#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/51/7035100.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_7035100
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 Eu2 N7 O42 Tb2'
_chemical_formula_sum            'C81 H99 Eu2 N7 O42 Tb2'
_chemical_formula_weight         2464.43
_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                75.67(3)
_cell_angle_beta                 79.35(3)
_cell_angle_gamma                85.62(3)
_cell_formula_units_Z            2
_cell_length_a                   13.006(3)
_cell_length_b                   13.821(3)
_cell_length_c                   27.982(6)
_cell_measurement_reflns_used    16821
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.52
_cell_volume                     4787(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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0252
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27155
_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    2.845
_exptl_absorpt_correction_T_max  0.5618
_exptl_absorpt_correction_T_min  0.5157
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2452
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.968
_refine_diff_density_min         -1.163
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1075
_refine_ls_number_reflns         16821
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0528P)²+13.1386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1091
_reflns_number_gt                13581
_reflns_number_total             16821
_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        4786.9(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035100
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
Tb1 Tb -0.11972(2) 2.02118(2) -0.445945(10) 0.02070(8) Uani 0.50 1 d P
Eu1 Eu -0.11972(2) 2.02118(2) -0.445945(10) 0.02070(8) Uani 0.50 1 d PD
Tb2 Tb -0.52855(2) 1.53782(2) -0.584917(10) 0.02266(8) Uani 0.50 1 d P
Eu2 Eu -0.52855(2) 1.53782(2) -0.584917(10) 0.02266(8) Uani 0.50 1 d PD
Tb3 Tb 0.03068(2) 1.87524(2) -0.939496(10) 0.01982(8) Uani 0.50 1 d P
Eu3 Eu 0.03068(2) 1.87524(2) -0.939496(10) 0.01982(8) Uani 0.50 1 d PD
Tb4 Tb -0.48291(2) 1.48078(2) -0.085854(10) 0.02145(8) Uani 0.50 1 d P
Eu4 Eu -0.48291(2) 1.48078(2) -0.085854(10) 0.02145(8) Uani 0.50 1 d PD
O1 O -0.0543(4) 1.9320(3) -0.52785(16) 0.0320(10) Uani 1 1 d .
O2 O -0.2009(4) 1.8990(4) -0.47411(16) 0.0365(11) Uani 1 1 d .
O3 O -0.4003(4) 1.5673(4) -0.54330(19) 0.0430(13) Uani 1 1 d .
O4 O -0.3762(4) 1.5906(3) -0.47122(16) 0.0376(12) Uani 1 1 d .
O5 O 0.0452(4) 1.8896(4) -0.85553(17) 0.0504(14) Uani 1 1 d .
O6 O -0.0687(4) 1.7858(3) -0.85913(16) 0.0398(12) Uani 1 1 d .
O7 O -0.3601(4) 1.5169(3) -0.64192(17) 0.0365(12) Uani 1 1 d .
O8 O -0.4045(3) 1.3925(3) -0.57646(16) 0.0309(10) Uani 1 1 d .
O9 O -0.1313(4) 1.1351(3) -0.52411(15) 0.0342(11) Uani 1 1 d .
O10 O 0.0188(4) 1.1266(3) -0.57754(16) 0.0321(11) Uani 1 1 d .
O11 O 0.2599(4) 1.6593(4) -0.85308(18) 0.0461(13) Uani 1 1 d .
O12 O 0.3257(4) 1.5080(4) -0.85847(18) 0.0407(12) Uani 1 1 d .
O13 O -0.1109(4) 1.9836(3) -0.92243(16) 0.0352(11) Uani 1 1 d .
O14 O -0.1241(4) 2.1273(3) -0.97848(15) 0.0318(11) Uani 1 1 d .
O15 O -0.4959(4) 2.3511(3) -0.86167(17) 0.0414(13) Uani 1 1 d .
O16 O -0.3876(4) 2.3872(3) -0.93319(15) 0.0303(10) Uani 1 1 d .
O17 O -0.5095(4) 1.6942(3) -0.63682(17) 0.0417(13) Uani 1 1 d .
O18 O -0.5561(5) 1.8144(4) -0.5970(2) 0.067(2) Uani 1 1 d .
O19 O -0.4024(4) 1.5720(3) -0.04520(18) 0.0368(11) Uani 1 1 d .
O20 O -0.3887(4) 1.6070(3) 0.02558(17) 0.0379(12) Uani 1 1 d .
O21 O -0.0988(4) 1.9679(3) -0.03281(17) 0.0375(12) Uani 1 1 d .
O22 O -0.1062(4) 1.8267(3) 0.02536(17) 0.0360(11) Uani 1 1 d .
O23 O -0.2217(4) 1.9354(5) -0.36484(18) 0.0558(16) Uani 1 1 d .
O24 O -0.0870(4) 2.0176(4) -0.36163(16) 0.0424(13) Uani 1 1 d .
O25 O -0.3083(5) 2.0604(5) -0.4443(3) 0.0659(17) Uani 1 1 d D
O26 O -0.1437(6) 2.1880(4) -0.43138(19) 0.0591(17) Uani 1 1 d D
O27 O -0.5726(5) 1.4618(5) -0.6439(2) 0.0654(18) Uani 1 1 d .
O28 O -0.6099(4) 1.6429(4) -0.52784(17) 0.0445(13) Uani 1 1 d D
O29 O -0.7133(4) 1.5816(4) -0.5927(2) 0.0459(13) Uani 1 1 d D
O30 O 0.0586(5) 1.6999(4) -0.9366(2) 0.0515(14) Uani 1 1 d .
O31 O 0.2118(4) 1.8324(4) -0.92598(19) 0.0507(14) Uani 1 1 d D
O32 O -0.6227(6) 1.4760(5) -0.1330(3) 0.080(2) Uani 1 1 d D
O33 O -0.4639(4) 1.3215(4) -0.1098(2) 0.0481(14) Uani 1 1 d D
O34 O -0.3817(4) 1.3621(3) -0.02961(17) 0.0381(11) Uani 1 1 d D
C1 C -0.1747(5) 1.8229(4) -0.5427(2) 0.0249(13) Uani 1 1 d .
C2 C -0.2493(5) 1.7525(4) -0.5185(2) 0.0244(13) Uani 1 1 d .
H2 H -0.2757 1.7451 -0.4846 0.029 Uiso 1 1 calc R
C3 C -0.2842(5) 1.6931(4) -0.5451(2) 0.0231(13) Uani 1 1 d .
C4 C -0.2480(5) 1.7058(5) -0.5955(2) 0.0280(14) Uani 1 1 d .
H4 H -0.2741 1.6671 -0.6132 0.034 Uiso 1 1 calc R
C5 C -0.1716(5) 1.7766(5) -0.6209(2) 0.0295(15) Uani 1 1 d .
C6 C -0.1344(5) 1.8335(5) -0.5933(2) 0.0286(14) Uani 1 1 d .
H6 H -0.0822 1.8789 -0.6089 0.034 Uiso 1 1 calc R
C7 C -0.1339(6) 1.7888(5) -0.6756(2) 0.0313(15) Uani 1 1 d .
C8 C -0.0379(7) 1.8334(7) -0.6988(3) 0.058(3) Uani 1 1 d .
H8 H 0.0034 1.8551 -0.6799 0.069 Uiso 1 1 calc R
C9 C -0.0051(7) 1.8449(7) -0.7499(3) 0.059(3) Uani 1 1 d .
