#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/50/7035099.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7035099
loop_
_publ_author_name
'Xing, Shanghua'
'Zeng, Guang'
'Liu, Xiaomin'
'Yang, Fen'
'Hao, Zhiqiang'
'Gao, Wei'
'Yang, Yulin'
'Wang, Xiuru'
'Li, Guanghua'
'Shi, Zhan'
'Feng, Shouhua'
_publ_section_title
;
 Multifunctional luminescence properties of co-doped lanthanide metal
 organic frameworks.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9588
_journal_page_last               9595
_journal_paper_doi               10.1039/c5dt00249d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C81 H99 Eu3 N7 O42 Tb'
_chemical_formula_sum            'C81 H99 Eu3 N7 O42 Tb'
_chemical_formula_weight         2457.47
_chemical_melting_point          ?
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-25 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                75.71(3)
_cell_angle_beta                 79.28(3)
_cell_angle_gamma                85.59(3)
_cell_formula_units_Z            2
_cell_length_a                   13.013(3)
_cell_length_b                   13.846(3)
_cell_length_c                   28.029(6)
_cell_measurement_reflns_used    16888
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.52
_cell_volume                     4806(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            27329
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.52
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.750
_exptl_absorpt_correction_T_max  0.5550
_exptl_absorpt_correction_T_min  0.4814
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.112
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1075
_refine_ls_number_reflns         16888
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0634P)²+1.8531P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1128
_refine_ls_wR_factor_ref         0.1205
_reflns_number_gt                13306
_reflns_number_total             16888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00249d2.cif
_cod_data_source_block           trf
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035097--7035102.cif.
;
_cod_original_cell_volume        4806.1(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035099
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Eu1 Eu -0.11955(2) 2.02113(2) -0.445875(10) 0.02032(9) Uani 0.75 1 d PD
Eu2 Eu -0.52842(3) 1.53808(2) -0.584871(11) 0.02269(9) Uani 0.75 1 d PD
Eu3 Eu 0.03064(2) 1.87534(2) -0.939400(10) 0.01987(9) Uani 0.75 1 d PD
Eu4 Eu -0.48279(3) 1.48092(2) -0.085903(11) 0.02153(9) Uani 0.75 1 d PD
Tb1 Tb -0.11955(2) 2.02113(2) -0.445875(10) 0.02032(9) Uani 0.25 1 d P
Tb2 Tb -0.52842(3) 1.53808(2) -0.584871(11) 0.02269(9) Uani 0.25 1 d P
Tb3 Tb 0.03064(2) 1.87534(2) -0.939400(10) 0.01987(9) Uani 0.25 1 d P
Tb4 Tb -0.48279(3) 1.48092(2) -0.085903(11) 0.02153(9) Uani 0.25 1 d P
O1 O -0.0553(4) 1.9321(3) -0.52760(16) 0.0317(11) Uani 1 1 d .
O2 O -0.2011(4) 1.8989(3) -0.47385(17) 0.0346(11) Uani 1 1 d .
O3 O -0.4000(4) 1.5671(4) -0.54318(19) 0.0445(13) Uani 1 1 d .
O4 O -0.3754(4) 1.5906(3) -0.47102(17) 0.0390(12) Uani 1 1 d .
O5 O 0.0447(4) 1.8889(4) -0.85517(18) 0.0502(15) Uani 1 1 d .
O6 O -0.0695(5) 1.7859(4) -0.85899(16) 0.0420(13) Uani 1 1 d .
O7 O -0.3602(4) 1.5170(3) -0.64190(17) 0.0357(12) Uani 1 1 d .
O8 O -0.4043(4) 1.3919(3) -0.57651(17) 0.0318(11) Uani 1 1 d .
O9 O -0.1312(4) 1.1353(3) -0.52387(16) 0.0346(12) Uani 1 1 d .
O10 O 0.0188(4) 1.1269(3) -0.57781(16) 0.0319(11) Uani 1 1 d .
O11 O 0.2594(4) 1.6596(4) -0.8528(2) 0.0487(14) Uani 1 1 d .
O12 O 0.3246(4) 1.5082(3) -0.85869(18) 0.0419(13) Uani 1 1 d .
O13 O -0.1108(4) 1.9842(3) -0.92247(17) 0.0364(12) Uani 1 1 d .
O14 O -0.1236(4) 2.1275(3) -0.97834(16) 0.0321(11) Uani 1 1 d .
O15 O -0.4960(4) 2.3508(3) -0.86176(17) 0.0419(13) Uani 1 1 d .
O16 O -0.3871(4) 2.3867(3) -0.93314(15) 0.0302(11) Uani 1 1 d .
O17 O -0.5092(4) 1.6945(3) -0.63686(18) 0.0424(13) Uani 1 1 d .
O18 O -0.5567(6) 1.8150(4) -0.5969(2) 0.070(2) Uani 1 1 d .
O19 O -0.4018(4) 1.5720(3) -0.04495(18) 0.0385(12) Uani 1 1 d .
O20 O -0.3887(4) 1.6071(4) 0.02570(17) 0.0388(12) Uani 1 1 d .
O21 O -0.0984(4) 1.9676(3) -0.03301(17) 0.0364(12) Uani 1 1 d .
O22 O -0.1074(4) 1.8269(3) 0.02565(17) 0.0368(12) Uani 1 1 d .
O23 O -0.2204(4) 1.9355(5) -0.36426(18) 0.0557(16) Uani 1 1 d .
O24 O -0.0871(5) 2.0179(4) -0.36136(16) 0.0433(14) Uani 1 1 d .
O25 O -0.3081(5) 2.0606(5) -0.4442(3) 0.0685(18) Uani 1 1 d D
O26 O -0.1436(6) 2.1884(4) -0.4314(2) 0.0612(18) Uani 1 1 d D
O27 O -0.5710(5) 1.4627(5) -0.6446(2) 0.0641(18) Uani 1 1 d .
O28 O -0.6104(5) 1.6435(4) -0.52769(18) 0.0456(14) Uani 1 1 d D
O29 O -0.7136(4) 1.5816(4) -0.5930(2) 0.0450(13) Uani 1 1 d D
O30 O 0.0580(5) 1.6993(4) -0.9361(2) 0.0527(15) Uani 1 1 d .
O31 O 0.2124(4) 1.8326(4) -0.9258(2) 0.0513(14) Uani 1 1 d D
O32 O -0.6229(6) 1.4762(5) -0.1331(2) 0.077(2) Uani 1 1 d D
O33 O -0.4632(4) 1.3217(4) -0.1102(2) 0.0486(14) Uani 1 1 d D
O34 O -0.3825(4) 1.3621(3) -0.02946(17) 0.0384(12) Uani 1 1 d D
C1 C -0.1755(5) 1.8228(5) -0.5424(2) 0.0249(14) Uani 1 1 d .
C2 C -0.2492(5) 1.7522(4) -0.5183(2) 0.0242(14) Uani 1 1 d .
H2 H -0.2748 1.7443 -0.4843 0.029 Uiso 1 1 calc R
C3 C -0.2852(5) 1.6931(4) -0.5447(2) 0.0228(13) Uani 1 1 d .
C4 C -0.2470(6) 1.7052(5) -0.5954(2) 0.0286(15) Uani 1 1 d .
H4 H -0.2721 1.6661 -0.6131 0.034 Uiso 1 1 calc R
C5 C -0.1706(5) 1.7764(5) -0.6207(2) 0.0267(15) Uani 1 1 d .
C6 C -0.1349(5) 1.8334(5) -0.5931(2) 0.0271(15) Uani 1 1 d .
H6 H -0.0833 1.8793 -0.6085 0.033 Uiso 1 1 calc R
C7 C -0.1328(6) 1.7884(5) -0.6756(2) 0.0305(16) Uani 1 1 d .
C8 C -0.0380(7) 1.8321(7) -0.6983(3) 0.058(3) Uani 1 1 d .
