# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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.
#
data_a01

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H26 Eu N3 O25 Y2'
_chemical_formula_weight         1086.26

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'
Y Y -2.7962 3.5667 '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                   9.8996(9)
_cell_length_b                   10.1499(9)
_cell_length_c                   19.4607(17)
_cell_angle_alpha                77.1990(10)
_cell_angle_beta                 84.2600(10)
_cell_angle_gamma                61.5250(10)
_cell_volume                     1676.1(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3861
_cell_measurement_theta_min      2.15
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_absorpt_coefficient_mu    5.389
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4793
_exptl_absorpt_correction_T_max  0.5409
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12304
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0530
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         25.50
_reflns_number_total             6073
_reflns_number_gt                5004
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_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)+(0.0495P)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         6073
_refine_ls_number_parameters     542
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.0947
_refine_ls_wR_factor_gt          0.0822
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.053
_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 -0.41828(3) -0.50395(3) -0.265807(15) 0.01734(7) Uani 0.33 1 d P . .
Y1 Y -0.41828(3) -0.50395(3) -0.265807(15) 0.01734(7) Uani 0.67 1 d P . .
Eu2 Eu -0.66404(3) -0.08662(3) -0.044777(15) 0.01544(7) Uani 0.33 1 d P . .
Y2 Y -0.66404(3) -0.08662(3) -0.044777(15) 0.01544(7) Uani 0.67 1 d P . .
Eu3 Eu -0.87822(3) -0.68976(3) -0.350798(15) 0.01969(7) Uani 0.33 1 d P . .
Y3 Y -0.87822(3) -0.68976(3) -0.350798(15) 0.01969(7) Uani 0.67 1 d P . .
O1W O -0.6740(3) 0.1450(3) -0.11734(15) 0.0283(7) Uani 1 1 d D . .
H1WA H -0.752(3) 0.225(3) -0.1114(17) 0.034 Uiso 1 1 d D . .
H1WB H -0.665(4) 0.135(4) -0.1595(9) 0.034 Uiso 1 1 d D . .
O2W O -0.2271(3) -0.7317(3) -0.19155(15) 0.0292(7) Uani 1 1 d D . .
H2WA H -0.212(4) -0.809(2) -0.2076(14) 0.035 Uiso 1 1 d D . .
H2WB H -0.230(5) -0.755(4) -0.1473(8) 0.035 Uiso 1 1 d D . .
O3W O -0.9166(3) -0.8360(3) -0.24362(16) 0.0330(8) Uani 1 1 d D . .
H3WA H -0.839(2) -0.897(4) -0.2192(16) 0.040 Uiso 1 1 d D . .
H3WB H -0.997(2) -0.803(4) -0.2208(16) 0.040 Uiso 1 1 d D . .
O4W O -0.5207(3) -0.2438(3) 0.06133(17) 0.0373(8) Uani 1 1 d D . .
H4WA H -0.526(3) -0.324(2) 0.082(2) 0.045 Uiso 1 1 d D . .
H4WB H -0.471(3) -0.225(4) 0.087(2) 0.12(3) Uiso 1 1 d D . .
O5W O -0.3919(3) -0.3508(4) -0.37501(17) 0.0403(9) Uani 1 1 d D . .
H5WA H -0.456(2) -0.335(5) -0.4047(15) 0.048 Uiso 1 1 d D . .
H5WB H -0.307(2) -0.364(5) -0.3943(18) 0.048 Uiso 1 1 d D . .
O6W O -0.6988(4) -0.9423(3) -0.36254(17) 0.0419(9) Uani 1 1 d D . .
H6WA H -0.663(5) -1.019(3) -0.3304(12) 0.050 Uiso 1 1 d D . .
H6WB H -0.697(5) -0.966(4) -0.4016(10) 0.050 Uiso 1 1 d D . .
O7W O -0.5615(9) -0.5712(11) -0.5106(4) 0.211(4) Uani 1 1 d D . .
H7WA H -0.5435(16) -0.5744(17) -0.4667(7) 0.253 Uiso 1 1 d D . .
H7WB H -0.659(2) -0.552(7) -0.5033(13) 0.253 Uiso 1 1 d D . .
O1 O -1.2379(4) -0.4339(3) -0.25198(19) 0.0471(9) Uani 1 1 d . . .
O2 O -0.9931(4) -0.5110(3) -0.28047(17) 0.0414(9) Uani 1 1 d . . .
O3 O -0.4135(3) -0.1477(4) -0.06906(18) 0.0414(9) Uani 1 1 d . . .
O4 O -0.2509(4) -0.0923(3) -0.02527(17) 0.0413(9) Uani 1 1 d . . .
O5 O -0.4871(3) -0.4885(3) -0.14347(16) 0.0315(8) Uani 1 1 d . . .
O6 O -0.5928(4) -0.3340(3) -0.06549(16) 0.0351(8) Uani 1 1 d . . .
O7 O -0.5923(3) -0.2424(3) -0.24874(16) 0.0343(8) Uani 1 1 d . . .
O8 O -0.6701(3) -0.0921(3) -0.16902(15) 0.0319(8) Uani 1 1 d . . .
O9 O -0.7462(3) -0.5402(3) -0.38474(16) 0.0383(8) Uani 1 1 d D . .
O10 O -0.6213(3) -0.4393(3) -0.34252(16) 0.0336(8) Uani 1 1 d . . .
O11 O -0.5465(3) -0.6567(3) -0.22699(15) 0.0313(7) Uani 1 1 d . . .
O12 O -0.6749(3) -0.7563(3) -0.26716(15) 0.0287(7) Uani 1 1 d . . .
O15 O -1.0647(4) -0.7465(4) -0.37805(19) 0.0504(9) Uani 1 1 d . . .
O16 O -1.2983(4) -0.6849(4) -0.33509(17) 0.0443(9) Uani 1 1 d . . .
O17 O -0.9226(3) -0.5435(3) -0.58174(15) 0.0326(8) Uani 1 1 d . . .
O18 O -0.8377(3) -0.6772(3) -0.47325(15) 0.0313(8) Uani 1 1 d . . .
O19 O -1.1687(3) 0.1525(3) -0.03934(16) 0.0306(8) Uani 1 1 d . . .
O20 O -0.9290(3) 0.0550(3) -0.08031(16) 0.0318(8) Uani 1 1 d . . .
C17 C -0.9304(4) -0.5646(4) -0.5156(2) 0.0247(10) Uani 1 1 d . . .
C18 C -1.0279(4) 0.0594(4) -0.0347(2) 0.0242(10) Uani 1 1 d . . .
