ?
C20 C21 H21 117.6 . . ?
O8 C22 O9 121.7(6) . . ?
O8 C22 C23 119.9(6) . . ?
O9 C22 C23 118.5(6) . . ?
O8 C22 Eu2 63.1(4) . . ?
O9 C22 Eu2 59.1(3) . . ?
C23 C22 Eu2 172.3(5) . . ?
C24 C23 C28 118.2(7) . . ?
C24 C23 C22 121.1(6) . . ?
C28 C23 C22 120.8(6) . . ?
C25 C24 C23 121.1(7) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 120.3(7) . 1_554 ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 1_554 . ?
C25 C26 C27 118.7(7) 1_556 1_556 ?
C25 C26 C29 119.9(6) 1_556 . ?
C27 C26 C29 121.4(6) 1_556 . ?
C28 C27 C26 120.7(7) . 1_554 ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 1_554 . ?
C27 C28 C23 120.9(7) . . ?
C27 C28 H28 119.5 . . ?
C23 C28 H28 119.5 . . ?
N3 C29 C26 120.4(7) . . ?
N3 C29 H37 127(4) . . ?
C26 C29 H37 112(4) . . ?
O11 C30 O10 122.8(6) . . ?
O11 C30 C31 118.2(6) . . ?
O10 C30 C31 118.9(6) . . ?
O11 C30 Eu2 55.3(3) . . ?
O10 C30 Eu2 67.5(3) . . ?
C31 C30 Eu2 172.7(4) . . ?
C36 C31 C32 120.4(6) . . ?
C36 C31 C30 119.2(6) . . ?
C32 C31 C30 120.2(5) . . ?
C33 C32 C31 119.5(6) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C32 119.4(6) . . ?
C34 C33 N3 116.8(6) . . ?
C32 C33 N3 123.5(6) . . ?
C33 C34 C35 121.2(6) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C36 C35 C34 118.7(6) . . ?
C36 C35 C37 122.7(6) . . ?
C34 C35 C37 118.6(6) . . ?
C31 C36 C35 120.6(6) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
O13 C37 O12 126.6(6) . . ?
O13 C37 C35 118.5(6) . . ?
O12 C37 C35 114.9(6) . . ?
N4 C38 C39 122.7(7) . . ?
N4 C38 H38 118.6 . . ?
C39 C38 H38 118.6 . . ?
C38 C39 C40 118.5(7) . . ?
C38 C39 H39 120.7 . . ?
C40 C39 H39 120.7 . . ?
C41 C40 C39 118.3(7) . . ?
C41 C40 H40 120.8 . . ?
C39 C40 H40 120.8 . . ?
C40 C41 C42 118.5(7) . . ?
C40 C41 H41 120.7 . . ?
C42 C41 H41 120.7 . . ?
N4 C42 C41 123.6(7) . . ?
N4 C42 H42 118.2 . . ?
C41 C42 H42 118.2 . . ?
N5 C43 C44 122.6(8) . . ?
N5 C43 H43 118.7 . . ?
C44 C43 H43 118.7 . . ?
C45 C44 C43 118.8(10) . . ?
C45 C44 H44 120.6 . . ?
C43 C44 H44 120.6 . . ?
C44 C45 C46 118.5(9) . . ?
C44 C45 H45 120.7 . . ?
C46 C45 H45 120.7 . . ?
C47 C46 C45 119.0(9) . . ?
C47 C46 H46 120.5 . . ?
C45 C46 H46 120.5 . . ?
N5 C47 C46 122.5(9) . . ?
N5 C47 H47 118.7 . . ?
C46 C47 H47 118.7 . . ?
N6 C48 C49 119.0(12) . . ?
N6 C48 H48 120.5 . . ?
C49 C48 H48 120.5 . . ?
C50 C49 C48 120.2(13) . . ?
C50 C49 H49 119.9 . . ?
C48 C49 H49 119.9 . . ?
C49 C50 C51 120.5(13) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C50 C51 C52 118.5(13) . . ?
C50 C51 H51 120.8 . . ?
C52 C51 H51 120.8 . . ?
N6 C52 C51 124.0(12) . . ?
N6 C52 H52 118.0 . . ?
C51 C52 H52 118.0 . . ?
N7 C53 C54 123.1(8) . . ?
N7 C53 H53 118.5 . . ?
C54 C53 H53 118.5 . . ?
C55 C54 C53 119.8(8) . . ?
C55 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C54 C55 C56 117.2(9) . . ?
C54 C55 H55 121.4 . . ?
C56 C55 H55 121.4 . . ?
C55 C56 C57 120.6(9) . . ?
C55 C56 H56 119.7 . . ?
C57 C56 H56 119.7 . . ?
N7 C57 C56 121.5(8) . . ?
N7 C57 H57 119.2 . . ?
C56 C57 H57 119.2 . . ?