H9 H 0.0587 1.8740 -0.7647 0.070 Uiso 1 1 calc R
C10 C -0.0635(6) 1.8148(5) -0.7792(2) 0.0309(15) Uani 1 1 d .
C11 C -0.1533(6) 1.7629(6) -0.7557(3) 0.047(2) Uani 1 1 d .
H11 H -0.1908 1.7355 -0.7741 0.056 Uiso 1 1 calc R
C12 C -0.1872(6) 1.7520(6) -0.7048(3) 0.046(2) Uani 1 1 d .
H12 H -0.2486 1.7184 -0.6899 0.055 Uiso 1 1 calc R
C13 C -0.1402(5) 1.8887(5) -0.5133(2) 0.0263(14) Uani 1 1 d .
C14 C -0.3598(5) 1.6126(4) -0.5178(2) 0.0257(14) Uani 1 1 d .
C15 C -0.0264(6) 1.8305(5) -0.8346(2) 0.0315(15) Uani 1 1 d .
C16 C -0.2343(5) 1.3835(5) -0.6251(2) 0.0274(14) Uani 1 1 d .
C17 C -0.2043(5) 1.2985(5) -0.5922(2) 0.0299(15) Uani 1 1 d .
H17 H -0.2499 1.2715 -0.5629 0.036 Uiso 1 1 calc R
C18 C -0.1056(5) 1.2529(5) -0.6027(2) 0.0297(15) Uani 1 1 d .
C19 C -0.0387(5) 1.2931(5) -0.6461(2) 0.0328(16) Uani 1 1 d .
H19 H 0.0266 1.2623 -0.6531 0.039 Uiso 1 1 calc R
C20 C -0.0670(6) 1.3793(5) -0.6800(2) 0.0353(17) Uani 1 1 d .
C21 C -0.1647(5) 1.4230(5) -0.6685(2) 0.0359(17) Uani 1 1 d .
H21 H -0.1845 1.4806 -0.6905 0.043 Uiso 1 1 calc R
C22 C 0.0110(5) 1.4264(5) -0.7247(2) 0.0369(17) Uani 1 1 d .
C23 C 0.0166(6) 1.5294(6) -0.7401(3) 0.051(2) Uani 1 1 d .
H23 H -0.0319 1.5689 -0.7240 0.062 Uiso 1 1 calc R
C24 C 0.0929(6) 1.5750(6) -0.7792(3) 0.053(2) Uani 1 1 d .
H24 H 0.0942 1.6443 -0.7894 0.063 Uiso 1 1 calc R
C25 C 0.1670(5) 1.5173(5) -0.8029(2) 0.0349(16) Uani 1 1 d .
C26 C 0.1594(6) 1.4147(5) -0.7889(3) 0.0412(18) Uani 1 1 d .
H26 H 0.2067 1.3750 -0.8056 0.049 Uiso 1 1 calc R
C27 C 0.0818(6) 1.3700(6) -0.7503(3) 0.0425(19) Uani 1 1 d .
H27 H 0.0776 1.3008 -0.7415 0.051 Uiso 1 1 calc R
C28 C -0.3389(5) 1.4329(5) -0.6143(2) 0.0283(14) Uani 1 1 d .
C29 C -0.0704(5) 1.1629(5) -0.5647(2) 0.0280(14) Uani 1 1 d .
C30 C 0.2559(5) 1.5661(5) -0.8410(2) 0.0352(16) Uani 1 1 d .
C31 C -0.2380(5) 2.1027(4) -0.8999(2) 0.0262(14) Uani 1 1 d .
C32 C -0.2852(5) 2.1969(4) -0.9121(2) 0.0250(13) Uani 1 1 d .
H32 H -0.2618 2.2404 -0.9427 0.030 Uiso 1 1 calc R
C33 C -0.3673(5) 2.2268(5) -0.8789(2) 0.0285(14) Uani 1 1 d .
C34 C -0.4017(5) 2.1617(5) -0.8334(2) 0.0332(16) Uani 1 1 d .
H34 H -0.4561 2.1823 -0.8111 0.040 Uiso 1 1 calc R
C35 C -0.3571(5) 2.0665(5) -0.8203(2) 0.0332(16) Uani 1 1 d .
C36 C -0.2740(5) 2.0387(5) -0.8544(2) 0.0313(15) Uani 1 1 d .
H36 H -0.2422 1.9756 -0.8462 0.038 Uiso 1 1 calc R
C37 C -0.3993(6) 1.9961(5) -0.7726(2) 0.0346(16) Uani 1 1 d .
C38 C -0.4003(6) 1.8949(5) -0.7702(3) 0.0425(19) Uani 1 1 d .
H38 H -0.3734 1.8714 -0.7985 0.051 Uiso 1 1 calc R
C39 C -0.4409(6) 1.8278(5) -0.7260(3) 0.0438(19) Uani 1 1 d .
H39 H -0.4416 1.7603 -0.7253 0.053 Uiso 1 1 calc R
C40 C -0.4802(6) 1.8601(5) -0.6831(2) 0.0346(16) Uani 1 1 d .
C41 C -0.4787(7) 1.9605(5) -0.6844(3) 0.053(2) Uani 1 1 d .
H41 H -0.5041 1.9833 -0.6557 0.064 Uiso 1 1 calc R
C42 C -0.4390(7) 2.0274(5) -0.7290(3) 0.051(2) Uani 1 1 d .
H42 H -0.4389 2.0950 -0.7296 0.061 Uiso 1 1 calc R
C43 C -0.1509(5) 2.0684(4) -0.9360(2) 0.0250(14) Uani 1 1 d .
C44 C -0.4198(5) 2.3280(5) -0.8919(2) 0.0283(14) Uani 1 1 d .
C45 C -0.5192(6) 1.7848(5) -0.6349(2) 0.0389(18) Uani 1 1 d .
C46 C -0.3000(5) 1.7080(4) -0.0480(2) 0.0220(13) Uani 1 1 d .
C47 C -0.2482(5) 1.7534(4) -0.0210(2) 0.0234(13) Uani 1 1 d .
H47 H -0.2553 1.7295 0.0136 0.028 Uiso 1 1 calc R
C48 C -0.1853(5) 1.8344(4) -0.0449(2) 0.0250(13) Uani 1 1 d .
C49 C -0.1764(5) 1.8700(5) -0.0960(2) 0.0275(14) Uani 1 1 d .
H49 H -0.1374 1.9263 -0.1118 0.033 Uiso 1 1 calc R
C50 C -0.2246(5) 1.8233(5) -0.1246(2) 0.0285(14) Uani 1 1 d .
C51 C -0.2871(5) 1.7427(5) -0.1002(2) 0.0272(14) Uani 1 1 d .
H51 H -0.3207 1.7114 -0.1185 0.033 Uiso 1 1 calc R
C52 C -0.2096(6) 1.8589(5) -0.1800(2) 0.0315(15) Uani 1 1 d .
C53 C -0.2857(6) 1.8509(6) -0.2068(2) 0.0428(19) Uani 1 1 d .
H53 H -0.3488 1.8226 -0.1898 0.051 Uiso 1 1 calc R
C54 C -0.2716(6) 1.8833(6) -0.2582(2) 0.0436(19) Uani 1 1 d .
H54 H -0.3251 1.8776 -0.2751 0.052 Uiso 1 1 calc R
C55 C -0.1783(6) 1.9243(5) -0.2846(2) 0.0306(15) Uani 1 1 d .