C19 C -0.6693(4) -0.5358(5) -0.3393(2) 0.0262(10) Uani 1 1 d . . .
C20 C -0.6263(4) -0.6604(4) -0.2719(2) 0.0235(10) Uani 1 1 d . . .
C21 C -1.3368(7) -0.9470(7) -0.4657(3) 0.0713(17) Uani 1 1 d . . .
H21A H -1.3970 -0.9963 -0.4544 0.086 Uiso 1 1 calc R . .
C22 C -1.1899(6) -0.8742(6) -0.5436(3) 0.0503(15) Uani 1 1 d . . .
H22A H -1.1497 -0.8678 -0.5887 0.060 Uiso 1 1 calc R . .
C23 C -1.3145(6) -0.8831(6) -0.4146(3) 0.0580(14) Uani 1 1 d . . .
H23A H -1.3628 -0.8855 -0.3711 0.070 Uiso 1 1 calc R . .
C24 C -1.1540(5) -0.8127(5) -0.4957(3) 0.0414(13) Uani 1 1 d . . .
H24A H -1.0877 -0.7702 -0.5078 0.050 Uiso 1 1 calc R . .
N1 N 0.0986(4) -0.5801(4) -0.1051(2) 0.0366(11) Uani 1 1 d . . .
N2 N -1.1629(4) 0.0051(4) -0.2282(2) 0.0382(10) Uani 1 1 d . . .
N3 N -1.2786(6) -0.9421(5) -0.5284(2) 0.0566(13) Uani 1 1 d . . .
C1 C -1.0304(5) -0.1000(5) -0.2501(3) 0.0451(13) Uani 1 1 d . . .
H1A H -0.9471 -0.0799 -0.2569 0.054 Uiso 1 1 calc R . .
C2 C -1.0104(5) -0.2372(5) -0.2634(3) 0.0379(12) Uani 1 1 d . . .
H2A H -0.9157 -0.3082 -0.2775 0.045 Uiso 1 1 calc R . .
C3 C -1.1358(4) -0.2648(4) -0.2549(2) 0.0241(10) Uani 1 1 d . . .
C4 C -1.2743(5) -0.1521(5) -0.2349(2) 0.0333(12) Uani 1 1 d . . .
H4A H -1.3617 -0.1653 -0.2309 0.040 Uiso 1 1 calc R . .
C5 C -1.2826(5) -0.0219(5) -0.2211(3) 0.0376(13) Uani 1 1 d . . .
H5A H -1.3755 0.0502 -0.2062 0.045 Uiso 1 1 calc R . .
C6 C -1.1214(5) -0.4155(5) -0.2634(2) 0.0311(11) Uani 1 1 d . . .
C7 C 0.1176(5) -0.4642(5) -0.0963(3) 0.0420(14) Uani 1 1 d . . .
H7A H 0.2156 -0.4726 -0.1018 0.050 Uiso 1 1 calc R . .
C8 C -0.0019(4) -0.3304(5) -0.0793(2) 0.0295(11) Uani 1 1 d . . .
H8A H 0.0164 -0.2524 -0.0724 0.035 Uiso 1 1 calc R . .
C9 C -0.1473(4) -0.3168(4) -0.0728(2) 0.0218(10) Uani 1 1 d . . .
C10 C -0.1686(5) -0.4347(5) -0.0835(2) 0.0305(11) Uani 1 1 d . . .
H10A H -0.2661 -0.4277 -0.0800 0.037 Uiso 1 1 calc R . .
C11 C -0.0424(5) -0.5649(5) -0.0995(3) 0.0377(12) Uani 1 1 d . . .
H11A H -0.0576 -0.6445 -0.1066 0.045 Uiso 1 1 calc R . .
C12 C -0.2817(5) -0.1739(5) -0.0541(2) 0.0286(11) Uani 1 1 d . . .
C13 C -1.2195(5) -0.8160(5) -0.4295(2) 0.0307(11) Uani 1 1 d . . .
C14 C -1.1902(5) -0.7450(5) -0.3766(2) 0.0290(11) Uani 1 1 d . . .
C15 C -0.5598(4) -0.3597(4) -0.1262(2) 0.0266(10) Uani 1 1 d . . .
C16 C -0.6115(4) -0.2198(4) -0.1873(2) 0.0221(10) 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 O1 2.272(3) 1_655 ?
Eu1 O16 2.302(3) 1_655 ?
Eu1 O10 2.368(3) . ?
Eu1 O11 2.398(3) . ?
Eu1 O5W 2.411(3) . ?
Eu1 O5 2.428(3) . ?
Eu1 O2W 2.431(3) . ?
Eu1 O7 2.458(3) . ?
Eu1 C19 3.164(4) . ?
Eu1 C20 3.167(4) . ?
Eu1 C16 3.228(4) . ?
Eu1 C15 3.245(4) . ?
Eu1 H2WA 2.81(2) . ?
Eu1 H5WA 2.81(3) . ?
Eu2 O3 2.278(3) . ?
Eu2 O4 2.297(3) 2_455 ?
Eu2 O6 2.381(3) . ?
Eu2 O20 2.398(3) . ?
Eu2 O4W 2.406(3) . ?
Eu2 O1W 2.422(3) . ?
Eu2 O19 2.428(3) 2_355 ?
Eu2 O8 2.438(3) . ?
Eu2 C18 3.179(4) . ?
Eu2 C15 3.186(4) . ?
Eu2 C18 3.195(4) 2_355 ?
Eu2 C16 3.239(4) . ?
Eu2 H1WB 2.79(3) . ?
Eu3 O2 2.298(3) . ?
Eu3 O15 2.316(3) . ?
Eu3 O18 2.362(3) . ?
Eu3 O6W 2.370(3) . ?
Eu3 O3W 2.388(3) . ?
Eu3 O9 2.392(3) . ?
Eu3 O17 2.430(3) 2_344 ?
Eu3 O12 2.455(3) . ?
Eu3 C17 3.174(4) . ?
Eu3 C19 3.178(4) . ?
Eu3 C20 3.216(4) . ?
Eu3 C17 3.218(4) 2_344 ?
O1W H1WA 0.834(16) . ?
O1W H1WB 0.838(16) . ?
O2W H2WA 0.847(17) . ?
O2W H2WB 0.843(15) . ?
O3W H3WA 0.827(17) . ?
O3W H3WB 0.830(17) . ?
O4W H4WA 0.845(17) . ?
O4W H4WB 0.843(19) . ?
O5W H5WA 0.834(17) . ?
O5W H5WB 0.844(17) . ?
O6W H6WA 0.828(16) . ?
O6W H6WB 0.840(17) . ?
O7W H7WA 0.880(16) . ?