H8 H 0.0031 1.8534 -0.6793 0.070 Uiso 1 1 calc R
C9 C -0.0047(7) 1.8440(7) -0.7494(3) 0.055(2) Uani 1 1 d .
H9 H 0.0592 1.8729 -0.7641 0.066 Uiso 1 1 calc R
C10 C -0.0633(6) 1.8145(5) -0.7787(2) 0.0302(15) Uani 1 1 d .
C11 C -0.1529(7) 1.7640(6) -0.7555(3) 0.046(2) Uani 1 1 d .
H11 H -0.1913 1.7383 -0.7742 0.055 Uiso 1 1 calc R
C12 C -0.1860(6) 1.7512(6) -0.7046(3) 0.048(2) Uani 1 1 d .
H12 H -0.2464 1.7163 -0.6895 0.057 Uiso 1 1 calc R
C13 C -0.1408(5) 1.8883(5) -0.5133(2) 0.0274(15) Uani 1 1 d .
C14 C -0.3605(5) 1.6118(4) -0.5177(3) 0.0286(15) Uani 1 1 d .
C15 C -0.0268(6) 1.8309(5) -0.8344(2) 0.0326(16) Uani 1 1 d .
C16 C -0.2338(5) 1.3838(5) -0.6252(2) 0.0273(15) Uani 1 1 d .
C17 C -0.2044(5) 1.2999(5) -0.5918(2) 0.0284(15) Uani 1 1 d .
H17 H -0.2496 1.2740 -0.5622 0.034 Uiso 1 1 calc R
C18 C -0.1061(6) 1.2537(5) -0.6026(2) 0.0310(16) Uani 1 1 d .
C19 C -0.0391(6) 1.2938(5) -0.6464(2) 0.0319(16) Uani 1 1 d .
H19 H 0.0257 1.2624 -0.6535 0.038 Uiso 1 1 calc R
C20 C -0.0659(6) 1.3795(5) -0.6801(2) 0.0334(16) Uani 1 1 d .
C21 C -0.1641(6) 1.4233(5) -0.6687(2) 0.0351(17) Uani 1 1 d .
H21 H -0.1839 1.4807 -0.6907 0.042 Uiso 1 1 calc R
C22 C 0.0103(6) 1.4274(5) -0.7241(2) 0.0355(17) Uani 1 1 d .
C23 C 0.0168(7) 1.5297(6) -0.7400(3) 0.051(2) Uani 1 1 d .
H23 H -0.0321 1.5695 -0.7242 0.061 Uiso 1 1 calc R
C24 C 0.0936(7) 1.5755(6) -0.7785(3) 0.051(2) Uani 1 1 d .
H24 H 0.0963 1.6447 -0.7880 0.061 Uiso 1 1 calc R
C25 C 0.1665(6) 1.5168(5) -0.8028(3) 0.0389(18) Uani 1 1 d .
C26 C 0.1594(6) 1.4160(5) -0.7888(3) 0.0377(18) Uani 1 1 d .
H26 H 0.2071 1.3766 -0.8054 0.045 Uiso 1 1 calc R
C27 C 0.0818(6) 1.3707(5) -0.7500(3) 0.0416(19) Uani 1 1 d .
H27 H 0.0780 1.3016 -0.7414 0.050 Uiso 1 1 calc R
C28 C -0.3391(6) 1.4328(5) -0.6142(2) 0.0290(15) Uani 1 1 d .
C29 C -0.0705(6) 1.1644(5) -0.5646(2) 0.0287(15) Uani 1 1 d .
C30 C 0.2557(6) 1.5656(5) -0.8412(2) 0.0361(17) Uani 1 1 d .
C31 C -0.2390(5) 2.1030(4) -0.8998(2) 0.0271(15) Uani 1 1 d .
C32 C -0.2855(5) 2.1972(4) -0.9122(2) 0.0269(15) Uani 1 1 d .
H32 H -0.2618 2.2406 -0.9427 0.032 Uiso 1 1 calc R
C33 C -0.3675(5) 2.2265(5) -0.8789(2) 0.0273(15) Uani 1 1 d .
C34 C -0.4026(6) 2.1614(5) -0.8340(3) 0.0341(17) Uani 1 1 d .
H34 H -0.4583 2.1813 -0.8121 0.041 Uiso 1 1 calc R
C35 C -0.3573(6) 2.0670(5) -0.8206(2) 0.0310(16) Uani 1 1 d .
C36 C -0.2734(6) 2.0382(5) -0.8543(2) 0.0321(16) Uani 1 1 d .
H36 H -0.2409 1.9756 -0.8459 0.039 Uiso 1 1 calc R
C37 C -0.3991(6) 1.9955(5) -0.7725(2) 0.0325(16) Uani 1 1 d .
C38 C -0.4014(7) 1.8957(5) -0.7704(3) 0.042(2) Uani 1 1 d .
H38 H -0.3760 1.8726 -0.7989 0.051 Uiso 1 1 calc R
C39 C -0.4411(7) 1.8284(5) -0.7261(3) 0.042(2) Uani 1 1 d .
H39 H -0.4412 1.7609 -0.7255 0.051 Uiso 1 1 calc R
C40 C -0.4800(6) 1.8598(5) -0.6834(2) 0.0344(17) Uani 1 1 d .
C41 C -0.4800(7) 1.9599(5) -0.6847(3) 0.053(2) Uani 1 1 d .
H41 H -0.5073 1.9829 -0.6562 0.064 Uiso 1 1 calc R
C42 C -0.4385(8) 2.0269(5) -0.7291(3) 0.055(3) Uani 1 1 d .
H42 H -0.4373 2.0942 -0.7296 0.066 Uiso 1 1 calc R
C43 C -0.1518(5) 2.0683(4) -0.9364(2) 0.0247(14) Uani 1 1 d .
C44 C -0.4203(6) 2.3279(5) -0.8920(2) 0.0290(15) Uani 1 1 d .
C45 C -0.5196(6) 1.7848(5) -0.6351(3) 0.0393(19) Uani 1 1 d .
C46 C -0.3005(5) 1.7082(4) -0.0478(2) 0.0205(13) Uani 1 1 d .
C47 C -0.2471(5) 1.7529(4) -0.0207(2) 0.0240(14) Uani 1 1 d .
H47 H -0.2528 1.7283 0.0137 0.029 Uiso 1 1 calc R
C48 C -0.1853(5) 1.8344(4) -0.0449(2) 0.0253(14) Uani 1 1 d .
C49 C -0.1764(5) 1.8692(5) -0.0959(2) 0.0282(15) Uani 1 1 d .
H49 H -0.1371 1.9251 -0.1118 0.034 Uiso 1 1 calc R
C50 C -0.2246(5) 1.8229(5) -0.1242(2) 0.0281(15) Uani 1 1 d .
C51 C -0.2869(5) 1.7420(4) -0.1001(2) 0.0258(14) Uani 1 1 d .
H51 H -0.3197 1.7103 -0.1185 0.031 Uiso 1 1 calc R
C52 C -0.2090(6) 1.8583(5) -0.1796(2) 0.0327(16) Uani 1 1 d .
C53 C -0.2862(6) 1.8508(6) -0.2065(2) 0.0422(19) Uani 1 1 d .
H53 H -0.3498 1.8238 -0.1895 0.051 Uiso 1 1 calc R
C54 C -0.2710(6) 1.8823(6) -0.2581(3) 0.044(2) Uani 1 1 d .
H54 H -0.3239 1.8757 -0.2752 0.053 Uiso 1 1 calc R
C55 C -0.1779(6) 1.9235(5) -0.2844(2) 0.0314(16) Uani 1 1 d .
C56 C -0.1000(6) 1.9310(5) -0.2586(3) 0.0394(18) Uani 1 1 d .
H56 H -0.0365 1.9579 -0.2759 0.047 Uiso 1 1 calc R
C57 C -0.1152(6) 1.8988(6) -0.2068(2) 0.0414(19) Uani 1 1 d .