C56 C -0.1002(6) 1.9316(5) -0.2591(2) 0.0376(17) Uani 1 1 d .
H56 H -0.0363 1.9575 -0.2765 0.045 Uiso 1 1 calc R
C57 C -0.1159(6) 1.9001(6) -0.2067(2) 0.0394(18) Uani 1 1 d .
H57 H -0.0630 1.9070 -0.1897 0.047 Uiso 1 1 calc R
C58 C -0.3696(5) 1.6234(4) -0.0211(2) 0.0245(13) Uani 1 1 d .
C59 C -0.1270(5) 1.8801(4) -0.0153(2) 0.0254(14) Uani 1 1 d .
C60 C -0.1613(6) 1.9611(5) -0.3407(2) 0.0321(16) Uani 1 1 d .
N1 N -0.6198(11) 1.3724(10) -0.6928(5) 0.124(4) Uiso 1 1 d .
N2 N 0.1089(7) 1.5665(7) -0.9726(3) 0.080(3) Uiso 1 1 d .
C61 C -0.564(2) 1.4266(17) -0.6735(9) 0.194(9) Uiso 1 1 d .
H61 H -0.4971 1.4356 -0.6923 0.233 Uiso 1 1 calc R
C62 C -0.702(2) 1.3151(19) -0.6589(10) 0.241(12) Uiso 1 1 d .
H62A H -0.7348 1.2783 -0.6766 0.362 Uiso 1 1 calc R
H62B H -0.7529 1.3592 -0.6450 0.362 Uiso 1 1 calc R
H62C H -0.6733 1.2694 -0.6324 0.362 Uiso 1 1 calc R
C63 C -0.5716(17) 1.3535(15) -0.7431(8) 0.184(8) Uiso 1 1 d .
H63A H -0.6163 1.3121 -0.7526 0.276 Uiso 1 1 calc R
H63B H -0.5044 1.3204 -0.7410 0.276 Uiso 1 1 calc R
H63C H -0.5635 1.4160 -0.7676 0.276 Uiso 1 1 calc R
C64 C 0.0771(9) 1.6618(8) -0.9748(4) 0.078(3) Uiso 1 1 d .
H64 H 0.0680 1.7025 -1.0057 0.094 Uiso 1 1 calc R
C65 C 0.1389(11) 1.5333(10) -1.0198(5) 0.108(4) Uiso 1 1 d .
H65A H 0.1600 1.4638 -1.0123 0.162 Uiso 1 1 calc R
H65B H 0.1959 1.5718 -1.0406 0.162 Uiso 1 1 calc R
H65C H 0.0802 1.5425 -1.0370 0.162 Uiso 1 1 calc R
C66 C 0.1146(12) 1.5013(11) -0.9241(6) 0.125(5) Uiso 1 1 d .
H66A H 0.1387 1.4359 -0.9279 0.187 Uiso 1 1 calc R
H66B H 0.0465 1.4975 -0.9036 0.187 Uiso 1 1 calc R
H66C H 0.1625 1.5274 -0.9084 0.187 Uiso 1 1 calc R
O35 O 0.6030(5) 0.1529(5) -0.0040(2) 0.0651(17) Uiso 1 1 d .
N3 N 0.5442(6) 0.0177(5) 0.0565(3) 0.0529(17) Uiso 1 1 d .
C67 C 0.5395(9) 0.1139(8) 0.0334(4) 0.072(3) Uiso 1 1 d .
H67 H 0.4859 0.1540 0.0460 0.086 Uiso 1 1 calc R
C68 C 0.4647(11) -0.0189(10) 0.0996(5) 0.111(4) Uiso 1 1 d .
H68A H 0.4777 -0.0889 0.1129 0.166 Uiso 1 1 calc R
H68B H 0.3970 -0.0090 0.0898 0.166 Uiso 1 1 calc R
H68C H 0.4667 0.0168 0.1248 0.166 Uiso 1 1 calc R
C69 C 0.6258(10) -0.0492(9) 0.0421(5) 0.095(4) Uiso 1 1 d .
H69A H 0.6146 -0.1146 0.0638 0.143 Uiso 1 1 calc R
H69B H 0.6919 -0.0261 0.0446 0.143 Uiso 1 1 calc R
H69C H 0.6261 -0.0522 0.0081 0.143 Uiso 1 1 calc R
O36 O 0.2176(6) 0.7490(5) 0.3446(3) 0.0737(19) Uiso 1 1 d .
N4 N 0.2864(6) 0.7729(6) 0.2629(3) 0.062(2) Uiso 1 1 d .
C70 C 0.2424(8) 0.8040(8) 0.3027(4) 0.073(3) Uiso 1 1 d .
H70 H 0.2289 0.8723 0.2990 0.088 Uiso 1 1 calc R
C71 C 0.3081(10) 0.8437(9) 0.2139(4) 0.091(4) Uiso 1 1 d .
H71A H 0.3424 0.8088 0.1893 0.137 Uiso 1 1 calc R
H71B H 0.3527 0.8945 0.2156 0.137 Uiso 1 1 calc R
H71C H 0.2436 0.8740 0.2045 0.137 Uiso 1 1 calc R
C72 C 0.3213(10) 0.6679(8) 0.2678(4) 0.089(3) Uiso 1 1 d .
H72A H 0.3533 0.6579 0.2355 0.134 Uiso 1 1 calc R
H72B H 0.2622 0.6258 0.2809 0.134 Uiso 1 1 calc R
H72C H 0.3713 0.6513 0.2901 0.134 Uiso 1 1 calc R
O37 O 0.8654(6) 0.3866(5) 0.5109(3) 0.0743(19) Uiso 1 1 d .
N5 N 0.9852(6) 0.4541(5) 0.4433(3) 0.0534(17) Uiso 1 1 d .
C73 C 0.8918(8) 0.4494(7) 0.4714(4) 0.064(2) Uiso 1 1 d .
H73 H 0.8416 0.4973 0.4607 0.076 Uiso 1 1 calc R
C74 C 1.0070(10) 0.5342(9) 0.3990(4) 0.091(4) Uiso 1 1 d .
H74A H 1.0782 0.5276 0.3830 0.137 Uiso 1 1 calc R
H74B H 0.9964 0.5972 0.4081 0.137 Uiso 1 1 calc R
H74C H 0.9609 0.5312 0.3763 0.137 Uiso 1 1 calc R
C75 C 1.0637(9) 0.3816(8) 0.4564(4) 0.084(3) Uiso 1 1 d .
H75A H 1.1266 0.3964 0.4322 0.126 Uiso 1 1 calc R
H75B H 1.0409 0.3168 0.4569 0.126 Uiso 1 1 calc R
H75C H 1.0772 0.3821 0.4889 0.126 Uiso 1 1 calc R
O38 O 0.7068(12) 0.4129(12) 0.2112(6) 0.199(6) Uiso 1 1 d .