O7W H7WB 0.896(17) . ?
O1 C6 1.245(6) . ?
O1 Y1 2.272(3) 1_455 ?
O1 Eu1 2.272(3) 1_455 ?
O2 C6 1.244(5) . ?
O3 C12 1.253(5) . ?
O4 C12 1.254(6) . ?
O4 Y2 2.297(3) 2_455 ?
O4 Eu2 2.297(3) 2_455 ?
O5 C15 1.260(5) . ?
O6 C15 1.245(5) . ?
O7 C16 1.247(5) . ?
O8 C16 1.261(5) . ?
O9 C19 1.244(5) . ?
O10 C19 1.265(5) . ?
O11 C20 1.254(5) . ?
O12 C20 1.259(5) . ?
O15 C14 1.233(5) . ?
O16 C14 1.262(5) . ?
O16 Y1 2.302(3) 1_455 ?
O16 Eu1 2.302(3) 1_455 ?
O17 C17 1.257(5) . ?
O17 Y3 2.430(3) 2_344 ?
O17 Eu3 2.430(3) 2_344 ?
O18 C17 1.250(5) . ?
O19 C18 1.255(4) . ?
O19 Y2 2.428(3) 2_355 ?
O19 Eu2 2.428(3) 2_355 ?
O20 C18 1.246(5) . ?
C17 C17 1.566(8) 2_344 ?
C17 Eu3 3.218(4) 2_344 ?
C18 C18 1.541(8) 2_355 ?
C18 Eu2 3.195(4) 2_355 ?
C19 C20 1.538(6) . ?
C21 N3 1.297(7) . ?
C21 C23 1.388(8) . ?
C21 H21A 0.9300 . ?
C22 N3 1.329(8) . ?
C22 C24 1.385(7) . ?
C22 H22A 0.9300 . ?
C23 C13 1.379(7) . ?
C23 H23A 0.9300 . ?
C24 C13 1.386(6) . ?
C24 H24A 0.9300 . ?
N1 C7 1.324(6) . ?
N1 C11 1.325(6) . ?
N2 C5 1.326(6) . ?
N2 C1 1.340(6) . ?
C1 C2 1.389(7) . ?
C1 H1A 0.9300 . ?
C2 C3 1.385(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.390(6) . ?
C3 C6 1.512(6) . ?
C4 C5 1.370(7) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C7 C8 1.393(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.375(6) . ?
C8 H8A 0.9300 . ?
C9 C10 1.370(6) . ?
C9 C12 1.518(5) . ?
C10 C11 1.392(6) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C13 C14 1.500(6) . ?
C15 C16 1.540(6) . ?

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 Eu1 O16 103.71(13) 1_655 1_655 ?
O1 Eu1 O10 140.72(11) 1_655 . ?
O16 Eu1 O10 78.82(11) 1_655 . ?
O1 Eu1 O11 151.54(11) 1_655 . ?
O16 Eu1 O11 79.87(12) 1_655 . ?
O10 Eu1 O11 67.71(10) . . ?
O1 Eu1 O5W 70.85(12) 1_655 . ?
O16 Eu1 O5W 78.71(12) 1_655 . ?
O10 Eu1 O5W 71.34(11) . . ?
O11 Eu1 O5W 136.58(11) . . ?
O1 Eu1 O5 87.61(12) 1_655 . ?
O16 Eu1 O5 139.71(11) 1_655 . ?
O10 Eu1 O5 116.08(10) . . ?
O11 Eu1 O5 73.20(10) . . ?
O5W Eu1 O5 140.63(11) . . ?
O1 Eu1 O2W 77.48(11) 1_655 . ?
O16 Eu1 O2W 73.41(10) 1_655 . ?
O10 Eu1 O2W 137.88(10) . . ?
O11 Eu1 O2W 76.61(10) . . ?
O5W Eu1 O2W 130.86(10) . . ?
O5 Eu1 O2W 71.60(9) . . ?
O1 Eu1 O7 81.76(11) 1_655 . ?
O16 Eu1 O7 152.41(10) 1_655 . ?
O10 Eu1 O7 80.23(10) . . ?
O11 Eu1 O7 108.33(10) . . ?
O5W Eu1 O7 77.69(11) . . ?
O5 Eu1 O7 66.60(9) . . ?
O2W Eu1 O7 133.72(10) . . ?
O1 Eu1 C19 159.65(12) 1_655 . ?
O16 Eu1 C19 70.69(11) 1_655 . ?
O10 Eu1 C19 20.70(10) . . ?
O11 Eu1 C19 48.39(10) . . ?
O5W Eu1 C19 88.80(11) . . ?
O5 Eu1 C19 109.47(11) . . ?
O2W Eu1 C19 117.72(10) . . ?
O7 Eu1 C19 94.67(10) . . ?
O1 Eu1 C20 169.81(10) 1_655 . ?
O16 Eu1 C20 71.43(12) 1_655 . ?
O10 Eu1 C20 48.27(10) . . ?
O11 Eu1 C20 20.70(10) . . ?
O5W Eu1 C20 115.89(11) . . ?
O5 Eu1 C20 90.69(11) . . ?
O2W Eu1 C20 92.45(10) . . ?
O7 Eu1 C20 106.76(10) . . ?
C19 Eu1 C20 28.12(11) . . ?
O1 Eu1 C16 78.29(11) 1_655 . ?
O16 Eu1 C16 172.40(10) 1_655 . ?
O10 Eu1 C16 94.96(10) . . ?
O11 Eu1 C16 101.95(10) . . ?
O5W Eu1 C16 95.22(11) . . ?
O5 Eu1 C16 47.16(10) . . ?
O2W Eu1 C16 114.18(10) . . ?
O7 Eu1 C16 20.04(10) . . ?
C19 Eu1 C16 104.87(10) . . ?
C20 Eu1 C16 107.73(10) . . ?
O1 Eu1 C15 82.17(12) 1_655 . ?
O16 Eu1 C15 159.38(11) 1_655 . ?
O10 Eu1 C15 109.34(10) . . ?
O11 Eu1 C15 85.79(11) . . ?
O5W Eu1 C15 121.65(11) . . ?
O5 Eu1 C15 19.68(10) . . ?
O2W Eu1 C15 88.96(10) . . ?
O7 Eu1 C15 47.21(10) . . ?
C19 Eu1 C15 110.11(11) . . ?
C20 Eu1 C15 99.39(11) . . ?
C16 Eu1 C15 27.52(10) . . ?
O1 Eu1 H2WA 89.5(7) 1_655 . ?
O16 Eu1 H2WA 58.7(5) 1_655 . ?
