# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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
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# 
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#  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_d

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C78 H56 Eu2 N2 O16'
_chemical_formula_weight         1581.21

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   P2/n

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

_cell_length_a                   21.8054(12)
_cell_length_b                   9.0383(3)
_cell_length_c                   49.995(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.591(4)
_cell_angle_gamma                90.00
_cell_volume                     9788.0(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6283
_cell_measurement_theta_min      0.90161
_cell_measurement_theta_max      1.00000

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      1.0703(1)
_exptl_crystal_density_diffrn    1.035
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3152
_exptl_absorpt_coefficient_mu    1.320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.29298
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   none

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean none
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            30669
_diffrn_reflns_av_R_equivalents  0.0931
_diffrn_reflns_av_sigmaI/netI    0.1203
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         2.35
_diffrn_reflns_theta_max         22.00
_reflns_number_total             11992
_reflns_number_gt                7870
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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)+(0.0970P)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         11992
_refine_ls_number_parameters     883
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0754
_refine_ls_wR_factor_ref         0.1885
_refine_ls_wR_factor_gt          0.1748
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_restrained_S_all      0.952
_refine_ls_shift/su_max          0.005
_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 -0.41152(2) 0.36698(5) 0.848653(11) 0.0498(2) Uani 1 1 d . . .
Eu2 Eu 0.44644(2) -0.93392(6) 1.091400(12) 0.0498(2) Uani 1 1 d . . .
N1 N 0.1262(3) 0.0188(9) 0.94817(19) 0.061(3) Uani 1 1 d . . .
N2 N 0.0095(3) 1.3094(10) 0.8189(2) 0.069(3) Uani 1 1 d . . .
O1 O -0.3641(3) 0.0818(8) 0.90407(18) 0.077(3) Uani 1 1 d . . .
O2 O -0.3415(3) 0.2879(8) 0.88383(16) 0.063(2) Uani 1 1 d . . .
O3 O -0.3569(3) 0.5987(7) 0.85515(18) 0.076(2) Uani 1 1 d . . .
O4 O -0.3159(4) 0.4374(8) 0.83012(18) 0.089(3) Uani 1 1 d . . .
O5 O -0.4454(3) 0.4820(7) 0.88844(15) 0.066(2) Uani 1 1 d . . .
H5A H -0.4663 0.5552 0.8840 0.100 Uiso 1 1 calc R . .
O6 O -0.4881(5) 0.5430(10) 0.8260(2) 0.130(4) Uani 1 1 d . . .
H6A H -0.5228 0.5078 0.8256 0.195 Uiso 1 1 calc R . .
O7 O -0.0700(4) 2.2711(8) 0.69624(16) 0.092(3) Uani 1 1 d . . .
O8 O 0.3828(4) -0.8520(9) 1.04914(16) 0.088(3) Uani 1 1 d . . .
O9 O 0.4183(3) -0.8690(7) 1.13587(12) 0.0567(18) Uani 1 1 d . . .
H9B H 0.4011 -0.7883 1.1351 0.085 Uiso 1 1 calc R . .
O10 O 0.3809(4) -0.7164(8) 1.08453(17) 0.078(3) Uani 1 1 d . . .
O11 O 0.4630(4) -1.1361(9) 1.0599(2) 0.114(3) Uani 1 1 d . . .
H11A H 0.4874 -1.1962 1.0674 0.172 Uiso 1 1 calc R . .
O12 O 0.4825(3) 1.0612(10) 0.88111(19) 0.092(3) Uani 1 1 d . . .
O14 O 0.4986(3) 1.2419(10) 0.8540(2) 0.095(3) Uani 1 1 d . . .
O15 O -0.1124(3) 2.1157(7) 0.66663(17) 0.0579(19) Uani 1 1 d . . .
O16 O 0.4834(3) 0.7285(8) 0.89488(16) 0.069(2) Uani 1 1 d . . .
O17 O 0.4594(4) 0.8541(9) 0.92937(19) 0.092(3) Uani 1 1 d . . .
C1 C -0.1074(6) 1.8935(13) 0.7049(3) 0.075(4) Uani 1 1 d . . .
H1A H -0.1321 1.8824 0.6886 0.090 Uiso 1 1 calc R . .
C3 C -0.2172(6) 0.6360(14) 0.8236(3) 0.090(4) Uani 1 1 d . . .
H3A H -0.2207 0.5522 0.8127 0.109 Uiso 1 1 calc R . .
C9 C -0.2140(4) 0.2388(11) 0.8947(2) 0.063(3) Uani 1 1 d . . .
H9A H -0.2264 0.3155 0.8829 0.076 Uiso 1 1 calc R . .
C20 C 0.3957(5) 1.1669(11) 0.8560(2) 0.058(3) Uani 1 1 d . . .
C21 C 0.3944(5) 0.6488(13) 0.9153(3) 0.069(3) Uani 1 1 d . . .