N6 N 0.808(2) 0.252(2) 0.2257(11) 0.299(13) Uiso 1 1 d D
C76 C 0.728(2) 0.310(2) 0.2455(12) 0.245(13) Uiso 1 1 d D
H76 H 0.6890 0.2885 0.2774 0.294 Uiso 1 1 calc R
C77 C 0.859(3) 0.292(2) 0.1776(12) 0.314(18) Uiso 1 1 d D
H77A H 0.9136 0.2461 0.1681 0.471 Uiso 1 1 calc R
H77B H 0.8899 0.3540 0.1767 0.471 Uiso 1 1 calc R
H77C H 0.8106 0.3046 0.1548 0.471 Uiso 1 1 calc R
C78 C 0.805(3) 0.169(2) 0.2675(12) 0.315(18) Uiso 1 1 d D
H78A H 0.8591 0.1208 0.2598 0.473 Uiso 1 1 calc R
H78B H 0.7382 0.1389 0.2747 0.473 Uiso 1 1 calc R
H78C H 0.8168 0.1907 0.2960 0.473 Uiso 1 1 calc R
O39 O 0.6115(19) 0.2065(16) 0.3339(9) 0.280(9) Uiso 1 1 d D
N7 N 0.560(3) 0.115(3) 0.4253(13) 0.45(2) Uiso 1 1 d D
C79 C 0.540(3) 0.187(3) 0.3802(12) 0.321(18) Uiso 1 1 d D
H79 H 0.4761 0.2229 0.3816 0.385 Uiso 1 1 calc R
C80 C 0.529(3) 0.145(2) 0.4713(11) 0.289(16) Uiso 1 1 d D
H80A H 0.4709 0.1920 0.4684 0.433 Uiso 1 1 calc R
H80B H 0.5865 0.1756 0.4783 0.433 Uiso 1 1 calc R
H80C H 0.5087 0.0876 0.4979 0.433 Uiso 1 1 calc R
C81 C 0.654(2) 0.057(2) 0.4117(11) 0.274(14) Uiso 1 1 d D
H81A H 0.6592 0.0523 0.3776 0.411 Uiso 1 1 calc R
H81B H 0.6498 -0.0093 0.4333 0.411 Uiso 1 1 calc R
H81C H 0.7141 0.0884 0.4152 0.411 Uiso 1 1 calc R
O1W O 0.6449(8) 0.5802(7) 0.2514(4) 0.122(3) Uiso 1 1 d .
O2W O 0.5949(8) 0.7219(8) 0.1684(4) 0.128(3) Uiso 1 1 d .
O3W O 0.7829(13) 0.6879(12) 0.1110(6) 0.213(6) Uiso 1 1 d .
H25A H -0.364(3) 2.012(6) -0.445(8) 0.319 Uiso 1 1 d D
H25B H -0.352(4) 2.115(10) -0.431(8) 0.319 Uiso 1 1 d D
H26A H -0.192(15) 2.213(4) -0.403(5) 0.319 Uiso 1 1 d D
H26B H -0.105(14) 2.252(5) -0.451(6) 0.319 Uiso 1 1 d D
H28A H -0.665(11) 1.618(5) -0.498(4) 0.319 Uiso 1 1 d D
H28B H -0.625(15) 1.716(3) -0.5406(19) 0.319 Uiso 1 1 d D
H29A H -0.744(4) 1.649(5) -0.609(8) 0.319 Uiso 1 1 d D
H29B H -0.772(4) 1.535(3) -0.587(8) 0.319 Uiso 1 1 d D
H31A H 0.278(2) 1.867(10) -0.946(6) 0.319 Uiso 1 1 d D
H31B H 0.241(4) 1.766(6) -0.908(7) 0.319 Uiso 1 1 d D
H32A H -0.697(3) 1.496(15) -0.123(5) 0.319 Uiso 1 1 d D
H32B H -0.622(8) 1.429(11) -0.155(6) 0.319 Uiso 1 1 d D
H33A H -0.398(7) 1.278(8) -0.108(7) 0.319 Uiso 1 1 d D
H33B H -0.490(15) 1.312(5) -0.140(5) 0.319 Uiso 1 1 d D
H34A H -0.357(15) 1.372(6) 0.001(5) 0.319 Uiso 1 1 d D
H34B H -0.368(15) 1.288(4) -0.027(6) 0.319 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 Tb1 O10 74.73(16) 2_594 2_584
O1 Tb1 O9 79.46(16) 2_594 1_565
O10 Tb1 O9 133.33(15) 2_584 1_565
O1 Tb1 O2 125.25(16) 2_594 .
O10 Tb1 O2 76.33(17) 2_584 .
O9 Tb1 O2 88.28(17) 1_565 .
O1 Tb1 O26 82.6(2) 2_594 .
O10 Tb1 O26 139.3(2) 2_584 .
O9 Tb1 O26 72.41(17) 1_565 .
O2 Tb1 O26 143.1(2) . .
O1 Tb1 O24 84.71(16) 2_594 .
O10 Tb1 O24 74.42(17) 2_584 .
O9 Tb1 O24 140.81(16) 1_565 .
O2 Tb1 O24 129.45(16) . .
O26 Tb1 O24 70.14(18) . .
O1 Tb1 O25 150.27(19) 2_594 .
O10 Tb1 O25 134.54(19) 2_584 .
O9 Tb1 O25 74.8(2) 1_565 .
O2 Tb1 O25 69.01(19) . .
O26 Tb1 O25 75.6(2) . .
O24 Tb1 O25 106.1(2) . .
O1 Tb1 O23 133.80(17) 2_594 .
O10 Tb1 O23 77.02(18) 2_584 .
O9 Tb1 O23 144.30(18) 1_565 .
O2 Tb1 O23 81.19(17) . .
O26 Tb1 O23 96.3(2) . .
O24 Tb1 O23 52.62(17) . .
O25 Tb1 O23 69.5(2) . .
O1 Tb1 C60 109.21(19) 2_594 .
O10 Tb1 C60 72.96(17) 2_584 .
O9 Tb1 C60 153.36(17) 1_565 .
O2 Tb1 C60 105.16(18) . .
O26 Tb1 C60 83.55(19) . .
O24 Tb1 C60 26.36(18) . .
O25 Tb1 C60 88.4(2) . .
O23 Tb1 C60 26.30(19) . .
O1 Tb1 O1 77.58(15) 2_594 .
O10 Tb1 O1 69.15(14) 2_584 .
O9 Tb1 O1 67.70(14) 1_565 .
O2 Tb1 O1 48.81(14) . .
O26 Tb1 O1 137.92(15) . .
O24 Tb1 O1 142.50(16) . .
O25 Tb1 O1 105.55(18) . .
O23 Tb1 O1 124.09(17) . .
C60 Tb1 O1 138.04(16) . .
O1 Tb1 C13 102.04(17) 2_594 .
O10 Tb1 C13 72.05(17) 2_584 .
O9 Tb1 C13 76.30(16) 1_565 .
O2 Tb1 C13 24.04(15) . .
O26 Tb1 C13 146.94(19) . .
O24 Tb1 C13 142.48(16) . .
O25 Tb1 C13 86.2(2) . .
O23 Tb1 C13 103.04(18) . .
C60 Tb1 C13 123.93(18) . .
O1 Tb1 C13 24.80(15) . .
O1 Tb1 Eu1 43.20(11) 2_594 2_594
O10 Tb1 Eu1 66.31(10) 2_584 2_594
O9 Tb1 Eu1 68.18(11) 1_565 2_594
O2 Tb1 Eu1 82.65(11) . 2_594
O26 Tb1 Eu1 116.48(15) . 2_594
O24 Tb1 Eu1 120.18(13) . 2_594
O25 Tb1 Eu1 133.63(16) . 2_594
O23 Tb1 Eu1 142.47(15) . 2_594
C60 Tb1 Eu1 135.35(15) . 2_594
O1 Tb1 Eu1 34.38(9) . 2_594
C13 Tb1 Eu1 58.96(12) . 2_594
O17 Tb2 O3 90.36(19) . .