O10 Eu1 H2WA 122.4(6) . . ?
O11 Eu1 H2WA 68.0(7) . . ?
O5W Eu1 H2WA 127.4(7) . . ?
O5 Eu1 H2WA 83.3(5) . . ?
O2W Eu1 H2WA 16.6(5) . . ?
O7 Eu1 H2WA 148.9(5) . . ?
C19 Eu1 H2WA 103.1(6) . . ?
C20 Eu1 H2WA 80.4(7) . . ?
C16 Eu1 H2WA 128.8(5) . . ?
C15 Eu1 H2WA 102.1(5) . . ?
O1 Eu1 H5WA 86.9(6) 1_655 . ?
O16 Eu1 H5WA 75.1(7) 1_655 . ?
O10 Eu1 H5WA 55.4(5) . . ?
O11 Eu1 H5WA 120.8(6) . . ?
O5W Eu1 H5WA 16.1(5) . . ?
O5 Eu1 H5WA 144.9(7) . . ?
O2W Eu1 H5WA 140.1(5) . . ?
O7 Eu1 H5WA 78.3(7) . . ?
C19 Eu1 H5WA 72.8(6) . . ?
C20 Eu1 H5WA 100.1(6) . . ?
C16 Eu1 H5WA 97.8(7) . . ?
C15 Eu1 H5WA 125.3(7) . . ?
H2WA Eu1 H5WA 131.3(9) . . ?
O3 Eu2 O4 106.21(13) . 2_455 ?
O3 Eu2 O6 84.67(12) . . ?
O4 Eu2 O6 153.09(11) 2_455 . ?
O3 Eu2 O20 149.31(11) . . ?
O4 Eu2 O20 80.76(11) 2_455 . ?
O6 Eu2 O20 102.59(11) . . ?
O3 Eu2 O4W 73.52(11) . . ?
O4 Eu2 O4W 79.99(11) 2_455 . ?
O6 Eu2 O4W 79.73(11) . . ?
O20 Eu2 O4W 136.90(10) . . ?
O3 Eu2 O1W 75.54(10) . . ?
O4 Eu2 O1W 72.79(11) 2_455 . ?
O6 Eu2 O1W 134.13(10) . . ?
O20 Eu2 O1W 78.35(10) . . ?
O4W Eu2 O1W 130.51(11) . . ?
O3 Eu2 O19 143.35(10) . 2_355 ?
O4 Eu2 O19 76.11(12) 2_455 2_355 ?
O6 Eu2 O19 80.65(10) . 2_355 ?
O20 Eu2 O19 67.16(9) . 2_355 ?
O4W Eu2 O19 70.92(10) . 2_355 ?
O1W Eu2 O19 136.49(9) . 2_355 ?
O3 Eu2 O8 82.53(11) . . ?
O4 Eu2 O8 138.13(10) 2_455 . ?
O6 Eu2 O8 66.59(10) . . ?
O20 Eu2 O8 73.57(10) . . ?
O4W Eu2 O8 140.20(10) . . ?
O1W Eu2 O8 70.04(10) . . ?
O19 Eu2 O8 120.80(11) 2_355 . ?
O3 Eu2 C18 168.31(11) . . ?
O4 Eu2 C18 71.65(12) 2_455 . ?
O6 Eu2 C18 102.32(11) . . ?
O20 Eu2 C18 20.24(10) . . ?
O4W Eu2 C18 116.68(11) . . ?
O1W Eu2 C18 92.98(10) . . ?
O19 Eu2 C18 48.06(9) 2_355 . ?
O8 Eu2 C18 91.61(10) . . ?
O3 Eu2 C15 78.00(12) . . ?
O4 Eu2 C15 172.67(12) 2_455 . ?
O6 Eu2 C15 19.84(10) . . ?
O20 Eu2 C15 98.70(10) . . ?
O4W Eu2 C15 95.75(11) . . ?
O1W Eu2 C15 114.35(11) . . ?
O19 Eu2 C15 96.90(11) 2_355 . ?
O8 Eu2 C15 47.58(10) . . ?
C18 Eu2 C15 105.44(11) . . ?
O3 Eu2 C18 162.76(11) . 2_355 ?
O4 Eu2 C18 69.38(12) 2_455 2_355 ?
O6 Eu2 C18 92.84(11) . 2_355 ?
O20 Eu2 C18 47.81(10) . 2_355 ?
O4W Eu2 C18 89.25(10) . 2_355 ?
O1W Eu2 C18 117.15(9) . 2_355 ?
O19 Eu2 C18 20.54(9) 2_355 2_355 ?
O8 Eu2 C18 112.16(11) . 2_355 ?
C18 Eu2 C18 27.97(14) . 2_355 ?
C15 Eu2 C18 104.79(11) . 2_355 ?
O3 Eu2 C16 78.29(12) . . ?
O4 Eu2 C16 158.06(10) 2_455 . ?
O6 Eu2 C16 47.10(10) . . ?
O20 Eu2 C16 85.04(10) . . ?
O4W Eu2 C16 121.45(10) . . ?
O1W Eu2 C16 88.06(10) . . ?
O19 Eu2 C16 113.46(11) 2_355 . ?
O8 Eu2 C16 19.95(9) . . ?
C18 Eu2 C16 99.48(10) . . ?
C15 Eu2 C16 27.72(10) . . ?
C18 Eu2 C16 112.26(11) 2_355 . ?
O3 Eu2 H1WB 73.4(8) . . ?
O4 Eu2 H1WB 89.0(5) 2_455 . ?
O6 Eu2 H1WB 117.9(5) . . ?
O20 Eu2 H1WB 77.0(8) . . ?
O4W Eu2 H1WB 140.4(8) . . ?
O1W Eu2 H1WB 16.6(5) . . ?
O19 Eu2 H1WB 142.8(7) 2_355 . ?
O8 Eu2 H1WB 53.6(6) . . ?
C18 Eu2 H1WB 95.0(8) . . ?
C15 Eu2 H1WB 98.0(5) . . ?
C18 Eu2 H1WB 122.3(7) 2_355 . ?
C16 Eu2 H1WB 71.5(5) . . ?
O2 Eu3 O15 106.79(13) . . ?
O2 Eu3 O18 134.47(10) . . ?
O15 Eu3 O18 80.15(12) . . ?
O2 Eu3 O6W 148.79(11) . . ?
O15 Eu3 O6W 86.18(12) . . ?
O18 Eu3 O6W 74.85(10) . . ?
O2 Eu3 O3W 77.70(11) . . ?
O15 Eu3 O3W 75.30(12) . . ?
O18 Eu3 O3W 144.66(11) . . ?