H57 H -0.0615 1.9044 -0.1900 0.050 Uiso 1 1 calc R
C58 C -0.3692(5) 1.6239(4) -0.0208(2) 0.0218(13) Uani 1 1 d .
C59 C -0.1269(5) 1.8800(5) -0.0149(2) 0.0266(15) Uani 1 1 d .
C60 C -0.1608(6) 1.9614(5) -0.3404(2) 0.0325(16) Uani 1 1 d .
N1 N -0.6224(11) 1.3740(10) -0.6915(5) 0.119(4) Uiso 1 1 d .
N2 N 0.1083(8) 1.5676(7) -0.9728(4) 0.085(3) Uiso 1 1 d .
C61 C -0.563(2) 1.4291(17) -0.6746(9) 0.206(10) Uiso 1 1 d .
H61 H -0.4980 1.4403 -0.6951 0.247 Uiso 1 1 calc R
C62 C -0.708(2) 1.3174(18) -0.6616(9) 0.249(13) Uiso 1 1 d .
H62A H -0.7374 1.2830 -0.6816 0.373 Uiso 1 1 calc R
H62B H -0.7611 1.3613 -0.6487 0.373 Uiso 1 1 calc R
H62C H -0.6849 1.2698 -0.6343 0.373 Uiso 1 1 calc R
C63 C -0.5706(18) 1.3525(15) -0.7414(8) 0.195(9) Uiso 1 1 d .
H63A H -0.6146 1.3111 -0.7513 0.293 Uiso 1 1 calc R
H63B H -0.5041 1.3187 -0.7380 0.293 Uiso 1 1 calc R
H63C H -0.5604 1.4141 -0.7663 0.293 Uiso 1 1 calc R
C64 C 0.0755(9) 1.6604(9) -0.9741(5) 0.081(3) Uiso 1 1 d .
H64 H 0.0642 1.7007 -1.0047 0.098 Uiso 1 1 calc R
C65 C 0.1390(11) 1.5332(10) -1.0197(5) 0.112(5) Uiso 1 1 d .
H65A H 0.1599 1.4639 -1.0119 0.168 Uiso 1 1 calc R
H65B H 0.1963 1.5713 -1.0405 0.168 Uiso 1 1 calc R
H65C H 0.0806 1.5422 -1.0370 0.168 Uiso 1 1 calc R
C66 C 0.1126(13) 1.5024(11) -0.9236(6) 0.133(6) Uiso 1 1 d .
H66A H 0.1366 1.4368 -0.9272 0.200 Uiso 1 1 calc R
H66B H 0.0440 1.4991 -0.9035 0.200 Uiso 1 1 calc R
H66C H 0.1599 1.5284 -0.9078 0.200 Uiso 1 1 calc R
O35 O 0.6025(5) 0.1540(5) -0.0042(2) 0.0645(17) Uiso 1 1 d .
N3 N 0.5449(6) 0.0185(5) 0.0562(3) 0.0511(17) Uiso 1 1 d .
C67 C 0.5402(9) 0.1128(8) 0.0337(4) 0.074(3) Uiso 1 1 d .
H67 H 0.4866 0.1523 0.0468 0.088 Uiso 1 1 calc R
C68 C 0.4660(12) -0.0189(10) 0.0994(5) 0.114(5) Uiso 1 1 d .
H68A H 0.4796 -0.0887 0.1124 0.172 Uiso 1 1 calc R
H68B H 0.3982 -0.0093 0.0898 0.172 Uiso 1 1 calc R
H68C H 0.4679 0.0165 0.1246 0.172 Uiso 1 1 calc R
C69 C 0.6257(10) -0.0479(9) 0.0428(5) 0.099(4) Uiso 1 1 d .
H69A H 0.6139 -0.1129 0.0646 0.149 Uiso 1 1 calc R
H69B H 0.6915 -0.0249 0.0457 0.149 Uiso 1 1 calc R
H69C H 0.6271 -0.0514 0.0089 0.149 Uiso 1 1 calc R
O36 O 0.2188(6) 0.7487(5) 0.3448(3) 0.0727(19) Uiso 1 1 d .
N4 N 0.2867(6) 0.7732(6) 0.2632(3) 0.062(2) Uiso 1 1 d .
C70 C 0.2414(9) 0.8034(8) 0.3025(4) 0.073(3) Uiso 1 1 d .
H70 H 0.2246 0.8711 0.2986 0.088 Uiso 1 1 calc R
C71 C 0.3055(10) 0.8431(9) 0.2145(4) 0.094(4) Uiso 1 1 d .
H71A H 0.3398 0.8086 0.1898 0.140 Uiso 1 1 calc R
H71B H 0.3492 0.8949 0.2158 0.140 Uiso 1 1 calc R
H71C H 0.2400 0.8719 0.2058 0.140 Uiso 1 1 calc R
C72 C 0.3216(10) 0.6691(8) 0.2685(4) 0.088(3) Uiso 1 1 d .
H72A H 0.3536 0.6585 0.2364 0.132 Uiso 1 1 calc R
H72B H 0.2626 0.6271 0.2818 0.132 Uiso 1 1 calc R
H72C H 0.3715 0.6532 0.2907 0.132 Uiso 1 1 calc R
O37 O 0.8660(6) 0.3873(5) 0.5106(3) 0.0724(19) Uiso 1 1 d .
N5 N 0.9855(6) 0.4534(5) 0.4437(3) 0.0522(18) Uiso 1 1 d .
C73 C 0.8909(8) 0.4499(7) 0.4714(4) 0.066(3) Uiso 1 1 d .
H73 H 0.8407 0.4976 0.4605 0.079 Uiso 1 1 calc R
C74 C 1.0062(10) 0.5340(9) 0.4001(4) 0.095(4) Uiso 1 1 d .
H74A H 1.0773 0.5281 0.3838 0.143 Uiso 1 1 calc R
H74B H 0.9953 0.5964 0.4098 0.143 Uiso 1 1 calc R
H74C H 0.9597 0.5315 0.3776 0.143 Uiso 1 1 calc R
C75 C 1.0631(10) 0.3827(8) 0.4572(4) 0.085(3) Uiso 1 1 d .
H75A H 1.1262 0.3972 0.4331 0.128 Uiso 1 1 calc R
H75B H 1.0407 0.3177 0.4582 0.128 Uiso 1 1 calc R
H75C H 1.0760 0.3843 0.4896 0.128 Uiso 1 1 calc R
O38 O 0.7075(14) 0.4163(13) 0.2111(6) 0.222(7) Uiso 1 1 d .
N6 N 0.810(3) 0.253(2) 0.2251(12) 0.326(15) Uiso 1 1 d D
C76 C 0.731(2) 0.311(2) 0.2452(12) 0.261(14) Uiso 1 1 d D
H76 H 0.6930 0.2887 0.2773 0.313 Uiso 1 1 calc R
C77 C 0.860(3) 0.297(3) 0.1769(12) 0.36(2) Uiso 1 1 d D
H77A H 0.9148 0.2527 0.1661 0.539 Uiso 1 1 calc R
H77B H 0.8891 0.3583 0.1771 0.539 Uiso 1 1 calc R
H77C H 0.8103 0.3101 0.1545 0.539 Uiso 1 1 calc R
C78 C 0.807(3) 0.171(2) 0.2677(12) 0.321(18) Uiso 1 1 d D
H78A H 0.8605 0.1219 0.2605 0.482 Uiso 1 1 calc R
H78B H 0.7398 0.1408 0.2755 0.482 Uiso 1 1 calc R
H78C H 0.8189 0.1938 0.2957 0.482 Uiso 1 1 calc R
O39 O 0.6075(17) 0.2054(15) 0.3353(8) 0.261(8) Uiso 1 1 d D
N7 N 0.559(3) 0.106(3) 0.4299(14) 0.50(3) Uiso 1 1 d D
C79 C 0.540(3) 0.178(3) 0.3842(12) 0.41(3) Uiso 1 1 d D
H79 H 0.4757 0.2116 0.3866 0.496 Uiso 1 1 calc R
C80 C 0.532(3) 0.144(2) 0.4734(12) 0.326(18) Uiso 1 1 d D
H80A H 0.4743 0.1908 0.4701 0.490 Uiso 1 1 calc R
H80B H 0.5915 0.1768 0.4775 0.490 Uiso 1 1 calc R
H80C H 0.5139 0.0901 0.5021 0.490 Uiso 1 1 calc R
C81 C 0.655(2) 0.054(2) 0.4139(10) 0.252(13) Uiso 1 1 d D
H81A H 0.6589 0.0509 0.3798 0.378 Uiso 1 1 calc R
H81B H 0.6566 -0.0121 0.4348 0.378 Uiso 1 1 calc R
H81C H 0.7136 0.0896 0.4165 0.378 Uiso 1 1 calc R
O1W O 0.6457(8) 0.5788(7) 0.2517(4) 0.119(3) Uiso 1 1 d .