O17 Tb2 O4 154.12(18) . 2_484
O3 Tb2 O4 104.67(17) . 2_484
O17 Tb2 O27 96.0(2) . .
O3 Tb2 O27 147.4(2) . .
O4 Tb2 O27 82.7(2) 2_484 .
O17 Tb2 O28 78.75(16) . .
O3 Tb2 O28 72.85(19) . .
O4 Tb2 O28 85.61(17) 2_484 .
O27 Tb2 O28 139.7(2) . .
O17 Tb2 O29 80.36(19) . .
O3 Tb2 O29 141.07(19) . .
O4 Tb2 O29 74.70(18) 2_484 .
O27 Tb2 O29 71.5(2) . .
O28 Tb2 O29 68.27(19) . .
O17 Tb2 O8 129.94(16) . .
O3 Tb2 O8 71.56(18) . .
O4 Tb2 O8 75.48(16) 2_484 .
O27 Tb2 O8 80.1(2) . .
O28 Tb2 O8 133.43(16) . .
O29 Tb2 O8 140.82(16) . .
O17 Tb2 O7 78.10(16) . .
O3 Tb2 O7 75.55(18) . .
O4 Tb2 O7 125.65(16) 2_484 .
O27 Tb2 O7 74.6(2) . .
O28 Tb2 O7 140.35(17) . .
O29 Tb2 O7 137.26(17) . .
O8 Tb2 O7 52.54(14) . .
O17 Tb2 C28 103.86(17) . .
O3 Tb2 C28 70.24(19) . .
O4 Tb2 C28 101.05(18) 2_484 .
O27 Tb2 C28 77.2(2) . .
O28 Tb2 C28 143.00(19) . .
O29 Tb2 C28 148.69(19) . .
O8 Tb2 C28 26.29(15) . .
O7 Tb2 C28 26.31(15) . .
O21 Tb3 O13 75.45(18) 2_594 .
O21 Tb3 O22 121.92(17) 2_594 1_554
O13 Tb3 O22 75.23(18) . 1_554
O21 Tb3 O14 77.38(16) 2_594 2_593
O13 Tb3 O14 124.90(15) . 2_593
O22 Tb3 O14 80.14(17) 1_554 2_593
O21 Tb3 O30 146.71(19) 2_594 .
O13 Tb3 O30 137.21(19) . .
O22 Tb3 O30 72.91(19) 1_554 .
O14 Tb3 O30 76.41(17) 2_593 .
O21 Tb3 O5 85.91(17) 2_594 .
O13 Tb3 O5 78.15(19) . .
O22 Tb3 O5 133.81(16) 1_554 .
O14 Tb3 O5 145.49(17) 2_593 .
O30 Tb3 O5 104.7(2) . .
O21 Tb3 O31 80.83(19) 2_594 .
O13 Tb3 O31 142.16(19) . .
O22 Tb3 O31 142.57(19) 1_554 .
O14 Tb3 O31 76.55(17) 2_593 .
O30 Tb3 O31 73.4(2) . .
O5 Tb3 O31 71.07(19) . .
O21 Tb3 O6 133.13(16) 2_594 .
O13 Tb3 O6 75.53(16) . .
O22 Tb3 O6 84.38(16) 1_554 .
O14 Tb3 O6 149.19(15) 2_593 .
O30 Tb3 O6 73.62(17) . .
O5 Tb3 O6 52.52(16) . .
O31 Tb3 O6 101.29(18) . .
O21 Tb3 C15 109.47(18) 2_594 .
O13 Tb3 C15 74.16(17) . .
O22 Tb3 C15 109.00(19) 1_554 .
O14 Tb3 C15 160.89(17) 2_593 .
O30 Tb3 C15 90.03(19) . .
O5 Tb3 C15 26.27(18) . .
O31 Tb3 C15 86.80(19) . .
O6 Tb3 C15 26.30(18) . .
O19 Tb4 O20 105.81(17) . 2_485
O19 Tb4 O12 85.07(18) . 2_584
O20 Tb4 O12 153.07(17) 2_485 2_584
O19 Tb4 O33 140.40(19) . .
O20 Tb4 O33 80.33(17) 2_485 .
O12 Tb4 O33 76.01(18) 2_584 .
O19 Tb4 O15 79.99(18) . 2_494
O20 Tb4 O15 125.92(17) 2_485 2_494
O12 Tb4 O15 79.72(16) 2_584 2_494
O33 Tb4 O15 128.64(18) . 2_494
O19 Tb4 O32 146.9(2) . .
O20 Tb4 O32 77.0(2) 2_485 .
O12 Tb4 O32 107.4(2) 2_584 .
O33 Tb4 O32 72.6(2) . .
O15 Tb4 O32 72.6(2) 2_494 .
O19 Tb4 O34 72.51(16) . .
O20 Tb4 O34 76.83(18) 2_485 .
O12 Tb4 O34 83.41(17) 2_584 .
O33 Tb4 O34 71.01(18) . .
O15 Tb4 O34 148.78(18) 2_494 .
O32 Tb4 O34 138.00(19) . .
O19 Tb4 O16 74.21(17) . 2_494
O20 Tb4 O16 76.53(16) 2_485 2_494
O12 Tb4 O16 130.40(15) 2_584 2_494
O33 Tb4 O16 143.21(18) . 2_494
O15 Tb4 O16 52.88(14) 2_494 2_494
O32 Tb4 O16 74.5(2) . 2_494
O34 Tb4 O16 129.09(15) . 2_494
O19 Tb4 C44 76.24(19) . 2_494
O20 Tb4 C44 101.26(18) 2_485 2_494
O12 Tb4 C44 105.29(17) 2_584 2_494
O33 Tb4 C44 142.1(2) . 2_494
O15 Tb4 C44 26.35(16) 2_494 2_494
O32 Tb4 C44 71.0(2) . 2_494
O34 Tb4 C44 146.68(17) . 2_494
O16 Tb4 C44 26.54(15) 2_494 2_494
C13 O1 Eu1 168.1(4) . 2_594
C13 O1 Tb1 168.1(4) . 2_594
Eu1 O1 Tb1 0.00(2) 2_594 2_594
C13 O1 Tb1 84.7(4) . .
Eu1 O1 Tb1 102.42(15) 2_594 .
Tb1 O1 Tb1 102.42(15) 2_594 .
C13 O2 Tb1 104.6(4) . .
C14 O3 Tb2 155.0(5) . .
C14 O4 Eu2 130.0(4) . 2_484
C14 O4 Tb2 130.0(4) . 2_484
Eu2 O4 Tb2 0.00(2) 2_484 2_484
C15 O5 Tb3 93.4(4) . .
C15 O6 Tb3 92.9(4) . .
C28 O7 Tb2 92.6(4) . .
C28 O8 Tb2 94.1(4) . .
C29 O9 Eu1 135.5(4) . 1_545
C29 O9 Tb1 135.5(4) . 1_545
Eu1 O9 Tb1 0.000(9) 1_545 1_545
C29 O10 Eu1 139.0(4) . 2_584
C29 O10 Tb1 139.0(4) . 2_584
Eu1 O10 Tb1 0.000(17) 2_584 2_584
C30 O12 Eu4 138.7(4) . 2_584
C30 O12 Tb4 138.7(4) . 2_584
Eu4 O12 Tb4 0.000(12) 2_584 2_584
C43 O13 Tb3 145.2(4) . .