O6W Eu3 O3W 78.48(11) . . ?
O2 Eu3 O9 78.25(12) . . ?
O15 Eu3 O9 147.49(11) . . ?
O18 Eu3 O9 74.58(11) . . ?
O6W Eu3 O9 106.17(12) . . ?
O3W Eu3 O9 136.00(11) . . ?
O2 Eu3 O17 70.98(10) . 2_344 ?
O15 Eu3 O17 72.78(11) . 2_344 ?
O18 Eu3 O17 68.51(9) . 2_344 ?
O6W Eu3 O17 140.11(10) . 2_344 ?
O3W Eu3 O17 125.52(10) . 2_344 ?
O9 Eu3 O17 79.08(10) . 2_344 ?
O2 Eu3 O12 76.04(10) . . ?
O15 Eu3 O12 145.43(11) . . ?
O18 Eu3 O12 123.21(10) . . ?
O6W Eu3 O12 77.54(10) . . ?
O3W Eu3 O12 71.70(10) . . ?
O9 Eu3 O12 67.03(10) . . ?
O17 Eu3 O12 136.57(10) 2_344 . ?
O2 Eu3 C17 116.42(10) . . ?
O15 Eu3 C17 75.62(12) . . ?
O18 Eu3 C17 20.00(9) . . ?
O6W Eu3 C17 94.08(10) . . ?
O3W Eu3 C17 150.38(11) . . ?
O9 Eu3 C17 73.62(11) . . ?
O17 Eu3 C17 48.51(10) 2_344 . ?
O12 Eu3 C17 135.16(10) . . ?
O2 Eu3 C19 69.55(12) . . ?
O15 Eu3 C19 166.02(11) . . ?
O18 Eu3 C19 92.92(11) . . ?
O6W Eu3 C19 103.83(11) . . ?
O3W Eu3 C19 115.89(11) . . ?
O9 Eu3 C19 20.14(10) . . ?
O17 Eu3 C19 93.42(11) 2_344 . ?
O12 Eu3 C19 48.05(10) . . ?
C17 Eu3 C19 93.71(11) . . ?
O2 Eu3 C20 68.77(11) . . ?
O15 Eu3 C20 164.64(12) . . ?
O18 Eu3 C20 113.75(11) . . ?
O6W Eu3 C20 91.14(11) . . ?
O3W Eu3 C20 89.34(11) . . ?
O9 Eu3 C20 47.51(10) . . ?
O17 Eu3 C20 117.47(11) 2_344 . ?
O12 Eu3 C20 20.57(10) . . ?
C17 Eu3 C20 119.69(11) . . ?
C19 Eu3 C20 27.83(10) . . ?
O2 Eu3 C17 89.88(11) . 2_344 ?
O15 Eu3 C17 72.47(11) . 2_344 ?
O18 Eu3 C17 48.34(9) . 2_344 ?
O6W Eu3 C17 121.28(11) . 2_344 ?
O3W Eu3 C17 140.23(10) . 2_344 ?
O9 Eu3 C17 75.49(10) . 2_344 ?
O17 Eu3 C17 20.16(10) 2_344 2_344 ?
O12 Eu3 C17 141.83(10) . 2_344 ?
C17 Eu3 C17 28.35(13) . 2_344 ?
C19 Eu3 C17 93.83(11) . 2_344 ?
C20 Eu3 C17 121.31(11) . 2_344 ?
Eu2 O1W H1WA 114(2) . . ?
Eu2 O1W H1WB 108(3) . . ?
H1WA O1W H1WB 112(3) . . ?
Eu1 O2W H2WA 108.1(19) . . ?
Eu1 O2W H2WB 126(2) . . ?
H2WA O2W H2WB 108(3) . . ?
Eu3 O3W H3WA 117(2) . . ?
Eu3 O3W H3WB 122(3) . . ?
H3WA O3W H3WB 114(3) . . ?
Eu2 O4W H4WA 121(2) . . ?
Eu2 O4W H4WB 128(3) . . ?
H4WA O4W H4WB 110(3) . . ?
Eu1 O5W H5WA 111(3) . . ?
Eu1 O5W H5WB 125(2) . . ?
H5WA O5W H5WB 111(3) . . ?
Eu3 O6W H6WA 127(2) . . ?
Eu3 O6W H6WB 117(2) . . ?
H6WA O6W H6WB 112(3) . . ?
H7WA O7W H7WB 95.1(18) . . ?
C6 O1 Y1 159.6(3) . 1_455 ?
C6 O1 Eu1 159.6(3) . 1_455 ?
Y1 O1 Eu1 0.000(16) 1_455 1_455 ?
C6 O2 Eu3 141.9(3) . . ?
C12 O3 Eu2 153.9(3) . . ?
C12 O4 Y2 146.9(3) . 2_455 ?
C12 O4 Eu2 146.9(3) . 2_455 ?
Y2 O4 Eu2 0.000(13) 2_455 2_455 ?
C15 O5 Eu1 119.9(3) . . ?
C15 O6 Eu2 119.7(3) . . ?
C16 O7 Eu1 117.5(2) . . ?
C16 O8 Eu2 118.7(3) . . ?
C19 O9 Eu3 118.4(3) . . ?
C19 O10 Eu1 117.9(2) . . ?
C20 O11 Eu1 116.8(3) . . ?
C20 O12 Eu3 116.2(2) . . ?
C14 O15 Eu3 158.3(3) . . ?
C14 O16 Y1 148.2(3) . 1_455 ?
C14 O16 Eu1 148.2(3) . 1_455 ?
Y1 O16 Eu1 0.000(17) 1_455 1_455 ?
C17 O17 Y3 118.1(2) . 2_344 ?
C17 O17 Eu3 118.1(2) . 2_344 ?
Y3 O17 Eu3 0.00(2) 2_344 2_344 ?
C17 O18 Eu3 119.8(3) . . ?
C18 O19 Y2 116.7(3) . 2_355 ?
C18 O19 Eu2 116.7(3) . 2_355 ?
Y2 O19 Eu2 0.000(19) 2_355 2_355 ?
C18 O20 Eu2 118.0(2) . . ?
O18 C17 O17 126.3(4) . . ?
O18 C17 C17 117.7(5) . 2_344 ?
O17 C17 C17 116.0(4) . 2_344 ?
O18 C17 Eu3 40.3(2) . . ?
O17 C17 Eu3 166.6(3) . . ?
C17 C17 Eu3 77.4(3) 2_344 . ?
O18 C17 Eu3 168.1(3) . 2_344 ?
O17 C17 Eu3 41.78(18) . 2_344 ?
C17 C17 Eu3 74.2(3) 2_344 2_344 ?