C23 C 0.2021(5) 1.2294(13) 0.8363(3) 0.064(3) Uani 1 1 d . . .
C25 C -0.1516(4) 0.2135(10) 0.9025(2) 0.051(3) Uani 1 1 d . . .
H25A H -0.1223 0.2749 0.8961 0.062 Uiso 1 1 calc R . .
C26 C -0.2599(5) 0.6674(11) 0.8417(2) 0.063(3) Uani 1 1 d . . .
C32 C 0.2986(5) 0.4526(12) 0.9222(2) 0.057(3) Uani 1 1 d . . .
C33 C -0.0655(4) 0.0715(12) 0.9275(2) 0.057(3) Uani 1 1 d . . .
C34 C 0.4647(5) 1.1551(13) 0.8640(3) 0.061(3) Uani 1 1 d . . .
C35 C 0.2279(4) 0.0925(11) 0.9370(2) 0.062(3) Uani 1 1 d . . .
H35A H 0.2409 -0.0055 0.9386 0.074 Uiso 1 1 calc R . .
C36 C 0.0619(4) 0.0301(11) 0.9408(2) 0.053(3) Uani 1 1 d . . .
C37 C 0.3895(5) 0.5222(13) 0.9008(2) 0.071(4) Uani 1 1 d . . .
H37A H 0.4166 0.5006 0.8882 0.086 Uiso 1 1 calc R . .
C38 C 0.1494(4) 0.2750(11) 0.9368(2) 0.056(3) Uani 1 1 d . . .
H38A H 0.1090 0.3036 0.9385 0.067 Uiso 1 1 calc R . .
C40 C -0.2102(5) 0.8917(11) 0.8547(2) 0.066(3) Uani 1 1 d . . .
H40A H -0.2079 0.9758 0.8655 0.079 Uiso 1 1 calc R . .
C41 C 0.2674(4) 1.2045(12) 0.8429(2) 0.057(3) Uani 1 1 d . . .
C43 C -0.0088(5) 1.4354(13) 0.8018(2) 0.069(3) Uani 1 1 d . . .
C44 C -0.1323(4) 0.0971(10) 0.9197(2) 0.050(3) Uani 1 1 d . . .
C45 C -0.0922(5) 1.2394(12) 0.8298(2) 0.056(3) Uani 1 1 d . . .
H45A H -0.1030 1.3388 0.8303 0.067 Uiso 1 1 calc R . .
C46 C 0.1327(5) -0.2398(12) 0.9627(2) 0.062(3) Uani 1 1 d . . .
H46A H 0.1021 -0.2624 0.9488 0.074 Uiso 1 1 calc R . .
C47 C -0.2399(4) 0.0328(11) 0.9217(2) 0.057(3) Uani 1 1 d . . .
H47A H -0.2691 -0.0285 0.9282 0.068 Uiso 1 1 calc R . .
C48 C -0.1671(5) 0.8713(13) 0.8365(2) 0.065(3) Uani 1 1 d . . .
C51 C -0.1779(5) 0.0065(12) 0.9292(2) 0.059(3) Uani 1 1 d . . .
H51A H -0.1661 -0.0720 0.9407 0.071 Uiso 1 1 calc R . .
C52 C -0.1682(5) 0.7385(17) 0.8227(3) 0.096(5) Uani 1 1 d . . .
H52A H -0.1361 0.7160 0.8126 0.115 Uiso 1 1 calc R . .
C54 C -0.0325(4) 1.2007(12) 0.8248(2) 0.057(3) Uani 1 1 d . . .
C55 C 0.0740(5) 1.2855(12) 0.8250(3) 0.072(4) Uani 1 1 d . . .
C56 C 0.1665(5) 0.1241(11) 0.9412(2) 0.054(3) Uani 1 1 d . . .
C57 C -0.0242(4) 0.0873(12) 0.9079(2) 0.064(3) Uani 1 1 d . . .
H57A H -0.0387 0.1108 0.8902 0.077 Uiso 1 1 calc R . .
C58 C 0.3433(5) 0.4281(14) 0.9053(2) 0.074(4) Uani 1 1 d . . .
H58A H 0.3415 0.3386 0.8960 0.089 Uiso 1 1 calc R . .
C59 C -0.0157(5) 1.0535(13) 0.8261(3) 0.071(4) Uani 1 1 d . . .
H59A H 0.0247 1.0264 0.8241 0.085 Uiso 1 1 calc R . .
C60 C 0.3616(6) -0.7478(13) 1.0602(3) 0.074(4) Uani 1 1 d . . .
C61 C 0.3118(5) 1.2939(14) 0.8310(2) 0.075(4) Uani 1 1 d . . .
H61A H 0.2977 1.3684 0.8190 0.090 Uiso 1 1 calc R . .
C62 C -0.2554(5) 0.7919(11) 0.8569(2) 0.063(3) Uani 1 1 d . . .