C43 O14 Eu3 140.1(4) . 2_593
C43 O14 Tb3 140.1(4) . 2_593
Eu3 O14 Tb3 0.000(7) 2_593 2_593
C44 O15 Eu4 93.5(4) . 2_494
C44 O15 Tb4 93.5(4) . 2_494
Eu4 O15 Tb4 0.00(2) 2_494 2_494
C44 O16 Eu4 92.0(4) . 2_494
C44 O16 Tb4 92.0(4) . 2_494
Eu4 O16 Tb4 0.000(15) 2_494 2_494
C45 O17 Tb2 140.1(4) . .
C58 O19 Tb4 173.3(5) . .
C58 O20 Eu4 133.1(4) . 2_485
C58 O20 Tb4 133.1(4) . 2_485
Eu4 O20 Tb4 0.000(12) 2_485 2_485
C59 O21 Eu3 173.4(5) . 2_594
C59 O21 Tb3 173.4(5) . 2_594
Eu3 O21 Tb3 0.000(16) 2_594 2_594
C59 O22 Eu3 118.8(4) . 1_556
C59 O22 Tb3 118.8(4) . 1_556
Eu3 O22 Tb3 0.000(14) 1_556 1_556
C60 O23 Tb1 92.4(4) . .
C60 O24 Tb1 92.8(4) . .
Tb1 O25 H25A 126(2) . .
Tb1 O25 H25B 128(2) . .
H25A O25 H25B 102(2) . .
Tb1 O26 H26A 129(2) . .
Tb1 O26 H26B 129(2) . .
H26A O26 H26B 101.2(17) . .
C61 O27 Tb2 160.0(16) . .
Tb2 O28 H28A 123(2) . .
Tb2 O28 H28B 121(2) . .
H28A O28 H28B 107(3) . .
Tb2 O29 H29A 128(2) . .
Tb2 O29 H29B 128(2) . .
H29A O29 H29B 103(2) . .
C64 O30 Tb3 125.3(6) . .
Tb3 O31 H31A 127(2) . .
Tb3 O31 H31B 128(2) . .
H31A O31 H31B 102(2) . .
Tb4 O32 H32A 124(2) . .
Tb4 O32 H32B 123(2) . .
H32A O32 H32B 107(3) . .
Tb4 O33 H33A 122(2) . .
Tb4 O33 H33B 122(2) . .
H33A O33 H33B 105(3) . .
Tb4 O34 H34A 128(2) . .
Tb4 O34 H34B 128(2) . .
H34A O34 H34B 103(2) . .
C2 C1 C6 120.3(6) . .
C2 C1 C13 118.6(5) . .
C6 C1 C13 121.1(5) . .
C3 C2 C1 119.6(5) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C4 C3 C2 120.5(6) . .
C4 C3 C14 120.4(6) . .
C2 C3 C14 119.1(5) . .
C3 C4 C5 120.9(6) . .
C3 C4 H4 119.5 . .
C5 C4 H4 119.5 . .
C6 C5 C4 118.0(6) . .
C6 C5 C7 122.3(6) . .
C4 C5 C7 119.7(6) . .
C1 C6 C5 120.6(6) . .
C1 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C12 C7 C8 117.1(6) . .
C12 C7 C5 121.9(6) . .
C8 C7 C5 120.9(6) . .
C9 C8 C7 119.7(7) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C10 C9 C8 122.3(7) . .
C10 C9 H9 118.8 . .
C8 C9 H9 118.8 . .
C9 C10 C11 117.7(6) . .
C9 C10 C15 120.7(6) . .
C11 C10 C15 121.4(6) . .
C12 C11 C10 120.1(7) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C7 C12 C11 122.5(7) . .
C7 C12 H12 118.7 . .
C11 C12 H12 118.7 . .
O2 C13 O1 121.7(6) . .
O2 C13 C1 117.4(5) . .
O1 C13 C1 120.9(5) . .
O2 C13 Tb1 51.4(3) . .
O1 C13 Tb1 70.5(3) . .
C1 C13 Tb1 167.9(4) . .
O4 C14 O3 123.0(6) . .
O4 C14 C3 118.8(6) . .
O3 C14 C3 118.2(5) . .
O4 C14 Eu2 33.1(3) . 2_484
O3 C14 Eu2 90.0(4) . 2_484
C3 C14 Eu2 151.4(4) . 2_484
O5 C15 O6 121.0(6) . .
O5 C15 C10 119.3(6) . .
O6 C15 C10 119.7(6) . .
O5 C15 Tb3 60.3(3) . .
O6 C15 Tb3 60.8(3) . .
C10 C15 Tb3 174.8(5) . .
C17 C16 C21 118.9(6) . .
C17 C16 C28 120.8(5) . .
C21 C16 C28 120.3(5) . .
C16 C17 C18 120.3(6) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C19 C18 C17 119.6(6) . .
C19 C18 C29 120.3(6) . .
C17 C18 C29 120.0(5) . .
C18 C19 C20 121.3(6) . .
C18 C19 H19 119.4 . .
C20 C19 H19 119.4 . .
C21 C20 C19 117.9(6) . .
C21 C20 C22 121.9(6) . .
C19 C20 C22 120.0(6) . .
C20 C21 C16 122.1(6) . .
C20 C21 H21 118.9 . .
C16 C21 H21 118.9 . .
C27 C22 C23 117.9(6) . .
C27 C22 C20 121.8(6) . .
C23 C22 C20 120.3(6) . .
C22 C23 C24 121.5(7) . .
C22 C23 H23 119.2 . .
C24 C23 H23 119.2 . .
C25 C24 C23 120.0(7) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C26 C25 C24 118.7(6) . .
C26 C25 C30 121.4(6) . .
C24 C25 C30 119.9(6) . .
C25 C26 C27 120.7(6) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C22 C27 C26 121.2(7) . .
C22 C27 H27 119.4 . .
C26 C27 H27 119.4 . .
O7 C28 O8 120.5(6) . .
O7 C28 C16 119.7(5) . .
O8 C28 C16 119.7(5) . .
O7 C28 Tb2 61.1(3) . .
O8 C28 Tb2 59.6(3) . .
C16 C28 Tb2 172.7(5) . .
O9 C29 O10 127.2(6) . .
O9 C29 C18 117.3(6) . .
O10 C29 C18 115.5(5) . .
O11 C30 O12 123.8(6) . .
O11 C30 C25 119.7(6) . .
O12 C30 C25 116.5(6) . .
C36 C31 C32 119.2(6) . .
C36 C31 C43 119.7(5) . .
C32 C31 C43 121.1(5) . .
C31 C32 C33 120.5(5) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C34 C33 C32 119.4(6) . .
C34 C33 C44 119.6(6) . .
C32 C33 C44 121.0(5) . .
C33 C34 C35 121.7(6) . .
C33 C34 H34 119.2 . .
C35 C34 H34 119.2 . .
C34 C35 C36 117.6(6) . .
C34 C35 C37 120.6(6) . .
C36 C35 C37 121.7(6) . .
C31 C36 C35 121.6(6) . .
C31 C36 H36 119.2 . .
C35 C36 H36 119.2 . .