Eu3 C17 Eu3 151.65(13) . 2_344 ?
O20 C18 O19 126.3(4) . . ?
O20 C18 C18 117.0(4) . 2_355 ?
O19 C18 C18 116.7(4) . 2_355 ?
O20 C18 Eu2 41.76(18) . . ?
O19 C18 Eu2 162.8(3) . . ?
C18 C18 Eu2 76.6(3) 2_355 . ?
O20 C18 Eu2 164.0(3) . 2_355 ?
O19 C18 Eu2 42.8(2) . 2_355 ?
C18 C18 Eu2 75.4(3) 2_355 2_355 ?
Eu2 C18 Eu2 152.03(14) . 2_355 ?
O9 C19 O10 126.9(4) . . ?
O9 C19 C20 117.4(4) . . ?
O10 C19 C20 115.7(4) . . ?
O9 C19 Eu1 162.2(3) . . ?
O10 C19 Eu1 41.43(19) . . ?
C20 C19 Eu1 76.1(2) . . ?
O9 C19 Eu3 41.5(2) . . ?
O10 C19 Eu3 163.0(3) . . ?
C20 C19 Eu3 77.5(2) . . ?
Eu1 C19 Eu3 153.50(15) . . ?
O11 C20 O12 126.3(4) . . ?
O11 C20 C19 116.9(4) . . ?
O12 C20 C19 116.8(4) . . ?
O11 C20 Eu1 42.5(2) . . ?
O12 C20 Eu1 163.6(3) . . ?
C19 C20 Eu1 75.8(2) . . ?
O11 C20 Eu3 164.8(3) . . ?
O12 C20 Eu3 43.25(19) . . ?
C19 C20 Eu3 74.7(2) . . ?
Eu1 C20 Eu3 150.53(14) . . ?
N3 C21 C23 124.0(6) . . ?
N3 C21 H21A 118.0 . . ?
C23 C21 H21A 118.0 . . ?
N3 C22 C24 123.6(5) . . ?
N3 C22 H22A 118.2 . . ?
C24 C22 H22A 118.2 . . ?
C13 C23 C21 118.7(5) . . ?
C13 C23 H23A 120.7 . . ?
C21 C23 H23A 120.7 . . ?
C22 C24 C13 118.2(5) . . ?
C22 C24 H24A 120.9 . . ?
C13 C24 H24A 120.9 . . ?
C7 N1 C11 117.8(4) . . ?
C5 N2 C1 117.7(4) . . ?
C21 N3 C22 117.5(5) . . ?
N2 C1 C2 123.8(4) . . ?
N2 C1 H1A 118.1 . . ?
C2 C1 H1A 118.1 . . ?
C3 C2 C1 117.9(4) . . ?
C3 C2 H2A 121.1 . . ?
C1 C2 H2A 121.1 . . ?
C2 C3 C4 117.8(4) . . ?
C2 C3 C6 121.3(4) . . ?
C4 C3 C6 120.8(4) . . ?
C5 C4 C3 120.3(4) . . ?
C5 C4 H4A 119.8 . . ?
C3 C4 H4A 119.8 . . ?
N2 C5 C4 122.4(4) . . ?
N2 C5 H5A 118.8 . . ?
C4 C5 H5A 118.8 . . ?
O2 C6 O1 125.7(4) . . ?
O2 C6 C3 116.9(4) . . ?
O1 C6 C3 117.4(4) . . ?
N1 C7 C8 123.3(5) . . ?
N1 C7 H7A 118.3 . . ?
C8 C7 H7A 118.3 . . ?
C9 C8 C7 118.2(4) . . ?
C9 C8 H8A 120.9 . . ?
C7 C8 H8A 120.9 . . ?
C10 C9 C8 118.8(4) . . ?
C10 C9 C12 120.7(4) . . ?
C8 C9 C12 120.5(4) . . ?
C9 C10 C11 119.1(4) . . ?
C9 C10 H10A 120.5 . . ?
C11 C10 H10A 120.5 . . ?
N1 C11 C10 122.7(4) . . ?
N1 C11 H11A 118.7 . . ?
C10 C11 H11A 118.7 . . ?
O3 C12 O4 125.8(4) . . ?
O3 C12 C9 117.0(4) . . ?
O4 C12 C9 117.2(4) . . ?
C23 C13 C24 118.0(5) . . ?
C23 C13 C14 121.5(4) . . ?
C24 C13 C14 120.5(4) . . ?
O15 C14 O16 125.1(4) . . ?
O15 C14 C13 117.9(4) . . ?
O16 C14 C13 117.0(4) . . ?
O6 C15 O5 127.0(4) . . ?
O6 C15 C16 117.0(3) . . ?
O5 C15 C16 116.0(4) . . ?
O6 C15 Eu2 40.5(2) . . ?
O5 C15 Eu2 162.0(3) . . ?
C16 C15 Eu2 78.0(2) . . ?
O6 C15 Eu1 166.8(3) . . ?
O5 C15 Eu1 40.5(2) . . ?
C16 C15 Eu1 75.6(2) . . ?
Eu2 C15 Eu1 149.59(15) . . ?
O7 C16 O8 126.6(4) . . ?
O7 C16 C15 118.1(4) . . ?
O8 C16 C15 115.2(4) . . ?
O7 C16 Eu1 42.50(18) . . ?
O8 C16 Eu1 164.5(3) . . ?
C15 C16 Eu1 76.9(2) . . ?
O7 C16 Eu2 166.8(3) . . ?
O8 C16 Eu2 41.30(19) . . ?
C15 C16 Eu2 74.2(2) . . ?
Eu1 C16 Eu2 147.36(13) . . ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.750
_refine_diff_density_rms         0.137
_database_code_depnum_ccdc_archive 'CCDC 982409'
#######################################################################
#
#                 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_a02

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C7 H5 Eu0.44 N O5 Y0.56'
_chemical_formula_weight         299.61

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'
Y Y -2.7962 3.5667 '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           'Orthorhombic '
_symmetry_space_group_name_H-M   Pbcn

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

_cell_length_a                   7.4519(6)
_cell_length_b                   19.2623(15)
_cell_length_c                   12.3897(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1778.4(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4758
_cell_measurement_theta_min      2.679
_cell_measurement_theta_max      26.687

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.238
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1148
_exptl_absorpt_coefficient_mu    6.769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4300
_exptl_absorpt_correction_T_max  0.4972
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11958
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0182
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         25.50
_reflns_number_total             1650
_reflns_number_gt                1463
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_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)+(0.0250P)²+1.8191P] 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     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1650
_refine_ls_number_parameters     131
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0230
_refine_ls_wR_factor_ref         0.0553
_refine_ls_wR_factor_gt          0.0537
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_restrained_S_all      1.157
_refine_ls_shift/su_max          0.017
_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
Eu1 Eu 0.23897(2) 0.266201(11) 0.458787(16) 0.01363(10) Uani 0.44 1 d P . .