H62A H -0.2838 0.8088 0.8691 0.076 Uiso 1 1 calc R . .
C63 C 0.1937(5) -0.0615(12) 0.9888(3) 0.077(4) Uani 1 1 d . . .
H63A H 0.2040 0.0366 0.9927 0.093 Uiso 1 1 calc R . .
C64 C 0.0202(4) 0.0055(12) 0.9602(2) 0.066(3) Uani 1 1 d . . .
H64A H 0.0348 -0.0235 0.9776 0.079 Uiso 1 1 calc R . .
C65 C -0.1341(5) 1.1357(13) 0.8339(2) 0.068(3) Uani 1 1 d . . .
H65A H -0.1742 1.1634 0.8363 0.082 Uiso 1 1 calc R . .
C66 C 0.1908(5) 0.3790(11) 0.9301(2) 0.061(3) Uani 1 1 d . . .
H66A H 0.1776 0.4761 0.9271 0.073 Uiso 1 1 calc R . .
C67 C -0.3138(5) 0.5585(13) 0.8417(3) 0.067(3) Uani 1 1 d . . .
C68 C -0.0430(5) 0.0254(13) 0.9528(2) 0.069(3) Uani 1 1 d . . .
H68A H -0.0704 0.0068 0.9653 0.083 Uiso 1 1 calc R . .
C69 C -0.0829(5) 2.0203(12) 0.7101(2) 0.059(3) Uani 1 1 d . . .
C71 C 0.1593(5) -0.3508(12) 0.9789(2) 0.069(3) Uani 1 1 d . . .
H71A H 0.1476 -0.4483 0.9753 0.083 Uiso 1 1 calc R . .
C72 C 0.2920(5) 1.0959(11) 0.8604(2) 0.064(3) Uani 1 1 d . . .
H72A H 0.2649 1.0331 0.8679 0.077 Uiso 1 1 calc R . .
C73 C 0.0991(4) 1.2538(12) 0.8508(2) 0.068(4) Uani 1 1 d . . .
H73A H 0.0737 1.2518 0.8645 0.082 Uiso 1 1 calc R . .
C74 C 0.0392(5) 0.0667(12) 0.9158(2) 0.059(3) Uani 1 1 d . . .
H74A H 0.0665 0.0792 0.9030 0.071 Uiso 1 1 calc R . .
C75 C -0.0586(5) 0.9462(12) 0.8304(2) 0.065(3) Uani 1 1 d . . .
H75A H -0.0473 0.8469 0.8306 0.078 Uiso 1 1 calc R . .
C76 C 0.0222(5) 1.5651(12) 0.8036(2) 0.063(3) Uani 1 1 d . . .
H76A H 0.0562 1.5773 0.8165 0.076 Uiso 1 1 calc R . .
C77 C -0.3280(5) 0.1719(13) 0.8972(2) 0.054(3) Uani 1 1 d . . .
C78 C 0.1511(5) -0.0971(12) 0.9670(2) 0.062(3) Uani 1 1 d . . .
C79 C 0.2028(5) -0.3212(11) 1.0003(2) 0.056(3) Uani 1 1 d . . .
C80 C 0.2582(6) -0.4209(12) 1.0430(2) 0.074(4) Uani 1 1 d . . .
H80A H 0.2455 -0.3370 1.0516 0.089 Uiso 1 1 calc R . .
C82 C 0.3508(5) 0.6885(12) 0.9321(2) 0.066(3) Uani 1 1 d . . .
H82A H 0.3526 0.7800 0.9407 0.079 Uiso 1 1 calc R . .
C84 C -0.0459(5) 1.6648(11) 0.7664(2) 0.053(3) Uani 1 1 d . . .
C85 C 0.2697(4) 0.1953(13) 0.9307(2) 0.061(3) Uani 1 1 d . . .
H85A H 0.3097 0.1663 0.9285 0.073 Uiso 1 1 calc R . .
C86 C -0.2592(4) 0.1461(10) 0.9050(2) 0.043(3) Uani 1 1 d . . .
C87 C 0.4497(5) 0.7529(12) 0.9130(2) 0.055(3) Uani 1 1 d . . .
C88 C 0.2531(5) 0.3425(12) 0.9277(2) 0.053(3) Uani 1 1 d . . .
C89 C 0.3553(5) 1.0750(11) 0.8673(2) 0.060(3) Uani 1 1 d . . .
H89A H 0.3698 1.0007 0.8793 0.071 Uiso 1 1 calc R . .
C90 C 0.1777(5) 1.2604(14) 0.8118(3) 0.087(4) Uani 1 1 d . . .
H90A H 0.2036 1.2624 0.7982 0.105 Uiso 1 1 calc R . .
C91 C 0.2925(5) -0.6692(12) 1.0192(3) 0.075(4) Uani 1 1 d . . .