O2W O 0.5927(8) 0.7207(7) 0.1687(4) 0.122(3) Uiso 1 1 d .
O3W O 0.7813(13) 0.6872(11) 0.1122(6) 0.217(6) Uiso 1 1 d .
H25A H -0.364(3) 2.013(6) -0.444(9) 0.326 Uiso 1 1 d D
H25B H -0.348(4) 2.124(7) -0.439(9) 0.326 Uiso 1 1 d D
H26A H -0.193(14) 2.213(4) -0.404(5) 0.326 Uiso 1 1 d D
H26B H -0.112(15) 2.253(3) -0.453(5) 0.326 Uiso 1 1 d D
H28A H -0.612(14) 1.620(7) -0.4908(11) 0.326 Uiso 1 1 d D
H28B H -0.682(7) 1.676(12) -0.531(5) 0.326 Uiso 1 1 d D
H29A H -0.742(4) 1.645(6) -0.613(7) 0.326 Uiso 1 1 d D
H29B H -0.772(4) 1.534(3) -0.587(8) 0.326 Uiso 1 1 d D
H31A H 0.277(3) 1.871(8) -0.944(6) 0.326 Uiso 1 1 d D
H31B H 0.242(4) 1.765(5) -0.910(7) 0.326 Uiso 1 1 d D
H32A H -0.6987(15) 1.483(16) -0.120(3) 0.326 Uiso 1 1 d D
H32B H -0.617(6) 1.437(13) -0.159(6) 0.326 Uiso 1 1 d D
H33A H -0.395(6) 1.282(8) -0.110(8) 0.326 Uiso 1 1 d D
H33B H -0.493(14) 1.312(6) -0.139(5) 0.326 Uiso 1 1 d D
H34A H -0.366(16) 1.367(9) 0.004(4) 0.326 Uiso 1 1 d D
H34B H -0.346(16) 1.297(9) -0.034(4) 0.326 Uiso 1 1 d D
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Eu1 O10 74.86(16) 2_594 2_584
O1 Eu1 O9 79.38(17) 2_594 1_565
O10 Eu1 O9 133.64(15) 2_584 1_565
O1 Eu1 O2 125.28(16) 2_594 .
O10 Eu1 O2 76.36(17) 2_584 .
O9 Eu1 O2 88.49(17) 1_565 .
O1 Eu1 O26 82.6(2) 2_594 .
O10 Eu1 O26 139.3(2) 2_584 .
O9 Eu1 O26 72.13(17) 1_565 .
O2 Eu1 O26 143.0(2) . .
O1 Eu1 O25 150.2(2) 2_594 .
O10 Eu1 O25 134.5(2) 2_584 .
O9 Eu1 O25 74.7(2) 1_565 .
O2 Eu1 O25 68.96(19) . .
O26 Eu1 O25 75.6(2) . .
O1 Eu1 O24 84.89(17) 2_594 .
O10 Eu1 O24 74.42(17) 2_584 .
O9 Eu1 O24 140.59(16) 1_565 .
O2 Eu1 O24 129.39(16) . .
O26 Eu1 O24 70.14(18) . .
O25 Eu1 O24 106.0(2) . .
O1 Eu1 O23 133.35(17) 2_594 .
O10 Eu1 O23 76.60(19) 2_584 .
O9 Eu1 O23 144.69(19) 1_565 .
O2 Eu1 O23 81.50(17) . .
O26 Eu1 O23 96.2(2) . .
O25 Eu1 O23 70.1(2) . .
O24 Eu1 O23 52.06(17) . .
O1 Eu1 C60 109.16(19) 2_594 .
O10 Eu1 C60 72.78(18) 2_584 .
O9 Eu1 C60 153.19(18) 1_565 .
O2 Eu1 C60 105.20(18) . .
O26 Eu1 C60 83.58(19) . .
O25 Eu1 C60 88.6(2) . .
O24 Eu1 C60 26.18(18) . .
O23 Eu1 C60 25.93(19) . .
O1 Eu1 O1 77.77(15) 2_594 .
O10 Eu1 O1 69.46(15) 2_584 .
O9 Eu1 O1 67.80(14) 1_565 .
O2 Eu1 O1 48.67(14) . .
O26 Eu1 O1 137.85(16) . .
O25 Eu1 O1 105.24(19) . .
O24 Eu1 O1 142.85(17) . .
O23 Eu1 O1 124.20(17) . .
C60 Eu1 O1 138.12(17) . .
O1 Eu1 C13 102.11(17) 2_594 .
O10 Eu1 C13 72.22(17) 2_584 .
O9 Eu1 C13 76.47(16) 1_565 .
O2 Eu1 C13 24.01(16) . .
O26 Eu1 C13 146.79(19) . .
O25 Eu1 C13 86.1(2) . .
O24 Eu1 C13 142.58(17) . .
O23 Eu1 C13 103.29(18) . .
C60 Eu1 C13 123.98(18) . .
O1 Eu1 C13 24.69(15) . .
O1 Eu1 Tb1 43.15(11) 2_594 2_594
O10 Eu1 Tb1 66.59(11) 2_584 2_594
O9 Eu1 Tb1 68.19(12) 1_565 2_594
O2 Eu1 Tb1 82.74(11) . 2_594
O26 Eu1 Tb1 116.39(16) . 2_594
O25 Eu1 Tb1 133.49(17) . 2_594
O24 Eu1 Tb1 120.40(14) . 2_594
O23 Eu1 Tb1 142.41(16) . 2_594
C60 Eu1 Tb1 135.39(15) . 2_594
O1 Eu1 Tb1 34.62(9) . 2_594
C13 Eu1 Tb1 59.07(13) . 2_594
O17 Eu2 O3 90.48(19) . .
O17 Eu2 O4 154.0(2) . 2_484
O3 Eu2 O4 104.88(18) . 2_484
O17 Eu2 O27 95.5(2) . .
O3 Eu2 O27 147.0(2) . .
O4 Eu2 O27 83.0(2) 2_484 .
O17 Eu2 O28 78.77(17) . .
O3 Eu2 O28 73.0(2) . .
O4 Eu2 O28 85.76(17) 2_484 .
O27 Eu2 O28 140.0(2) . .
O17 Eu2 O29 80.40(19) . .
O3 Eu2 O29 141.43(19) . .
O4 Eu2 O29 74.53(19) 2_484 .
O27 Eu2 O29 71.5(2) . .
O28 Eu2 O29 68.47(19) . .
O17 Eu2 O8 130.02(17) . .
O3 Eu2 O8 71.66(18) . .
O4 Eu2 O8 75.42(17) 2_484 .
O27 Eu2 O8 79.8(2) . .
O28 Eu2 O8 133.62(16) . .
O29 Eu2 O8 140.43(16) . .
O17 Eu2 O7 78.06(17) . .
O3 Eu2 O7 75.64(18) . .
O4 Eu2 O7 125.60(16) 2_484 .
O27 Eu2 O7 74.0(2) . .
O28 Eu2 O7 140.49(18) . .