C38 C37 C42 117.3(6) . .
C38 C37 C35 120.2(6) . .
C42 C37 C35 122.5(6) . .
C37 C38 C39 121.1(7) . .
C37 C38 H38 119.5 . .
C39 C38 H38 119.5 . .
C40 C39 C38 120.9(7) . .
C40 C39 H39 119.6 . .
C38 C39 H39 119.6 . .
C39 C40 C41 119.2(6) . .
C39 C40 C45 119.7(6) . .
C41 C40 C45 121.0(6) . .
C40 C41 C42 119.6(7) . .
C40 C41 H41 120.2 . .
C42 C41 H41 120.2 . .
C37 C42 C41 122.0(7) . .
C37 C42 H42 119.0 . .
C41 C42 H42 119.0 . .
O13 C43 O14 124.4(6) . .
O13 C43 C31 117.8(5) . .
O14 C43 C31 117.8(5) . .
O15 C44 O16 121.5(6) . .
O15 C44 C33 119.2(5) . .
O16 C44 C33 119.3(6) . .
O15 C44 Eu4 60.1(3) . 2_494
O16 C44 Eu4 61.4(3) . 2_494
C33 C44 Eu4 178.6(5) . 2_494
O15 C44 Tb4 60.1(3) . 2_494
O16 C44 Tb4 61.4(3) . 2_494
C33 C44 Tb4 178.6(5) . 2_494
Eu4 C44 Tb4 0.000(16) 2_494 2_494
O18 C45 O17 124.6(6) . .
O18 C45 C40 119.4(6) . .
O17 C45 C40 116.0(6) . .
C47 C46 C51 119.5(5) . .
C47 C46 C58 119.5(5) . .
C51 C46 C58 121.0(5) . .
C46 C47 C48 120.7(5) . .
C46 C47 H47 119.6 . .
C48 C47 H47 119.6 . .
C49 C48 C47 119.1(6) . .
C49 C48 C59 121.0(5) . .
C47 C48 C59 119.9(5) . .
C48 C49 C50 121.5(6) . .
C48 C49 H49 119.3 . .
C50 C49 H49 119.3 . .
C51 C50 C49 118.6(6) . .
C51 C50 C52 120.5(6) . .
C49 C50 C52 120.9(5) . .
C50 C51 C46 120.6(6) . .
C50 C51 H51 119.7 . .
C46 C51 H51 119.7 . .
C53 C52 C57 117.4(6) . .
C53 C52 C50 122.1(6) . .
C57 C52 C50 120.5(6) . .
C52 C53 C54 122.1(7) . .
C52 C53 H53 118.9 . .
C54 C53 H53 118.9 . .
C53 C54 C55 120.3(7) . .
C53 C54 H54 119.9 . .
C55 C54 H54 119.9 . .
C56 C55 C54 119.1(6) . .
C56 C55 C60 119.6(6) . .
C54 C55 C60 121.3(6) . .
C55 C56 C57 120.3(7) . .
C55 C56 H56 119.9 . .
C57 C56 H56 119.9 . .
C52 C57 C56 120.9(7) . .
C52 C57 H57 119.6 . .
C56 C57 H57 119.6 . .
O19 C58 O20 123.7(6) . .
O19 C58 C46 119.7(5) . .
O20 C58 C46 116.6(5) . .
O21 C59 O22 123.6(6) . .
O21 C59 C48 118.4(6) . .
O22 C59 C48 118.0(5) . .
O21 C59 Eu3 83.9(4) . 1_556
O22 C59 Eu3 41.1(3) . 1_556
C48 C59 Eu3 154.2(4) . 1_556
O23 C60 O24 122.0(6) . .
O23 C60 C55 119.4(6) . .
O24 C60 C55 118.6(6) . .
O23 C60 Tb1 61.3(3) . .
O24 C60 Tb1 60.8(3) . .
C55 C60 Tb1 176.5(5) . .
C61 N1 C62 116.9(19) . .
C61 N1 C63 116.4(18) . .
C62 N1 C63 124.1(17) . .
C64 N2 C66 118.1(11) . .
C64 N2 C65 119.0(10) . .
C66 N2 C65 122.9(11) . .
O27 C61 N1 140(3) . .
O27 C61 H61 110.2 . .
N1 C61 H61 110.2 . .
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 123.5(10) . .
O30 C64 H64 118.2 . .
N2 C64 H64 118.2 . .
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 123.0(9) . .
C67 N3 C68 118.0(9) . .
C69 N3 C68 118.9(9) . .
O35 C67 N3 123.4(10) . .
O35 C67 H67 118.3 . .
N3 C67 H67 118.3 . .
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 120.5(9) . .
C70 N4 C72 120.0(9) . .
C71 N4 C72 119.4(9) . .
O36 C70 N4 124.4(10) . .
O36 C70 H70 117.8 . .
N4 C70 H70 117.8 . .
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 120.3(8) . .
C73 N5 C74 119.7(9) . .
C75 N5 C74 120.0(9) . .
O37 C73 N5 125.4(10) . .
O37 C73 H73 117.3 . .
N5 C73 H73 117.3 . .
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 117(3) . .
C76 N6 C78 99(3) . .
C77 N6 C78 144(4) . .
N6 C76 O38 116(3) . .
N6 C76 H76 122.2 . .
O38 C76 H76 122.2 . .
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 116(3) . .
C81 N7 C79 108(3) . .
O39 C79 N7 124(3) . .
O39 C79 H79 118.0 . .
N7 C79 H79 118.0 . .
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
Tb1 O1 2.335(4) 2_594
Tb1 O10 2.360(4) 2_584
Tb1 O9 2.380(4) 1_565
Tb1 O2 2.414(5) .
Tb1 O26 2.426(5) .
Tb1 O24 2.462(5) .
Tb1 O25 2.466(6) .
Tb1 O23 2.472(5) .
Tb1 C60 2.816(6) .
Tb1 O1 2.831(5) .
Tb1 C13 2.990(6) .
Tb1 Eu1 4.0386(15) 2_594
Tb2 O17 2.288(4) .
Tb2 O3 2.315(5) .
Tb2 O4 2.322(4) 2_484
Tb2 O27 2.335(6) .
Tb2 O28 2.464(5) .
Tb2 O29 2.468(5) .
Tb2 O8 2.471(4) .
Tb2 O7 2.503(4) .
Tb2 C28 2.856(6) .
Tb3 O21 2.300(4) 2_594
Tb3 O13 2.339(4) .
Tb3 O22 2.396(5) 1_554
Tb3 O14 2.397(4) 2_593
Tb3 O30 2.407(5) .
Tb3 O5 2.449(5) .
Tb3 O31 2.459(5) .
Tb3 O6 2.460(4) .
Tb3 C15 2.814(6) .
Tb4 O19 2.309(5) .
Tb4 O20 2.315(4) 2_485
Tb4 O12 2.321(5) 2_584
Tb4 O33 2.437(5) .
Tb4 O15 2.448(4) 2_494
Tb4 O32 2.450(7) .
Tb4 O34 2.461(5) .
Tb4 O16 2.476(4) 2_494
Tb4 C44 2.818(6) 2_494
O1 C13 1.260(7) .
O1 Eu1 2.335(4) 2_594
O1 Tb1 2.335(4) 2_594
O2 C13 1.259(7) .
O3 C14 1.261(8) .
O4 C14 1.244(7) .