C8 N1 C14 118.6(6) . 1_656 ?
C17 N2 C21 117.3(8) . . ?
C17 N2 Eu1 123.2(6) . . ?
C21 N2 Eu1 118.5(6) . . ?
C29 N3 C33 122.2(6) . . ?
C42 N4 C38 118.3(6) . . ?
C42 N4 Eu2 120.7(5) . . ?
C38 N4 Eu2 120.8(4) . . ?
C43 N5 C47 118.6(8) . . ?
C52 N6 C48 117.6(10) . . ?
C57 N7 C53 117.7(8) . . ?
C1 O1 Eu1 95.9(4) . . ?
C1 O2 Eu1 90.4(4) . . ?
C9 O3 Eu1 111.7(4) . . ?
C9 O4 Eu1 176.2(4) . 2_675 ?
C9 O4 Eu1 79.2(4) . . ?
Eu1 O4 Eu1 100.59(16) 2_675 . ?
C16 O5 Eu2 138.7(4) . . ?
C16 O6 Eu2 134.8(4) 2_765 . ?
C22 O8 Eu2 91.1(4) . . ?
C22 O9 Eu2 94.1(4) . . ?
C30 O10 Eu2 159.7(4) . 2_765 ?
C30 O10 Eu2 86.9(4) . . ?
Eu2 O10 Eu2 104.00(15) 2_765 . ?
C30 O11 Eu2 100.2(4) . . ?
C37 O12 Eu1 144.3(5) . . ?
C37 O13 Eu1 132.2(4) . 2_675 ?
O4 Eu1 O12 76.54(17) 2_675 . ?
O4 Eu1 O13 79.08(16) 2_675 2_675 ?
O12 Eu1 O13 128.52(16) . 2_675 ?
O4 Eu1 O3 124.54(17) 2_675 . ?
O12 Eu1 O3 73.70(16) . . ?
O13 Eu1 O3 84.37(16) 2_675 . ?
O4 Eu1 O7 85.50(19) 2_675 . ?
O12 Eu1 O7 144.56(17) . . ?
O13 Eu1 O7 75.90(17) 2_675 . ?
O3 Eu1 O7 140.17(17) . . ?
O4 Eu1 O1 128.89(15) 2_675 . ?
O12 Eu1 O1 78.38(17) . . ?
O13 Eu1 O1 148.20(16) 2_675 . ?
O3 Eu1 O1 88.90(16) . . ?
O7 Eu1 O1 90.14(17) . . ?
O4 Eu1 O2 77.70(15) 2_675 . ?
O12 Eu1 O2 71.70(16) . . ?
O13 Eu1 O2 143.67(15) 2_675 . ?
O3 Eu1 O2 131.93(15) . . ?
O7 Eu1 O2 74.77(17) . . ?
O1 Eu1 O2 52.25(15) . . ?
O4 Eu1 N2 150.6(2) 2_675 . ?
O12 Eu1 N2 131.9(2) . . ?
O13 Eu1 N2 76.1(2) 2_675 . ?
O3 Eu1 N2 68.4(2) . . ?
O7 Eu1 N2 73.4(2) . . ?
O1 Eu1 N2 72.5(2) . . ?
O2 Eu1 N2 114.71(19) . . ?
O4 Eu1 C1 103.09(17) 2_675 . ?
O12 Eu1 C1 72.23(18) . . ?
O13 Eu1 C1 158.29(18) 2_675 . ?
O3 Eu1 C1 110.63(18) . . ?
O7 Eu1 C1 82.70(18) . . ?
O1 Eu1 C1 26.20(16) . . ?
O2 Eu1 C1 26.09(16) . . ?
N2 Eu1 C1 94.4(2) . . ?
O4 Eu1 O4 79.41(16) 2_675 . ?
O12 Eu1 O4 62.82(14) . . ?
O13 Eu1 O4 68.56(14) 2_675 . ?
O3 Eu1 O4 45.41(14) . . ?
O7 Eu1 O4 143.35(15) . . ?
O1 Eu1 O4 125.16(14) . . ?
O2 Eu1 O4 132.58(14) . . ?
N2 Eu1 O4 105.50(17) . . ?
C1 Eu1 O4 133.15(16) . . ?
O4 Eu1 C9 102.85(18) 2_675 . ?
O12 Eu1 C9 67.51(16) . . ?
O13 Eu1 C9 74.88(16) 2_675 . ?
O3 Eu1 C9 21.95(16) . . ?
O7 Eu1 C9 147.35(17) . . ?
O1 Eu1 C9 107.47(17) . . ?
O2 Eu1 C9 137.68(16) . . ?
N2 Eu1 C9 85.7(2) . . ?
C1 Eu1 C9 124.54(18) . . ?
O4 Eu1 C9 23.49(14) . . ?