O29 Eu2 O7 136.92(17) . .
O8 Eu2 O7 52.63(14) . .
O17 Eu2 C28 103.97(19) . .
O3 Eu2 C28 70.3(2) . .
O4 Eu2 C28 100.93(18) 2_484 .
O27 Eu2 C28 76.8(2) . .
O28 Eu2 C28 143.18(19) . .
O29 Eu2 C28 148.30(18) . .
O8 Eu2 C28 26.24(16) . .
O7 Eu2 C28 26.46(16) . .
O17 Eu2 C14 150.58(17) . 2_484
O3 Eu2 C14 89.50(18) . 2_484
O4 Eu2 C14 17.41(17) 2_484 2_484
O27 Eu2 C14 100.3(2) . 2_484
O28 Eu2 C14 73.12(16) . 2_484
O29 Eu2 C14 81.40(18) . 2_484
O8 Eu2 C14 77.50(15) . 2_484
O7 Eu2 C14 130.13(15) . 2_484
C28 Eu2 C14 103.68(17) . 2_484
O21 Eu3 O13 75.06(18) 2_594 .
O21 Eu3 O14 77.69(16) 2_594 2_593
O13 Eu3 O14 124.63(16) . 2_593
O21 Eu3 O22 121.85(17) 2_594 1_554
O13 Eu3 O22 75.09(18) . 1_554
O14 Eu3 O22 80.08(17) 2_593 1_554
O21 Eu3 O30 147.23(19) 2_594 .
O13 Eu3 O30 137.11(19) . .
O14 Eu3 O30 76.70(17) 2_593 .
O22 Eu3 O30 73.01(19) 1_554 .
O21 Eu3 O5 86.17(17) 2_594 .
O13 Eu3 O5 78.28(19) . .
O14 Eu3 O5 145.93(18) 2_593 .
O22 Eu3 O5 133.39(17) 1_554 .
O30 Eu3 O5 104.2(2) . .
O21 Eu3 O6 133.05(16) 2_594 .
O13 Eu3 O6 75.65(17) . .
O14 Eu3 O6 149.03(15) 2_593 .
O22 Eu3 O6 84.09(17) 1_554 .
O30 Eu3 O6 73.27(18) . .
O5 Eu3 O6 52.34(16) . .
O21 Eu3 O31 80.93(19) 2_594 .
O13 Eu3 O31 142.00(19) . .
O14 Eu3 O31 76.85(18) 2_593 .
O22 Eu3 O31 142.87(19) 1_554 .
O30 Eu3 O31 73.6(2) . .
O5 Eu3 O31 71.04(19) . .
O6 Eu3 O31 101.40(18) . .
O21 Eu3 C15 109.34(18) 2_594 .
O13 Eu3 C15 74.24(18) . .
O14 Eu3 C15 161.09(18) 2_593 .
O22 Eu3 C15 108.8(2) 1_554 .
O30 Eu3 C15 89.75(19) . .
O5 Eu3 C15 25.97(19) . .
O6 Eu3 C15 26.42(18) . .
O31 Eu3 C15 86.8(2) . .
O21 Eu3 C59 102.29(17) 2_594 1_554
O13 Eu3 C59 71.41(17) . 1_554
O14 Eu3 C59 68.67(17) 2_593 1_554
O22 Eu3 C59 20.16(15) 1_554 1_554
O30 Eu3 C59 87.03(19) . 1_554
O5 Eu3 C59 144.92(18) . 1_554
O6 Eu3 C59 102.10(17) . 1_554
O31 Eu3 C59 143.56(18) . 1_554
C15 Eu3 C59 124.46(19) . 1_554
O21 Eu3 Eu3 48.74(13) 2_594 2_593
O13 Eu3 Eu3 62.44(11) . 2_593
O14 Eu3 Eu3 63.25(11) 2_593 2_593
O22 Eu3 Eu3 73.25(11) 1_554 2_593
O30 Eu3 Eu3 130.96(14) . 2_593
O5 Eu3 Eu3 124.83(14) . 2_593
O6 Eu3 Eu3 136.00(14) . 2_593
O31 Eu3 Eu3 119.51(13) . 2_593
C15 Eu3 Eu3 134.73(14) . 2_593
C59 Eu3 Eu3 53.55(11) 1_554 2_593
O20 Eu4 O19 105.84(17) 2_485 .
O20 Eu4 O12 152.80(17) 2_485 2_584
O19 Eu4 O12 84.88(19) . 2_584
O20 Eu4 O33 80.36(18) 2_485 .
O19 Eu4 O33 140.24(19) . .
O12 Eu4 O33 75.86(18) 2_584 .
O20 Eu4 O15 126.03(18) 2_485 2_494
O19 Eu4 O15 80.06(18) . 2_494
O12 Eu4 O15 79.94(17) 2_584 2_494
O33 Eu4 O15 128.60(18) . 2_494
O20 Eu4 O32 77.0(2) 2_485 .
O19 Eu4 O32 147.0(2) . .
O12 Eu4 O32 107.8(2) 2_584 .
O33 Eu4 O32 72.7(2) . .
O15 Eu4 O32 72.7(2) 2_494 .
O20 Eu4 O34 76.43(18) 2_485 .
O19 Eu4 O34 72.45(17) . .
O12 Eu4 O34 83.45(18) 2_584 .
O33 Eu4 O34 71.07(18) . .
O15 Eu4 O34 148.95(19) 2_494 .
O32 Eu4 O34 137.86(18) . .
O20 Eu4 O16 76.69(16) 2_485 2_494
O19 Eu4 O16 74.39(17) . 2_494
O12 Eu4 O16 130.52(15) 2_584 2_494
O33 Eu4 O16 143.25(18) . 2_494
O15 Eu4 O16 52.79(14) 2_494 2_494
O32 Eu4 O16 74.4(2) . 2_494
O34 Eu4 O16 128.98(15) . 2_494
O20 Eu4 C44 101.48(19) 2_485 2_494
O19 Eu4 C44 76.24(19) . 2_494
O12 Eu4 C44 105.38(18) 2_584 2_494
O33 Eu4 C44 142.2(2) . 2_494
O15 Eu4 C44 26.27(17) 2_494 2_494
O32 Eu4 C44 71.1(2) . 2_494
O34 Eu4 C44 146.54(17) . 2_494
O16 Eu4 C44 26.53(16) 2_494 2_494
C13 O1 Tb1 167.6(5) . 2_594
C13 O1 Eu1 167.6(5) . 2_594
Tb1 O1 Eu1 0.00(2) 2_594 2_594
C13 O1 Eu1 85.5(4) . .
Tb1 O1 Eu1 102.23(15) 2_594 .
Eu1 O1 Eu1 102.23(15) 2_594 .
C13 O2 Eu1 104.9(4) . .
C14 O3 Eu2 154.7(5) . .
C14 O4 Tb2 128.7(4) . 2_484
C14 O4 Eu2 128.7(4) . 2_484
Tb2 O4 Eu2 0.00(2) 2_484 2_484
C15 O5 Eu3 93.8(4) . .
C15 O6 Eu3 92.7(4) . .
C28 O7 Eu2 92.4(4) . .
C28 O8 Eu2 93.6(4) . .
C29 O9 Tb1 136.0(4) . 1_545
C29 O9 Eu1 136.0(4) . 1_545
Tb1 O9 Eu1 0.000(17) 1_545 1_545
C29 O10 Tb1 139.1(4) . 2_584
C29 O10 Eu1 139.1(4) . 2_584
Tb1 O10 Eu1 0.000(18) 2_584 2_584
C30 O12 Tb4 138.8(5) . 2_584
C30 O12 Eu4 138.8(5) . 2_584
Tb4 O12 Eu4 0.00(2) 2_584 2_584
C43 O13 Eu3 145.4(4) . .