Y1 Y 0.23897(2) 0.266201(11) 0.458787(16) 0.01363(10) Uani 0.56 1 d P . .
O1 O 0.3065(4) -0.12188(13) 0.3762(2) 0.0395(6) Uani 1 1 d . . .
O2 O 0.2291(3) -0.12193(15) 0.5467(2) 0.0363(7) Uani 1 1 d . . .
O3 O 0.4343(3) 0.24590(11) 0.61541(16) 0.0165(5) Uani 1 1 d . . .
O4 O 0.2694(3) 0.25457(11) 0.76584(19) 0.0199(5) Uani 1 1 d . . .
C1 C 0.3006(5) 0.09612(19) 0.3704(3) 0.0353(9) Uani 1 1 d . . .
H1A H 0.3310 0.1202 0.3080 0.042 Uiso 1 1 calc R . .
C2 C 0.3076(5) 0.02437(18) 0.3680(3) 0.0339(9) Uani 1 1 d . . .
H2A H 0.3405 0.0011 0.3053 0.041 Uiso 1 1 calc R . .
C3 C 0.2649(4) -0.01231(19) 0.4606(3) 0.0254(9) Uani 1 1 d . . .
C4 C 0.2171(5) 0.0249(2) 0.5518(3) 0.0301(8) Uani 1 1 d . . .
H4A H 0.1882 0.0021 0.6156 0.036 Uiso 1 1 calc R . .
C5 C 0.2131(5) 0.0966(2) 0.5462(3) 0.0314(8) Uani 1 1 d . . .
H5A H 0.1812 0.1211 0.6079 0.038 Uiso 1 1 calc R . .
C6 C 0.2673(4) -0.0901(2) 0.4614(3) 0.0242(8) Uani 1 1 d . . .
C7 C 0.4134(4) 0.24999(13) 0.7166(2) 0.0121(6) Uani 1 1 d . . .
N1 N 0.2526(3) 0.13261(18) 0.4570(2) 0.0287(7) Uani 1 1 d . . .
O1H O 0.0289(3) 0.24383(12) 0.58499(18) 0.0183(5) Uani 1 1 d D . .
H1 H 0.067(5) 0.2424(18) 0.6379(18) 0.022 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 O1H 2.236(2) 4_556 ?
Eu1 O1H 2.254(2) . ?
Eu1 O1 2.410(2) 8_665 ?
Eu1 O4 2.425(2) 2_554 ?
Eu1 O2 2.426(3) 8_665 ?
Eu1 O3 2.457(2) . ?
Eu1 O3 2.461(2) 4_456 ?
Eu1 N1 2.575(3) . ?
Eu1 C6 2.768(4) 8_665 ?
Eu1 C7 3.223(3) 2_554 ?
Eu1 Y1 3.9135(3) 4_556 ?
Eu1 Eu1 3.9135(3) 4_556 ?
Eu1 H1 2.60(3) . ?
O1 C6 1.254(4) . ?
O1 Y1 2.410(2) 8_655 ?
O1 Eu1 2.410(2) 8_655 ?
O2 C6 1.254(4) . ?
O2 Y1 2.426(3) 8_655 ?
O2 Eu1 2.426(3) 8_655 ?
O3 C7 1.266(3) . ?
O3 Y1 2.461(2) 4_556 ?
O3 Eu1 2.461(2) 4_556 ?
O4 C7 1.237(3) . ?
O4 Y1 2.425(2) 2 ?
O4 Eu1 2.425(2) 2 ?
C1 N1 1.332(5) . ?
C1 C2 1.384(5) . ?
C1 H1A 0.9300 . ?
C2 C3 1.384(5) . ?
C2 H2A 0.9300 . ?
C3 C4 1.384(5) . ?
C3 C6 1.499(5) . ?
C4 C5 1.383(5) . ?
C4 H4A 0.9300 . ?
C5 N1 1.338(5) . ?
C5 H5A 0.9300 . ?
C6 Y1 2.768(4) 8_655 ?
C6 Eu1 2.768(4) 8_655 ?
C7 C7 1.533(5) 3_656 ?
C7 Eu1 3.223(3) 2 ?
O1H Y1 2.236(2) 4_456 ?
O1H Eu1 2.236(2) 4_456 ?
O1H H1 0.716(18) . ?

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
O1H Eu1 O1H 145.37(5) 4_556 . ?
O1H Eu1 O1 96.33(9) 4_556 8_665 ?
O1H Eu1 O1 111.57(9) . 8_665 ?
O1H Eu1 O4 76.80(7) 4_556 2_554 ?
O1H Eu1 O4 129.37(7) . 2_554 ?
O1 Eu1 O4 74.07(8) 8_665 2_554 ?
O1H Eu1 O2 95.22(8) 4_556 8_665 ?
O1H Eu1 O2 85.78(8) . 8_665 ?
O1 Eu1 O2 53.83(9) 8_665 8_665 ?
O4 Eu1 O2 126.28(8) 2_554 8_665 ?
O1H Eu1 O3 66.77(7) 4_556 . ?
O1H Eu1 O3 80.39(7) . . ?
O1 Eu1 O3 124.12(8) 8_665 . ?
O4 Eu1 O3 140.16(6) 2_554 . ?
O2 Eu1 O3 74.26(8) 8_665 . ?
O1H Eu1 O3 142.45(7) 4_556 4_456 ?
O1H Eu1 O3 66.43(7) . 4_456 ?
O1 Eu1 O3 78.25(8) 8_665 4_456 ?
O4 Eu1 O3 65.93(6) 2_554 4_456 ?
O2 Eu1 O3 110.01(8) 8_665 4_456 ?
O3 Eu1 O3 145.74(5) . 4_456 ?
O1H Eu1 N1 82.73(8) 4_556 . ?
O1H Eu1 N1 80.93(8) . . ?
O1 Eu1 N1 153.61(9) 8_665 . ?
O4 Eu1 N1 80.09(8) 2_554 . ?
O2 Eu1 N1 152.54(9) 8_665 . ?
O3 Eu1 N1 79.87(8) . . ?
O3 Eu1 N1 86.49(7) 4_456 . ?
O1H Eu1 C6 96.07(9) 4_556 8_665 ?
O1H Eu1 C6 99.85(9) . 8_665 ?