H91A H 0.3019 -0.7579 1.0111 0.090 Uiso 1 1 calc R . .
C92 C 0.1622(4) 1.2244(11) 0.8569(2) 0.055(3) Uani 1 1 d U . .
H92A H 0.1780 1.2015 0.8745 0.066 Uiso 1 1 calc R . .
C93 C 0.3165(5) -0.6434(12) 1.0457(2) 0.059(3) Uani 1 1 d . . .
C94 C 0.2549(5) -0.5678(13) 1.0042(3) 0.077(4) Uani 1 1 d . . .
H94A H 0.2414 -0.5858 0.9861 0.092 Uiso 1 1 calc R . .
C95 C 0.3748(5) 1.2722(12) 0.8369(2) 0.070(3) Uani 1 1 d . . .
H95A H 0.4026 1.3272 0.8282 0.084 Uiso 1 1 calc R . .
C96 C 0.1128(5) 1.2919(15) 0.8045(3) 0.088(4) Uani 1 1 d . . .
H96A H 0.0973 1.3154 0.7868 0.106 Uiso 1 1 calc R . .
C97 C 0.2382(6) -0.4427(13) 1.0163(3) 0.075(4) Uani 1 1 d . . .
C98 C -0.1176(5) 0.9850(11) 0.8345(2) 0.057(3) Uani 1 1 d . . .
C99 C -0.0578(6) 1.4184(15) 0.7813(3) 0.102(5) Uani 1 1 d . . .
H99A H -0.0790 1.3292 0.7789 0.122 Uiso 1 1 calc R . .
C100 C 0.3051(5) 0.5889(12) 0.9356(2) 0.066(3) Uani 1 1 d . . .
H10A H 0.2768 0.6131 0.9474 0.079 Uiso 1 1 calc R . .
C101 C -0.0739(6) 1.5389(14) 0.7646(3) 0.107(6) Uani 1 1 d . . .
H10B H -0.1070 1.5279 0.7513 0.129 Uiso 1 1 calc R . .
C102 C 0.2202(5) -0.1729(14) 1.0045(3) 0.078(4) Uani 1 1 d . . .
H10C H 0.2508 -0.1499 1.0184 0.093 Uiso 1 1 calc R . .
C103 C 0.0036(5) 1.6777(13) 0.7865(2) 0.067(3) Uani 1 1 d . . .
H10D H 0.0248 1.7670 0.7883 0.081 Uiso 1 1 calc R . .
C104 C 0.2971(6) -0.5221(13) 1.0574(2) 0.080(4) Uani 1 1 d . . .
H10E H 0.3099 -0.5048 1.0755 0.096 Uiso 1 1 calc R . .
C105 C -0.0895(6) 2.1417(14) 0.6901(3) 0.071(4) Uani 1 1 d . . .
C106 C -0.1003(6) 1.7766(12) 0.7210(3) 0.087(5) Uani 1 1 d . . .
H10F H -0.1206 1.6884 0.7162 0.105 Uiso 1 1 calc R . .
C107 C -0.0595(6) 1.7892(13) 0.7467(3) 0.085(4) Uani 1 1 d . . .
C108 C -0.0339(9) 1.9351(14) 0.7532(3) 0.152(9) Uani 1 1 d . . .
H10G H -0.0101 1.9543 0.7695 0.182 Uiso 1 1 calc R . .
C109 C -0.0468(9) 2.0438(15) 0.7339(3) 0.146(8) Uani 1 1 d . . .
H10H H -0.0302 2.1375 0.7373 0.175 Uiso 1 1 calc R . .


_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 O14 2.303(8) 1_445 ?
Eu1 O2 2.306(7) . ?
Eu1 O7 2.396(8) 2_436 ?
Eu1 O3 2.412(6) . ?
Eu1 O5 2.433(7) . ?
Eu1 O4 2.461(8) . ?
Eu1 O15 2.471(6) 2_436 ?
Eu1 O6 2.483(10) . ?
Eu1 C67 2.797(13) . ?
Eu1 C105 2.812(12) 2_436 ?
Eu2 O12 2.264(7) 3_657 ?
Eu2 O1 2.270(7) 3_547 ?
Eu2 O10 2.432(7) . ?
Eu2 O9 2.444(6) . ?
Eu2 O16 2.453(6) 3_657 ?
Eu2 O11 2.467(9) . ?
Eu2 O8 2.503(7) . ?
Eu2 O17 2.511(7) 3_657 ?
Eu2 C87 2.823(11) 3_657 ?
Eu2 C60 2.833(11) . ?
N1 C56 1.368(12) . ?
N1 C36 1.411(11) . ?
N1 C78 1.471(12) . ?
N2 C54 1.397(12) . ?
N2 C55 1.421(12) . ?
N2 C43 1.451(13) . ?
O1 C77 1.210(13) . ?
O1 Eu2 2.270(7) 3_547 ?
O2 C77 1.260(12) . ?