O4 Eu2 2.322(4) 2_484
O4 Tb2 2.322(4) 2_484
O5 C15 1.248(8) .
O6 C15 1.248(8) .
O7 C28 1.268(7) .
O8 C28 1.268(7) .
O9 C29 1.250(7) .
O9 Eu1 2.380(4) 1_545
O9 Tb1 2.380(4) 1_545
O10 C29 1.254(8) .
O10 Eu1 2.360(4) 2_584
O10 Tb1 2.360(4) 2_584
O11 C30 1.250(8) .
O12 C30 1.274(8) .
O12 Eu4 2.321(5) 2_584
O12 Tb4 2.321(5) 2_584
O13 C43 1.243(7) .
O14 C43 1.269(7) .
O14 Eu3 2.397(4) 2_593
O14 Tb3 2.397(4) 2_593
O15 C44 1.253(8) .
O15 Eu4 2.448(4) 2_494
O15 Tb4 2.448(4) 2_494
O16 C44 1.260(7) .
O16 Eu4 2.476(4) 2_494
O16 Tb4 2.476(4) 2_494
O17 C45 1.263(8) .
O18 C45 1.233(8) .
O19 C58 1.236(8) .
O20 C58 1.250(7) .
O20 Eu4 2.315(4) 2_485
O20 Tb4 2.315(4) 2_485
O21 C59 1.247(7) .
O21 Eu3 2.300(4) 2_594
O21 Tb3 2.300(4) 2_594
O22 C59 1.256(8) .
O22 Eu3 2.396(5) 1_556
O22 Tb3 2.396(5) 1_556
O23 C60 1.249(9) .
O24 C60 1.252(8) .
O25 H25A 1.025(19) .
O25 H25B 1.013(19) .
O26 H26A 1.024(17) .
O26 H26B 1.024(17) .
O27 C61 1.05(2) .
O28 H28A 0.99(2) .
O28 H28B 1.00(2) .
O29 H29A 1.012(18) .
O29 H29B 1.011(18) .
O30 C64 1.281(12) .
O31 H31A 1.021(19) .
O31 H31B 1.016(19) .
O32 H32A 0.99(2) .
O32 H32B 0.99(2) .
O33 H33A 1.01(2) .
O33 H33B 1.01(2) .
O34 H34A 1.015(18) .
O34 H34B 1.015(18) .
C1 C2 1.386(8) .
C1 C6 1.393(8) .
C1 C13 1.508(9) .
C2 C3 1.385(8) .
C2 H2 0.9300 .
C3 C4 1.374(8) .
C3 C14 1.503(8) .
C4 C5 1.412(9) .
C4 H4 0.9300 .
C5 C6 1.394(9) .
C5 C7 1.490(8) .
C6 H6 0.9300 .
C7 C12 1.370(10) .
C7 C8 1.407(10) .
C8 C9 1.386(10) .
C8 H8 0.9300 .
C9 C10 1.368(10) .
C9 H9 0.9300 .
C10 C11 1.387(10) .
C10 C15 1.500(8) .
C11 C12 1.383(9) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C14 Eu2 3.263(6) 2_484
C16 C17 1.382(8) .
C16 C21 1.390(9) .
C16 C28 1.488(9) .
C17 C18 1.400(9) .
C17 H17 0.9300 .
C18 C19 1.376(9) .
C18 C29 1.525(8) .
C19 C20 1.398(9) .
C19 H19 0.9300 .
C20 C21 1.383(9) .
C20 C22 1.499(9) .
C21 H21 0.9300 .
C22 C27 1.374(10) .
C22 C23 1.385(10) .
C23 C24 1.390(10) .
C23 H23 0.9300 .
C24 C25 1.383(10) .
C24 H24 0.9300 .
C25 C26 1.381(10) .
C25 C30 1.497(9) .
C26 C27 1.390(10) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C31 C36 1.381(8) .
C31 C32 1.388(8) .
C31 C43 1.504(8) .
C32 C33 1.389(9) .
C32 H32 0.9300 .
C33 C34 1.383(9) .
C33 C44 1.499(9) .
C34 C35 1.388(9) .
C34 H34 0.9300 .
C35 C36 1.402(9) .
C35 C37 1.481(8) .
C36 H36 0.9300 .
C37 C38 1.385(9) .
C37 C42 1.392(10) .
C38 C39 1.391(9) .
C38 H38 0.9300 .
C39 C40 1.378(10) .
C39 H39 0.9300 .
C40 C41 1.380(10) .
C40 C45 1.515(9) .
C41 C42 1.394(9) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C44 Eu4 2.818(6) 2_494
C44 Tb4 2.818(6) 2_494
C46 C47 1.381(8) .
C46 C51 1.401(8) .
C46 C58 1.493(8) .
C47 C48 1.392(8) .
C47 H47 0.9300 .
C48 C49 1.379(8) .
C48 C59 1.491(9) .
C49 C50 1.398(9) .
C49 H49 0.9300 .
C50 C51 1.388(8) .
C50 C52 1.486(8) .
C51 H51 0.9300 .
C52 C53 1.375(10) .
C52 C57 1.388(9) .
C53 C54 1.377(9) .
C53 H53 0.9300 .
C54 C55 1.381(10) .
C54 H54 0.9300 .
C55 C56 1.369(10) .
C55 C60 1.504(8) .
C56 C57 1.401(9) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C59 Eu3 3.197(6) 1_556
N1 C61 1.34(2) .
N1 C62 1.43(2) .
N1 C63 1.51(2) .
N2 C64 1.340(13) .
N2 C66 1.444(16) .
N2 C65 1.478(14) .
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 1.241(11) .
N3 C67 1.328(12) .
N3 C69 1.422(13) .
N3 C68 1.449(14) .
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 1.232(11) .
N4 C70 1.309(12) .
N4 C71 1.467(13) .
N4 C72 1.468(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 1.234(11) .
N5 C73 1.316(11) .
N5 C75 1.407(12) .
N5 C74 1.443(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 1.54(3) .
N6 C76 1.381(18) .
N6 C77 1.386(18) .
N6 C78 1.422(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 1.428(18) .
N7 C80 1.428(19) .
N7 C81 1.450(19) .
N7 C79 1.458(19) .
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 1.013(19) 1.69(4) 2.685(8) 167(13) 2_494
O26 H26A O36 1.024(17) 1.81(11) 2.763(9) 154(21) 2_585
O26 H26B O37 1.024(17) 1.96(15) 2.818(9) 140(18) 1_474
O28 H28A O8 0.99(2) 2.39(18) 2.876(7) 109(13) 2_484
O28 H28B O18 1.00(2) 1.94(8) 2.708(7) 132(8) .
O29 H29A O36 1.012(18) 1.76(8) 2.736(9) 160(21) 1_464
O31 H31A O35 1.021(19) 1.94(14) 2.795(8) 140(17) 2_674
O31 H31B O11 1.016(19) 1.89(8) 2.847(7) 156(18) .
O32 H32B O2W 0.99(2) 2.20(8) 3.106(12) 151(13) 2_575
O33 H33A O11 1.01(2) 2.06(16) 2.672(7) 117(13) 2_584
O33 H33B O2W 1.01(2) 1.85(11) 2.762(12) 149(18) 2_575
O34 H34A O16 1.015(18) 1.87(11) 2.791(6) 149(18) 1_546
O34 H34B O35 1.015(18) 1.86(10) 2.814(8) 155(19) 1_465