O4 Eu1 Eu1 46.53(13) 2_675 2_675 ?
O12 Eu1 Eu1 62.24(12) . 2_675 ?
O13 Eu1 Eu1 68.01(11) 2_675 2_675 ?
O3 Eu1 Eu1 78.16(12) . 2_675 ?
O7 Eu1 Eu1 123.30(13) . 2_675 ?
O1 Eu1 Eu1 140.53(12) . 2_675 ?
O2 Eu1 Eu1 112.44(12) . 2_675 ?
N2 Eu1 Eu1 132.73(15) . 2_675 ?
C1 Eu1 Eu1 129.05(14) . 2_675 ?
O4 Eu1 Eu1 32.88(8) . 2_675 ?
C9 Eu1 Eu1 56.34(12) . 2_675 ?
O10 Eu2 O5 75.65(14) 2_765 . ?
O10 Eu2 O6 77.86(14) 2_765 . ?
O5 Eu2 O6 134.53(15) . . ?
O10 Eu2 O14 90.08(16) 2_765 . ?
O5 Eu2 O14 139.91(16) . . ?
O6 Eu2 O14 75.54(16) . . ?
O10 Eu2 O9 129.68(15) 2_765 . ?
O5 Eu2 O9 79.18(15) . . ?
O6 Eu2 O9 144.67(14) . . ?
O14 Eu2 O9 82.08(16) . . ?
O10 Eu2 O11 123.68(15) 2_765 . ?
O5 Eu2 O11 70.87(15) . . ?
O6 Eu2 O11 95.00(15) . . ?
O14 Eu2 O11 142.70(15) . . ?
O9 Eu2 O11 86.44(16) . . ?
O10 Eu2 O8 77.62(15) 2_765 . ?
O5 Eu2 O8 68.19(16) . . ?
O6 Eu2 O8 139.08(15) . . ?
O14 Eu2 O8 72.24(16) . . ?
O9 Eu2 O8 52.58(15) . . ?
O11 Eu2 O8 125.89(15) . . ?
O10 Eu2 N4 149.69(15) 2_765 . ?
O5 Eu2 N4 132.76(16) . . ?
O6 Eu2 N4 73.49(15) . . ?
O14 Eu2 N4 73.48(17) . . ?
O9 Eu2 N4 74.13(16) . . ?
O11 Eu2 N4 69.25(16) . . ?
O8 Eu2 N4 119.09(16) . . ?
O10 Eu2 O10 76.00(15) 2_765 . ?
O5 Eu2 O10 68.29(14) . . ?
O6 Eu2 O10 69.83(14) . . ?
O14 Eu2 O10 144.62(15) . . ?
O9 Eu2 O10 131.67(14) . . ?
O11 Eu2 O10 50.05(13) . . ?
O8 Eu2 O10 133.28(14) . . ?
N4 Eu2 O10 102.69(15) . . ?
O10 Eu2 C22 102.92(17) 2_765 . ?
O5 Eu2 C22 69.79(17) . . ?
O6 Eu2 C22 153.09(17) . . ?
O14 Eu2 C22 77.55(17) . . ?
O9 Eu2 C22 26.85(16) . . ?
O11 Eu2 C22 106.09(17) . . ?
O8 Eu2 C22 25.87(16) . . ?
N4 Eu2 C22 98.23(18) . . ?
O10 Eu2 C22 136.89(15) . . ?
O10 Eu2 C30 100.48(17) 2_765 . ?
O5 Eu2 C30 67.40(16) . . ?
O6 Eu2 C30 82.11(16) . . ?
O14 Eu2 C30 152.68(16) . . ?
O9 Eu2 C30 108.91(17) . . ?
O11 Eu2 C30 24.46(16) . . ?
O8 Eu2 C30 134.48(16) . . ?
N4 Eu2 C30 85.34(17) . . ?
O10 Eu2 C30 25.60(15) . . ?
C22 Eu2 C30 123.41(18) . . ?
O10 Eu2 Eu2 41.12(11) 2_765 2_765 ?
O5 Eu2 Eu2 66.62(11) . 2_765 ?
O6 Eu2 Eu2 69.04(10) . 2_765 ?
O14 Eu2 Eu2 123.61(12) . 2_765 ?
O9 Eu2 Eu2 145.78(11) . 2_765 ?
O11 Eu2 Eu2 83.77(10) . 2_765 ?
O8 Eu2 Eu2 109.78(10) . 2_765 ?
N4 Eu2 Eu2 131.12(13) . 2_765 ?
O10 Eu2 Eu2 34.87(8) . 2_765 ?
C22 Eu2 Eu2 128.80(13) . 2_765 ?
C30 Eu2 Eu2 59.73(13) . 2_765 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.810
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.156

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.332 0.500 413 62 ' '
_database_code_depnum_ccdc_archive 'CCDC 941909' 