O3 C67 1.268(12) . ?
O4 C67 1.238(13) . ?
O7 C105 1.269(14) . ?
O7 Eu1 2.396(8) 2_476 ?
O8 C60 1.208(13) . ?
O10 C60 1.274(14) . ?
O12 C34 1.235(14) . ?
O12 Eu2 2.264(7) 3_657 ?
O14 C34 1.225(14) . ?
O14 Eu1 2.303(8) 1_665 ?
O15 C105 1.244(13) . ?
O15 Eu1 2.471(6) 2_476 ?
O16 C87 1.249(12) . ?
O16 Eu2 2.453(6) 3_657 ?
O17 C87 1.229(12) . ?
O17 Eu2 2.511(7) 3_657 ?
C1 C69 1.278(14) . ?
C1 C106 1.325(16) . ?
C3 C26 1.400(16) . ?
C3 C52 1.419(16) . ?
C9 C25 1.391(12) . ?
C9 C86 1.433(13) . ?
C20 C89 1.379(14) . ?
C20 C95 1.389(14) . ?
C20 C34 1.515(13) . ?
C21 C37 1.354(15) . ?
C21 C82 1.383(15) . ?
C21 C87 1.544(15) . ?
C23 C90 1.310(15) . ?
C23 C92 1.423(15) . ?
C23 C41 1.442(13) . ?
C25 C44 1.395(13) . ?
C26 C62 1.356(14) . ?
C26 C67 1.534(16) . ?
C32 C58 1.380(15) . ?
C32 C100 1.401(14) . ?
C32 C88 1.455(14) . ?
C33 C68 1.366(14) . ?
C33 C57 1.410(14) . ?
C33 C44 1.483(13) . ?
C35 C85 1.362(13) . ?
C35 C56 1.408(14) . ?
C36 C74 1.334(13) . ?
C36 C64 1.418(15) . ?
C37 C58 1.356(14) . ?
C38 C66 1.372(13) . ?
C38 C56 1.424(13) . ?
C40 C62 1.349(13) . ?
C40 C48 1.391(15) . ?
C41 C72 1.379(13) . ?
C41 C61 1.441(14) . ?
C43 C76 1.351(14) . ?
C43 C99 1.402(14) . ?
C44 C51 1.412(13) . ?
C45 C65 1.342(13) . ?
C45 C54 1.397(14) . ?
C46 C78 1.361(14) . ?
C46 C71 1.375(14) . ?
C47 C86 1.358(13) . ?
C47 C51 1.381(13) . ?
C48 C52 1.385(16) . ?
C48 C98 1.502(14) . ?
C54 C59 1.380(14) . ?
C55 C73 1.371(14) . ?
C55 C96 1.406(17) . ?
C57 C74 1.405(13) . ?
C59 C75 1.382(14) . ?
C60 C93 1.490(14) . ?
C61 C95 1.386(14) . ?
C63 C102 1.361(14) . ?
C63 C78 1.387(14) . ?
C64 C68 1.399(13) . ?
C65 C98 1.408(14) . ?
C66 C88 1.417(14) . ?
C69 C109 1.366(17) . ?
C69 C105 1.482(15) . ?
C71 C79 1.371(14) . ?
C72 C89 1.397(13) . ?
C73 C92 1.399(13) . ?
C75 C98 1.372(14) . ?
C76 C103 1.361(14) . ?
C77 C86 1.525(13) . ?
C79 C102 1.402(15) . ?
C79 C97 1.515(14) . ?
C80 C97 1.371(15) . ?
C80 C104 1.392(14) . ?
C82 C100 1.370(14) . ?
C84 C101 1.290(14) . ?
C84 C103 1.391(14) . ?
C84 C107 1.504(15) . ?
C85 C88 1.383(14) . ?
C87 Eu2 2.823(11) 3_657 ?
C90 C96 1.450(15) . ?
C91 C93 1.389(14) . ?
C91 C94 1.390(14) . ?
C93 C104 1.335(14) . ?
C94 C97 1.351(15) . ?
C99 C101 1.393(15) . ?
C105 Eu1 2.812(12) 2_476 ?
C106 C107 1.481(18) . ?
C107 C108 1.454(17) . ?
C108 C109 1.384(17) . ?

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
O14 Eu1 O2 104.9(3) 1_445 . ?
O14 Eu1 O7 82.9(3) 1_445 2_436 ?
O2 Eu1 O7 128.9(3) . 2_436 ?
O14 Eu1 O3 145.5(3) 1_445 . ?
O2 Eu1 O3 83.9(3) . . ?
O7 Eu1 O3 117.9(3) 2_436 . ?
O14 Eu1 O5 76.9(3) 1_445 . ?
O2 Eu1 O5 75.2(2) . . ?
O7 Eu1 O5 152.4(3) 2_436 . ?
O3 Eu1 O5 73.2(3) . . ?