O1 Eu1 C6 26.92(9) 8_665 8_665 ?
O4 Eu1 C6 100.15(9) 2_554 8_665 ?
O2 Eu1 C6 26.92(9) 8_665 8_665 ?
O3 Eu1 C6 99.20(8) . 8_665 ?
O3 Eu1 C6 94.79(8) 4_456 8_665 ?
N1 Eu1 C6 178.69(8) . 8_665 ?
O1H Eu1 C7 96.10(8) 4_556 2_554 ?
O1H Eu1 C7 112.49(7) . 2_554 ?
O1 Eu1 C7 69.02(7) 8_665 2_554 ?
O4 Eu1 C7 19.46(6) 2_554 2_554 ?
O2 Eu1 C7 122.57(7) 8_665 2_554 ?
O3 Eu1 C7 158.20(7) . 2_554 ?
O3 Eu1 C7 47.00(7) 4_456 2_554 ?
N1 Eu1 C7 84.80(8) . 2_554 ?
C6 Eu1 C7 95.84(8) 8_665 2_554 ?
O1H Eu1 Y1 29.49(6) 4_556 4_556 ?
O1H Eu1 Y1 116.73(5) . 4_556 ?
O1 Eu1 Y1 112.79(7) 8_665 4_556 ?
O4 Eu1 Y1 104.81(4) 2_554 4_556 ?
O2 Eu1 Y1 86.06(6) 8_665 4_556 ?
O3 Eu1 Y1 37.30(5) . 4_556 ?
O3 Eu1 Y1 163.93(5) 4_456 4_556 ?
N1 Eu1 Y1 78.77(6) . 4_556 ?
C6 Eu1 Y1 99.93(6) 8_665 4_556 ?
C7 Eu1 Y1 124.25(5) 2_554 4_556 ?
O1H Eu1 Eu1 29.49(6) 4_556 4_556 ?
O1H Eu1 Eu1 116.73(5) . 4_556 ?
O1 Eu1 Eu1 112.79(7) 8_665 4_556 ?
O4 Eu1 Eu1 104.81(4) 2_554 4_556 ?
O2 Eu1 Eu1 86.06(6) 8_665 4_556 ?
O3 Eu1 Eu1 37.30(5) . 4_556 ?
O3 Eu1 Eu1 163.93(5) 4_456 4_556 ?
N1 Eu1 Eu1 78.77(6) . 4_556 ?
C6 Eu1 Eu1 99.93(6) 8_665 4_556 ?
C7 Eu1 Eu1 124.25(5) 2_554 4_556 ?
Y1 Eu1 Eu1 0.000(8) 4_556 4_556 ?
O1H Eu1 H1 131.8(6) 4_556 . ?
O1H Eu1 H1 14.9(6) . . ?
O1 Eu1 H1 116.8(7) 8_665 . ?
O4 Eu1 H1 143.0(6) 2_554 . ?
O2 Eu1 H1 79.7(7) 8_665 . ?
O3 Eu1 H1 65.7(6) . . ?
O3 Eu1 H1 81.3(6) 4_456 . ?
N1 Eu1 H1 81.4(8) . . ?
C6 Eu1 H1 99.1(8) 8_665 . ?
C7 Eu1 H1 127.1(6) 2_554 . ?
Y1 Eu1 H1 102.5(6) 4_556 . ?
Eu1 Eu1 H1 102.5(6) 4_556 . ?
C6 O1 Y1 92.7(2) . 8_655 ?
C6 O1 Eu1 92.7(2) . 8_655 ?
Y1 O1 Eu1 0.000(9) 8_655 8_655 ?
C6 O2 Y1 91.9(2) . 8_655 ?
C6 O2 Eu1 91.9(2) . 8_655 ?
Y1 O2 Eu1 0.000(5) 8_655 8_655 ?
C7 O3 Eu1 134.40(17) . . ?
C7 O3 Y1 119.29(17) . 4_556 ?
Eu1 O3 Y1 105.46(7) . 4_556 ?
C7 O3 Eu1 119.29(17) . 4_556 ?
Eu1 O3 Eu1 105.46(7) . 4_556 ?
Y1 O3 Eu1 0.000(13) 4_556 4_556 ?
C7 O4 Y1 119.78(18) . 2 ?
C7 O4 Eu1 119.78(18) . 2 ?
Y1 O4 Eu1 0.000(10) 2 2 ?
N1 C1 C2 123.7(4) . . ?
N1 C1 H1A 118.2 . . ?
C2 C1 H1A 118.2 . . ?
C1 C2 C3 118.9(4) . . ?
C1 C2 H2A 120.5 . . ?
C3 C2 H2A 120.5 . . ?
C4 C3 C2 118.1(3) . . ?
C4 C3 C6 121.0(3) . . ?
C2 C3 C6 120.9(3) . . ?
C3 C4 C5 118.8(4) . . ?
C3 C4 H4A 120.6 . . ?
C5 C4 H4A 120.6 . . ?
N1 C5 C4 123.7(4) . . ?
N1 C5 H5A 118.1 . . ?
C4 C5 H5A 118.1 . . ?
O1 C6 O2 121.6(4) . . ?
O1 C6 C3 119.0(3) . . ?
O2 C6 C3 119.4(3) . . ?
O1 C6 Y1 60.42(19) . 8_655 ?
O2 C6 Y1 61.2(2) . 8_655 ?
C3 C6 Y1 178.0(2) . 8_655 ?
O1 C6 Eu1 60.42(19) . 8_655 ?
O2 C6 Eu1 61.2(2) . 8_655 ?
C3 C6 Eu1 178.0(2) . 8_655 ?
Y1 C6 Eu1 0.000(8) 8_655 8_655 ?
O4 C7 O3 126.8(3) . . ?
O4 C7 C7 117.7(3) . 3_656 ?
O3 C7 C7 115.5(3) . 3_656 ?
O4 C7 Eu1 40.76(14) . 2 ?
O3 C7 Eu1 163.60(19) . 2 ?
C7 C7 Eu1 78.2(2) 3_656 2 ?
C1 N1 C5 116.8(4) . . ?
C1 N1 Eu1 123.0(2) . . ?
C5 N1 Eu1 120.2(2) . . ?
Y1 O1H Eu1 0.000(11) 4_456 4_456 ?
Y1 O1H Eu1 121.29(10) 4_456 . ?
Eu1 O1H Eu1 121.29(10) 4_456 . ?
Y1 O1H H1 127(3) 4_456 . ?
Eu1 O1H H1 127(3) 4_456 . ?
Eu1 O1H H1 111(3) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.099
_database_code_depnum_ccdc_archive 'CCDC 982410'