C43 O14 Tb3 139.7(4) . 2_593
C43 O14 Eu3 139.7(4) . 2_593
Tb3 O14 Eu3 0.000(17) 2_593 2_593
C44 O15 Tb4 93.5(4) . 2_494
C44 O15 Eu4 93.5(4) . 2_494
Tb4 O15 Eu4 0.00(2) 2_494 2_494
C44 O16 Tb4 91.7(4) . 2_494
C44 O16 Eu4 91.7(4) . 2_494
Tb4 O16 Eu4 0.000(16) 2_494 2_494
C45 O17 Eu2 140.2(4) . .
C58 O19 Eu4 173.1(5) . .
C58 O20 Tb4 133.4(4) . 2_485
C58 O20 Eu4 133.4(4) . 2_485
Tb4 O20 Eu4 0.000(13) 2_485 2_485
C59 O21 Tb3 173.2(5) . 2_594
C59 O21 Eu3 173.2(5) . 2_594
Tb3 O21 Eu3 0.000(17) 2_594 2_594
C59 O22 Tb3 118.2(4) . 1_556
C59 O22 Eu3 118.2(4) . 1_556
Tb3 O22 Eu3 0.000(14) 1_556 1_556
C60 O23 Eu1 92.8(4) . .
C60 O24 Eu1 92.9(4) . .
Eu1 O25 H25A 127(2) . .
Eu1 O25 H25B 128(2) . .
H25A O25 H25B 104.1(19) . .
Eu1 O26 H26A 129(2) . .
Eu1 O26 H26B 129(2) . .
H26A O26 H26B 101.6(18) . .
C61 O27 Eu2 160.9(17) . .
Eu2 O28 H28A 121(2) . .
Eu2 O28 H28B 120(2) . .
H28A O28 H28B 105(3) . .
Eu2 O29 H29A 127(2) . .
Eu2 O29 H29B 127(2) . .
H29A O29 H29B 103(2) . .
C64 O30 Eu3 125.4(6) . .
Eu3 O31 H31A 127(2) . .
Eu3 O31 H31B 128(2) . .
H31A O31 H31B 103(2) . .
Eu4 O32 H32A 124(2) . .
Eu4 O32 H32B 123(2) . .
H32A O32 H32B 107(3) . .
Eu4 O33 H33A 121(2) . .
Eu4 O33 H33B 122(2) . .
H33A O33 H33B 106(3) . .
Eu4 O34 H34A 128.6(19) . .
Eu4 O34 H34B 128.0(19) . .
H34A O34 H34B 103.4(17) . .
C2 C1 C6 120.3(6) . .
C2 C1 C13 118.9(6) . .
C6 C1 C13 120.8(6) . .
C1 C2 C3 120.1(6) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C2 C3 C4 119.8(6) . .
C2 C3 C14 120.0(6) . .
C4 C3 C14 120.1(6) . .
C3 C4 C5 121.1(6) . .
C3 C4 H4 119.5 . .
C5 C4 H4 119.5 . .
C6 C5 C4 117.8(6) . .
C6 C5 C7 122.8(6) . .
C4 C5 C7 119.4(5) . .
C5 C6 C1 121.0(6) . .
C5 C6 H6 119.5 . .
C1 C6 H6 119.5 . .
C12 C7 C8 117.5(6) . .
C12 C7 C5 121.8(6) . .
C8 C7 C5 120.5(6) . .
C7 C8 C9 119.9(7) . .
C7 C8 H8 120.1 . .
C9 C8 H8 120.1 . .
C10 C9 C8 121.8(7) . .
C10 C9 H9 119.1 . .
C8 C9 H9 119.1 . .
C9 C10 C11 118.1(6) . .
C9 C10 C15 120.8(7) . .
C11 C10 C15 121.0(6) . .
C10 C11 C12 120.1(7) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C7 C12 C11 122.2(7) . .
C7 C12 H12 118.9 . .
C11 C12 H12 118.9 . .
O1 C13 O2 120.8(6) . .
O1 C13 C1 121.6(6) . .
O2 C13 C1 117.6(6) . .
O1 C13 Eu1 69.8(3) . .
O2 C13 Eu1 51.1(3) . .
C1 C13 Eu1 167.9(5) . .
O3 C14 O4 124.3(6) . .
O3 C14 C3 118.3(6) . .
O4 C14 C3 117.3(6) . .
O3 C14 Eu2 90.4(4) . 2_484
O4 C14 Eu2 33.9(3) . 2_484
C3 C14 Eu2 150.8(4) . 2_484
O5 C15 O6 120.9(6) . .
O5 C15 C10 119.3(6) . .
O6 C15 C10 119.7(6) . .
O5 C15 Eu3 60.2(4) . .
O6 C15 Eu3 60.9(3) . .
C10 C15 Eu3 175.4(5) . .
C17 C16 C21 119.6(6) . .
C17 C16 C28 119.9(6) . .
C21 C16 C28 120.5(6) . .
C16 C17 C18 119.6(6) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C19 C18 C17 119.6(6) . .
C19 C18 C29 120.4(6) . .
C17 C18 C29 119.9(6) . .
C18 C19 C20 121.9(6) . .
C18 C19 H19 119.0 . .
C20 C19 H19 119.0 . .
C21 C20 C19 117.4(6) . .
C21 C20 C22 121.0(6) . .
C19 C20 C22 121.4(6) . .
C20 C21 C16 121.9(6) . .
C20 C21 H21 119.0 . .
C16 C21 H21 119.0 . .
C23 C22 C27 117.0(6) . .
C23 C22 C20 121.8(6) . .
C27 C22 C20 121.1(6) . .
C22 C23 C24 122.5(7) . .
C22 C23 H23 118.8 . .
C24 C23 H23 118.8 . .
C23 C24 C25 119.3(7) . .
C23 C24 H24 120.4 . .
C25 C24 H24 120.4 . .
C26 C25 C24 119.1(7) . .
C26 C25 C30 121.4(6) . .
C24 C25 C30 119.4(7) . .
C25 C26 C27 121.2(7) . .
C25 C26 H26 119.4 . .
C27 C26 H26 119.4 . .
C22 C27 C26 120.9(7) . .
C22 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
O8 C28 O7 121.1(6) . .
O8 C28 C16 119.6(6) . .
O7 C28 C16 119.3(6) . .
O8 C28 Eu2 60.2(3) . .
O7 C28 Eu2 61.1(3) . .
C16 C28 Eu2 172.5(5) . .
O9 C29 O10 126.5(6) . .
O9 C29 C18 118.0(6) . .
O10 C29 C18 115.5(6) . .
O11 C30 O12 124.1(6) . .
O11 C30 C25 119.2(6) . .
O12 C30 C25 116.6(6) . .
C36 C31 C32 120.3(6) . .
C36 C31 C43 119.0(6) . .
C32 C31 C43 120.6(5) . .
C31 C32 C33 119.9(6) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C34 C33 C32 119.6(6) . .
C34 C33 C44 119.7(6) . .
C32 C33 C44 120.7(6) . .
C33 C34 C35 121.8(6) . .
C33 C34 H34 119.1 . .
C35 C34 H34 119.1 . .
C34 C35 C36 118.2(6) . .
C34 C35 C37 121.1(6) . .
C36 C35 C37 120.6(6) . .
C31 C36 C35 120.1(6) . .
C31 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C38 C37 C42 117.5(6) . .
C38 C37 C35 120.4(6) . .
C42 C37 C35 122.1(6) . .
C37 C38 C39 121.1(7) . .
C37 C38 H38 119.4 . .
C39 C38 H38 119.4 . .
C40 C39 C38 121.1(6) . .
C40 C39 H39 119.5 . .
C38 C39 H39 119.5 . .
C39 C40 C41 119.0(6) . .
C39 C40 C45 120.3(6) . .
C41 C40 C45 120.7(6) . .
C40 C41 C42 119.5(7) . .
C40 C41 H41 120.3 . .
C42 C41 H41 120.3 . .
C37 C42 C41 121.8(7) . .
C37 C42 H42 119.1 . .
C41 C42 H42 119.1 . .
O13 C43 O14 124.5(6) . .