O14 Eu1 O4 159.9(3) 1_445 . ?
O2 Eu1 O4 81.5(3) . . ?
O7 Eu1 O4 78.4(3) 2_436 . ?
O3 Eu1 O4 53.1(2) . . ?
O5 Eu1 O4 123.2(2) . . ?
O14 Eu1 O15 78.3(3) 1_445 2_436 ?
O2 Eu1 O15 78.8(3) . 2_436 ?
O7 Eu1 O15 52.9(2) 2_436 2_436 ?
O3 Eu1 O15 136.1(2) . 2_436 ?
O5 Eu1 O15 137.7(2) . 2_436 ?
O4 Eu1 O15 84.5(2) . 2_436 ?
O14 Eu1 O6 80.3(3) 1_445 . ?
O2 Eu1 O6 153.9(3) . . ?
O7 Eu1 O6 76.9(3) 2_436 . ?
O3 Eu1 O6 78.5(3) . . ?
O5 Eu1 O6 81.2(3) . . ?
O4 Eu1 O6 102.5(3) . . ?
O15 Eu1 O6 127.1(3) 2_436 . ?
O14 Eu1 C67 171.1(3) 1_445 . ?
O2 Eu1 C67 80.7(3) . . ?
O7 Eu1 C67 99.0(3) 2_436 . ?
O3 Eu1 C67 26.9(3) . . ?
O5 Eu1 C67 98.2(3) . . ?
O4 Eu1 C67 26.2(3) . . ?
O15 Eu1 C67 109.9(3) 2_436 . ?
O6 Eu1 C67 91.7(3) . . ?
O14 Eu1 C105 78.3(3) 1_445 2_436 ?
O2 Eu1 C105 104.1(3) . 2_436 ?
O7 Eu1 C105 26.7(3) 2_436 2_436 ?
O3 Eu1 C105 132.7(3) . 2_436 ?
O5 Eu1 C105 154.1(3) . 2_436 ?
O4 Eu1 C105 81.6(3) . 2_436 ?
O15 Eu1 C105 26.2(3) 2_436 2_436 ?
O6 Eu1 C105 102.0(4) . 2_436 ?
C67 Eu1 C105 107.3(3) . 2_436 ?
O12 Eu2 O1 97.7(3) 3_657 3_547 ?
O12 Eu2 O10 147.9(3) 3_657 . ?
O1 Eu2 O10 91.8(3) 3_547 . ?
O12 Eu2 O9 78.2(3) 3_657 . ?
O1 Eu2 O9 76.5(3) 3_547 . ?
O10 Eu2 O9 74.3(3) . . ?
O12 Eu2 O16 81.6(3) 3_657 3_657 ?
O1 Eu2 O16 153.2(3) 3_547 3_657 ?
O10 Eu2 O16 76.4(3) . 3_657 ?
O9 Eu2 O16 77.2(2) . 3_657 ?
O12 Eu2 O11 82.6(3) 3_657 . ?
O1 Eu2 O11 78.7(3) 3_547 . ?
O10 Eu2 O11 129.4(3) . . ?
O9 Eu2 O11 146.0(3) . . ?
O16 Eu2 O11 127.3(3) 3_657 . ?
O12 Eu2 O8 159.6(3) 3_657 . ?
O1 Eu2 O8 83.7(3) 3_547 . ?
O10 Eu2 O8 51.8(3) . . ?
O9 Eu2 O8 121.6(3) . . ?
O16 Eu2 O8 106.2(3) 3_657 . ?
O11 Eu2 O8 77.7(3) . . ?
O12 Eu2 O17 82.1(3) 3_657 3_657 ?
O1 Eu2 O17 154.7(3) 3_547 3_657 ?
O10 Eu2 O17 101.8(3) . 3_657 ?
O9 Eu2 O17 127.6(3) . 3_657 ?
O16 Eu2 O17 52.0(2) 3_657 3_657 ?
O11 Eu2 O17 76.2(3) . 3_657 ?
O8 Eu2 O17 88.1(3) . 3_657 ?
O12 Eu2 C87 81.0(3) 3_657 3_657 ?
O1 Eu2 C87 178.6(3) 3_547 3_657 ?
O10 Eu2 C87 89.1(3) . 3_657 ?
O9 Eu2 C87 102.7(3) . 3_657 ?
O16 Eu2 C87 26.2(3) 3_657 3_657 ?
O11 Eu2 C87 101.6(3) . 3_657 ?
O8 Eu2 C87 97.7(3) . 3_657 ?
O17 Eu2 C87 25.8(3) 3_657 3_657 ?
O12 Eu2 C60 174.0(4) 3_657 . ?
O1 Eu2 C60 86.1(3) 3_547 . ?
O10 Eu2 C60 26.6(3) . . ?
O9 Eu2 C60 98.2(4) . . ?
O16 Eu2 C60 93.0(3) 3_657 . ?
O11 Eu2 C60 102.8(4) . . ?
O8 Eu2 C60 25.2(3) . . ?
O17 Eu2 C60 96.6(4) 3_657 . ?
C87 Eu2 C60 95.2(3) 3_657 . ?
C56 N1 C36 122.1(8) . . ?
C56 N1 C78 117.3(7) . . ?
C36 N1 C78 120.0(8) . . ?
C54 N2 C55 120.2(8) . . ?
C54 N2 C43 122.3(8) . . ?
C55 N2 C43 116.4(8) . . ?
C77 O1 Eu2 166.6(8) . 3_547 ?
C77 O2 Eu1 139.1(6) . . ?
C67 O3 Eu1 93.7(7) . . ?
C67 O4 Eu1 92.2(7) . . ?
C105 O7 Eu1 95.2(7) . 2_476 ?
C60 O8 Eu2 92.9(7) . . ?
C60 O10 Eu2 94.5(6) . . ?
C34 O12 Eu2 155.2(8) . 3_657 ?
C34 O14 Eu1 157.4(8) . 1_665 ?
C105 O15 Eu1 92.4(7) . 2_476 ?
C87 O16 Eu2 93.6(7) . 3_657 ?
C87 O17 Eu2 91.4(7) . 3_657 ?
C69 C1 C106 125.1(12) . . ?
C26 C3 C52 116.6(11) . . ?
C25 C9 C86 119.6(10) . . ?
C89 C20 C95 121.3(9) . . ?
C89 C20 C34 120.8(11) . . ?
C95 C20 C34 117.8(12) . . ?
C37 C21 C82 121.7(10) . . ?
C37 C21 C87 119.3(11) . . ?
C82 C21 C87 118.9(11) . . ?
C90 C23 C92 117.9(10) . . ?
C90 C23 C41 122.2(11) . . ?
C92 C23 C41 119.9(10) . . ?
C9 C25 C44 120.9(10) . . ?
C62 C26 C3 121.4(11) . . ?
C62 C26 C67 122.5(10) . . ?
C3 C26 C67 116.0(10) . . ?
C58 C32 C100 113.3(10) . . ?
C58 C32 C88 123.4(11) . . ?
C100 C32 C88 123.1(10) . . ?
C68 C33 C57 118.9(9) . . ?
C68 C33 C44 121.8(10) . . ?
C57 C33 C44 119.3(10) . . ?
O14 C34 O12 124.6(10) . . ?
O14 C34 C20 118.4(12) . . ?
O12 C34 C20 117.0(12) . . ?
C85 C35 C56 124.6(10) . . ?
C74 C36 N1 120.9(10) . . ?
C74 C36 C64 118.7(8) . . ?
N1 C36 C64 120.4(10) . . ?
C21 C37 C58 117.2(11) . . ?
C66 C38 C56 121.7(9) . . ?
C62 C40 C48 121.3(10) . . ?
C72 C41 C61 115.4(9) . . ?
C72 C41 C23 123.9(10) . . ?
C61 C41 C23 120.7(9) . . ?
C76 C43 C99 118.5(10) . . ?
C76 C43 N2 122.7(9) . . ?
C99 C43 N2 118.6(10) . . ?
C25 C44 C51 118.1(9) . . ?
C25 C44 C33 119.8(9) . . ?
C51 C44 C33 122.1(9) . . ?
C65 C45 C54 121.2(10) . . ?
C78 C46 C71 120.1(10) . . ?
C86 C47 C51 121.4(9) . . ?
C52 C48 C40 117.8(11) . . ?
C52 C48 C98 122.0(11) . . ?
C40 C48 C98 119.9(10) . . ?
C47 C51 C44 121.0(9) . . ?
C48 C52 C3 121.3(11) . . ?
C59 C54 C45 118.7(10) . . ?
C59 C54 N2 120.7(10) . . ?
C45 C54 N2 120.5(10) . . ?
C73 C55 C96 119.2(10) . . ?
C73 C55 N2 120.9(11) . . ?
C96 C55 N2 119.9(11) . . ?
N1 C56 C35 123.2(9) . . ?
N1 C56 C38 122.7(9) . . ?
C35 C56 C38 114.2(9) . . ?
C74 C57 C33 118.5(10) . . ?
C37 C58 C32 126.2(12) . . ?
C54 C59 C75 120.2(10) . . ?
O8 C60 O10 120.5(10) . . ?
O8 C60 C93 122.5(12) . . ?
O10 C60 C93 116.7(11) . . ?
O8 C60 Eu2 61.9(6) . . ?
O10 C60 Eu2 58.8(5) . . ?
C93 C60 Eu2 175.5(10) . . ?
C95 C61 C41 122.0(9) . . ?
C40 C62 C26 121.0(11) . . ?
C102 C63 C78 118.8(11) . . ?
C68 C64 C36 119.3(10) . . ?
C45 C65 C98 120.1(10) . . ?