O13 C43 C31 117.5(5) . .
O14 C43 C31 118.0(5) . .
O15 C44 O16 122.0(6) . .
O15 C44 C33 119.1(6) . .
O16 C44 C33 118.9(6) . .
O15 C44 Tb4 60.3(3) . 2_494
O16 C44 Tb4 61.8(3) . 2_494
C33 C44 Tb4 178.4(5) . 2_494
O15 C44 Eu4 60.3(3) . 2_494
O16 C44 Eu4 61.8(3) . 2_494
C33 C44 Eu4 178.4(5) . 2_494
Tb4 C44 Eu4 0.000(16) 2_494 2_494
O18 C45 O17 124.8(6) . .
O18 C45 C40 119.3(6) . .
O17 C45 C40 115.9(6) . .
C47 C46 C51 119.7(5) . .
C47 C46 C58 119.0(5) . .
C51 C46 C58 121.3(5) . .
C48 C47 C46 120.1(6) . .
C48 C47 H47 119.9 . .
C46 C47 H47 119.9 . .
C49 C48 C47 119.3(6) . .
C49 C48 C59 121.6(6) . .
C47 C48 C59 119.1(5) . .
C48 C49 C50 121.7(6) . .
C48 C49 H49 119.2 . .
C50 C49 H49 119.2 . .
C49 C50 C51 119.1(6) . .
C49 C50 C52 120.8(6) . .
C51 C50 C52 120.2(6) . .
C50 C51 C46 120.0(6) . .
C50 C51 H51 120.0 . .
C46 C51 H51 120.0 . .
C53 C52 C57 117.0(6) . .
C53 C52 C50 121.8(6) . .
C57 C52 C50 121.2(6) . .
C54 C53 C52 121.7(7) . .
C54 C53 H53 119.2 . .
C52 C53 H53 119.2 . .
C55 C54 C53 120.5(7) . .
C55 C54 H54 119.8 . .
C53 C54 H54 119.8 . .
C56 C55 C54 118.8(6) . .
C56 C55 C60 119.7(7) . .
C54 C55 C60 121.4(7) . .
C55 C56 C57 120.6(7) . .
C55 C56 H56 119.7 . .
C57 C56 H56 119.7 . .
C56 C57 C52 121.4(7) . .
C56 C57 H57 119.3 . .
C52 C57 H57 119.3 . .
O19 C58 O20 123.2(6) . .
O19 C58 C46 119.3(6) . .
O20 C58 C46 117.4(5) . .
O21 C59 O22 124.6(6) . .
O21 C59 C48 117.5(6) . .
O22 C59 C48 117.9(5) . .
O21 C59 Eu3 84.4(4) . 1_556
O22 C59 Eu3 41.6(3) . 1_556
C48 C59 Eu3 154.4(4) . 1_556
O23 C60 O24 122.0(6) . .
O23 C60 C55 118.9(6) . .
O24 C60 C55 119.1(6) . .
O23 C60 Eu1 61.2(4) . .
O24 C60 Eu1 60.9(3) . .
C55 C60 Eu1 176.1(5) . .
C61 N1 C62 124.7(19) . .
C61 N1 C63 112.5(18) . .
C62 N1 C63 120.5(17) . .
C64 N2 C66 116.8(11) . .
C64 N2 C65 120.4(11) . .
C66 N2 C65 122.8(11) . .
O27 C61 N1 137(3) . .
O27 C61 H61 111.7 . .
N1 C61 H61 111.7 . .
N1 C62 H62A 109.5 . .
N1 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
N1 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
N1 C63 H63A 109.5 . .
N1 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N1 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
O30 C64 N2 124.5(11) . .
O30 C64 H64 117.7 . .
N2 C64 H64 117.7 . .
N2 C65 H65A 109.5 . .
N2 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
N2 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
N2 C66 H66A 109.5 . .
N2 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
N2 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C67 N3 C69 123.7(10) . .
C67 N3 C68 118.4(9) . .
C69 N3 C68 117.8(9) . .
O35 C67 N3 124.7(10) . .
O35 C67 H67 117.6 . .
N3 C67 H67 117.6 . .
N3 C68 H68A 109.5 . .
N3 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
N3 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
N3 C69 H69A 109.5 . .
N3 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
N3 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C70 N4 C71 120.4(9) . .
C70 N4 C72 119.3(9) . .
C71 N4 C72 120.2(9) . .
O36 C70 N4 124.8(10) . .
O36 C70 H70 117.6 . .
N4 C70 H70 117.6 . .
N4 C71 H71A 109.5 . .
N4 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
N4 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
N4 C72 H72A 109.5 . .
N4 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
N4 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C73 N5 C75 120.9(9) . .
C73 N5 C74 118.0(9) . .
C75 N5 C74 121.0(9) . .
O37 C73 N5 123.7(10) . .
O37 C73 H73 118.2 . .
N5 C73 H73 118.2 . .
N5 C74 H74A 109.5 . .
N5 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
N5 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
N5 C75 H75A 109.5 . .
N5 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
N5 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C76 N6 C77 115(3) . .
C76 N6 C78 98(3) . .
C77 N6 C78 147(4) . .
N6 C76 O38 117(3) . .
N6 C76 H76 121.7 . .
O38 C76 H76 121.7 . .
N6 C77 H77A 109.5 . .
N6 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
N6 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
N6 C78 H78A 109.5 . .
N6 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
N6 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C80 N7 C81 127(4) . .
C80 N7 C79 114(4) . .
C81 N7 C79 103(3) . .
O39 C79 N7 130(4) . .
O39 C79 H79 114.8 . .
N7 C79 H79 114.8 . .
N7 C80 H80A 109.5 . .
N7 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
N7 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
N7 C81 H81A 109.5 . .
N7 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
N7 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.348(5) 2_594
Eu1 O10 2.366(4) 2_584
Eu1 O9 2.383(4) 1_565
Eu1 O2 2.418(4) .
Eu1 O26 2.435(5) .
Eu1 O25 2.467(6) .
Eu1 O24 2.472(5) .
Eu1 O23 2.479(5) .
Eu1 C60 2.824(6) .
Eu1 O1 2.827(5) .
Eu1 C13 3.002(6) .
Eu1 Tb1 4.0390(15) 2_594
Eu2 O17 2.295(4) .
Eu2 O3 2.320(5) .
Eu2 O4 2.331(4) 2_484
Eu2 O27 2.344(6) .
Eu2 O28 2.473(5) .
Eu2 O29 2.477(5) .
Eu2 O8 2.483(5) .
Eu2 O7 2.502(5) .
Eu2 C28 2.855(7) .
Eu2 C14 3.261(6) 2_484
Eu3 O21 2.306(4) 2_594
Eu3 O13 2.342(5) .
Eu3 O14 2.404(4) 2_593
Eu3 O22 2.408(5) 1_554
Eu3 O30 2.418(5) .
Eu3 O5 2.455(5) .
Eu3 O6 2.468(5) .
Eu3 O31 2.469(6) .
Eu3 C15 2.822(7) .
Eu3 C59 3.194(7) 1_554
Eu3 Eu3 4.3463(17) 2_593
Eu4 O20 2.319(5) 2_485
Eu4 O19 2.321(5) .
Eu4 O12 2.327(5) 2_584
Eu4 O33 2.445(5) .
Eu4 O15 2.453(4) 2_494
Eu4 O32 2.456(6) .
Eu4 O34 2.462(5) .
Eu4 O16 2.486(4) 2_494
Eu4 C44 2.820(7) 2_494
O1 C13 1.258(8) .
O1 Tb1 2.348(5) 2_594
O1 Eu1 2.348(5) 2_594
O2 C13 1.264(8) .
O3 C14 1.248(8) .
O4 C14 1.250(8) .
O4 Tb2 2.331(4) 2_484
O4 Eu2 2.331(4) 2_484
O5 C15 1.238(9) .
O6 C15 1.257(8) .
O7 C28 1.273(8) .