C38 C66 C88 121.7(10) . . ?
O4 C67 O3 120.8(11) . . ?
O4 C67 C26 123.6(10) . . ?
O3 C67 C26 115.6(10) . . ?
O4 C67 Eu1 61.6(6) . . ?
O3 C67 Eu1 59.4(6) . . ?
C26 C67 Eu1 172.9(9) . . ?
C33 C68 C64 121.5(10) . . ?
C1 C69 C109 120.1(11) . . ?
C1 C69 C105 121.5(12) . . ?
C109 C69 C105 118.3(12) . . ?
C79 C71 C46 121.7(11) . . ?
C41 C72 C89 123.7(10) . . ?
C55 C73 C92 121.4(11) . . ?
C36 C74 C57 122.9(10) . . ?
C98 C75 C59 120.5(10) . . ?
C43 C76 C103 119.7(10) . . ?
O1 C77 O2 126.2(10) . . ?
O1 C77 C86 118.6(10) . . ?
O2 C77 C86 115.2(11) . . ?
C46 C78 C63 120.2(9) . . ?
C46 C78 N1 119.6(10) . . ?
C63 C78 N1 120.2(10) . . ?
C71 C79 C102 116.9(10) . . ?
C71 C79 C97 122.3(10) . . ?
C102 C79 C97 120.1(10) . . ?
C97 C80 C104 121.1(11) . . ?
C100 C82 C21 117.9(10) . . ?
C101 C84 C103 116.5(10) . . ?
C101 C84 C107 123.9(11) . . ?
C103 C84 C107 119.3(10) . . ?
C35 C85 C88 120.5(10) . . ?
C47 C86 C9 119.1(8) . . ?
C47 C86 C77 119.9(9) . . ?
C9 C86 C77 121.0(9) . . ?
O17 C87 O16 123.0(10) . . ?
O17 C87 C21 118.6(11) . . ?
O16 C87 C21 118.4(11) . . ?
O17 C87 Eu2 62.8(6) . 3_657 ?
O16 C87 Eu2 60.2(5) . 3_657 ?
C21 C87 Eu2 177.9(8) . 3_657 ?
C85 C88 C66 117.2(10) . . ?
C85 C88 C32 120.2(9) . . ?
C66 C88 C32 122.6(10) . . ?
C20 C89 C72 118.5(9) . . ?
C23 C90 C96 123.9(12) . . ?
C93 C91 C94 122.5(11) . . ?
C73 C92 C23 120.3(9) . . ?
C104 C93 C91 117.0(10) . . ?
C104 C93 C60 122.2(11) . . ?
C91 C93 C60 120.9(11) . . ?
C97 C94 C91 118.9(11) . . ?
C61 C95 C20 118.8(11) . . ?
C55 C96 C90 117.3(12) . . ?
C94 C97 C80 118.9(11) . . ?
C94 C97 C79 121.2(11) . . ?
C80 C97 C79 119.6(11) . . ?
C75 C98 C65 119.1(9) . . ?
C75 C98 C48 121.9(10) . . ?
C65 C98 C48 118.6(10) . . ?
C101 C99 C43 118.1(12) . . ?
C82 C100 C32 123.5(10) . . ?
C84 C101 C99 124.2(12) . . ?
C63 C102 C79 122.2(11) . . ?
C76 C103 C84 122.8(10) . . ?
C93 C104 C80 121.2(11) . . ?
O15 C105 O7 119.3(11) . . ?
O15 C105 C69 119.6(12) . . ?
O7 C105 C69 121.0(12) . . ?
O15 C105 Eu1 61.4(6) . 2_476 ?
O7 C105 Eu1 58.1(6) . 2_476 ?
C69 C105 Eu1 173.9(8) . 2_476 ?
C1 C106 C107 118.8(10) . . ?
C108 C107 C106 116.2(11) . . ?
C108 C107 C84 119.3(12) . . ?
C106 C107 C84 124.5(11) . . ?
C109 C108 C107 116.4(12) . . ?
C69 C109 C108 123.3(13) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        22.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.292
_refine_diff_density_min         -1.674
_refine_diff_density_rms         0.112


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
1 0.500 -0.042 0.000 361.2 -7.0
2 0.767 0.463 0.233 2804.0 -17.8
3 0.250 -0.101 0.250 237.3 -1.4
4 1.000 -0.048 0.500 361.3 -6.9
5 0.750 0.073 0.750 237.3 -0.9
_platon_squeeze_details          
;

;
# start Validation Reply Form
_vrf_THETM01_I                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystal under investigation showed no significant intensity
above 0.95\A resolution.
;
_vrf_PLAT023_I                   
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..      22.00 Deg. 
RESPONSE:  The crystal under investigation showed no significant intensity
above 0.95\A resolution.
;
# end Validation Reply Form
_database_code_depnum_ccdc_archive 'CCDC 980459'