O8 C28 1.265(8) .
O9 C29 1.254(8) .
O9 Tb1 2.383(4) 1_545
O9 Eu1 2.383(4) 1_545
O10 C29 1.265(8) .
O10 Tb1 2.366(4) 2_584
O10 Eu1 2.366(4) 2_584
O11 C30 1.263(8) .
O12 C30 1.264(8) .
O12 Tb4 2.327(5) 2_584
O12 Eu4 2.327(5) 2_584
O13 C43 1.245(7) .
O14 C43 1.264(7) .
O14 Tb3 2.404(4) 2_593
O14 Eu3 2.404(4) 2_593
O15 C44 1.250(8) .
O15 Tb4 2.453(4) 2_494
O15 Eu4 2.453(4) 2_494
O16 C44 1.260(7) .
O16 Tb4 2.486(4) 2_494
O16 Eu4 2.486(4) 2_494
O17 C45 1.258(8) .
O18 C45 1.246(9) .
O19 C58 1.244(7) .
O20 C58 1.246(7) .
O20 Tb4 2.319(5) 2_485
O20 Eu4 2.319(5) 2_485
O21 C59 1.249(7) .
O21 Tb3 2.306(4) 2_594
O21 Eu3 2.306(4) 2_594
O22 C59 1.250(8) .
O22 Tb3 2.408(5) 1_556
O22 Eu3 2.408(5) 1_556
O23 C60 1.236(8) .
O24 C60 1.248(8) .
O25 H25A 1.017(18) .
O25 H25B 1.006(18) .
O26 H26A 1.019(18) .
O26 H26B 1.023(18) .
O27 C61 1.04(2) .
O28 H28A 1.00(2) .
O28 H28B 1.01(2) .
O29 H29A 1.011(19) .
O29 H29B 1.012(19) .
O30 C64 1.285(12) .
O31 H31A 1.014(19) .
O31 H31B 1.015(19) .
O32 H32A 0.99(2) .
O32 H32B 0.99(2) .
O33 H33A 1.00(2) .
O33 H33B 1.00(2) .
O34 H34A 1.012(17) .
O34 H34B 1.012(17) .
C1 C2 1.382(8) .
C1 C6 1.396(8) .
C1 C13 1.503(9) .
C2 C3 1.387(8) .
C2 H2 0.9300 .
C3 C4 1.390(8) .
C3 C14 1.507(8) .
C4 C5 1.416(9) .
C4 H4 0.9300 .
C5 C6 1.391(8) .
C5 C7 1.498(8) .
C6 H6 0.9300 .
C7 C12 1.368(10) .
C7 C8 1.387(10) .
C8 C9 1.389(10) .
C8 H8 0.9300 .
C9 C10 1.367(10) .
C9 H9 0.9300 .
C10 C11 1.374(10) .
C10 C15 1.511(9) .
C11 C12 1.384(10) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C14 Eu2 3.261(6) 2_484
C16 C17 1.378(9) .
C16 C21 1.394(9) .
C16 C28 1.496(9) .
C17 C18 1.401(10) .
C17 H17 0.9300 .
C18 C19 1.383(9) .
C18 C29 1.525(9) .
C19 C20 1.388(9) .
C19 H19 0.9300 .
C20 C21 1.387(10) .
C20 C22 1.480(9) .
C21 H21 0.9300 .
C22 C23 1.381(10) .
C22 C27 1.387(10) .
C23 C24 1.388(10) .
C23 H23 0.9300 .
C24 C25 1.392(10) .
C24 H24 0.9300 .
C25 C26 1.359(10) .
C25 C30 1.502(10) .
C26 C27 1.396(10) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C31 C36 1.385(9) .
C31 C32 1.386(9) .
C31 C43 1.515(9) .
C32 C33 1.386(9) .
C32 H32 0.9300 .
C33 C34 1.377(9) .
C33 C44 1.505(9) .
C34 C35 1.385(9) .
C34 H34 0.9300 .
C35 C36 1.406(9) .
C35 C37 1.497(9) .
C36 H36 0.9300 .
C37 C38 1.371(9) .
C37 C42 1.388(10) .
C38 C39 1.393(9) .
C38 H38 0.9300 .
C39 C40 1.370(10) .
C39 H39 0.9300 .
C40 C41 1.378(10) .
C40 C45 1.519(9) .
C41 C42 1.401(10) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C44 Tb4 2.820(7) 2_494
C44 Eu4 2.820(7) 2_494
C46 C47 1.393(8) .
C46 C51 1.404(8) .
C46 C58 1.487(8) .
C47 C48 1.392(8) .
C47 H47 0.9300 .
C48 C49 1.378(8) .
C48 C59 1.503(9) .
C49 C50 1.389(9) .
C49 H49 0.9300 .
C50 C51 1.390(8) .
C50 C52 1.489(9) .
C51 H51 0.9300 .
C52 C53 1.388(10) .
C52 C57 1.391(10) .
C53 C54 1.384(9) .
C53 H53 0.9300 .
C54 C55 1.379(10) .
C54 H54 0.9300 .
C55 C56 1.375(10) .
C55 C60 1.507(9) .
C56 C57 1.388(9) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C59 Eu3 3.194(7) 1_556
N1 C61 1.34(2) .
N1 C62 1.43(2) .
N1 C63 1.52(2) .
N2 C64 1.318(13) .
N2 C66 1.456(16) .
N2 C65 1.482(15) .
C61 H61 0.9300 .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 H64 0.9300 .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
O35 C67 1.250(12) .
N3 C67 1.305(12) .
N3 C69 1.402(14) .
N3 C68 1.449(15) .
C67 H67 0.9300 .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
O36 C70 1.236(11) .
N4 C70 1.299(12) .
N4 C71 1.455(13) .
N4 C72 1.457(13) .
C70 H70 0.9300 .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C72 H72A 0.9600 .
C72 H72B 0.9600 .
C72 H72C 0.9600 .
O37 C73 1.226(11) .
N5 C73 1.325(12) .
N5 C75 1.389(13) .
N5 C74 1.436(13) .
C73 H73 0.9300 .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 H75A 0.9600 .
C75 H75B 0.9600 .
C75 H75C 0.9600 .
O38 C76 1.58(3) .
N6 C76 1.379(18) .
N6 C77 1.397(18) .
N6 C78 1.427(18) .
C76 H76 0.9300 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
O39 C79 1.462(19) .
N7 C80 1.421(19) .
N7 C81 1.450(19) .
N7 C79 1.46(2) .
C79 H79 0.9300 .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
C81 H81A 0.9600 .
C81 H81B 0.9600 .
C81 H81C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O25 H25B O18 1.006(18) 1.76(11) 2.673(8) 150(19) 2_494
O26 H26A O36 1.019(18) 1.82(12) 2.763(9) 151(21) 2_585
O26 H26B O37 1.023(18) 1.91(11) 2.831(9) 149(17) 1_474
O28 H28A O8 1.00(2) 1.90(5) 2.880(7) 165(16) 2_484
O28 H28A O3 1.00(2) 2.54(9) 3.106(7) 116(6) 2_484
O28 H28B O37 1.01(2) 2.53(14) 3.316(9) 135(15) 2_575
O29 H29A O36 1.011(19) 1.72(4) 2.725(9) 172(19) 1_464
O31 H31A O35 1.014(19) 2.01(16) 2.795(9) 133(16) 2_674
O31 H31B O11 1.015(19) 1.91(10) 2.849(7) 152(18) .
O32 H32B O2W 0.99(2) 2.26(12) 3.100(11) 142(15) 2_575
O33 H33A O11 1.00(2) 2.00(15) 2.670(8) 122(13) 2_584
O33 H33B O2W 1.00(2) 1.80(9) 2.743(11) 155(18) 2_575
O34 H34A O16 1.012(17) 1.82(7) 2.793(6) 159(16) 1_546
O34 H34B O35 1.012(17) 2.06(19) 2.806(8) 129(18) 1_465
