#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/51/7035102.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_7035102
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 Eu0.31 N7 O42 Tb3.69'
_chemical_formula_sum            'C81 H99 Eu0.31 N7 O42 Tb3.69'
_chemical_formula_weight         2476.19
_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                75.69(3)
_cell_angle_beta                 79.38(3)
_cell_angle_gamma                85.69(3)
_cell_formula_units_Z            2
_cell_length_a                   12.955(3)
_cell_length_b                   13.814(3)
_cell_length_c                   27.962(6)
_cell_measurement_reflns_used    16760
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.52
_cell_volume                     4763(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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0255
_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            27051
_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    3.001
_exptl_absorpt_correction_T_max  0.5518
_exptl_absorpt_correction_T_min  0.5057
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2459
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.914
_refine_diff_density_min         -1.194
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1075
_refine_ls_number_reflns         16760
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0377
_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)+(0.0522P)²+8.9954P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                13776
_reflns_number_total             16760
_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        4763.3(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035102
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 -0.12009(2) 2.02124(2) -0.446157(9) 0.01984(8) Uani 0.92 1 d P
Tb2 Tb -0.52891(2) 1.53755(2) -0.585077(10) 0.02151(8) Uani 0.92 1 d P
Tb3 Tb 0.03100(2) 1.87493(2) -0.939656(9) 0.01928(8) Uani 0.92 1 d P
Tb4 Tb -0.48374(2) 1.48066(2) -0.085803(10) 0.02065(8) Uani 0.92 1 d P
Eu1 Eu -0.12009(2) 2.02124(2) -0.446157(9) 0.01984(8) Uani 0.08 1 d PD
Eu2 Eu -0.52891(2) 1.53755(2) -0.585077(10) 0.02151(8) Uani 0.08 1 d PD
Eu3 Eu 0.03100(2) 1.87493(2) -0.939656(9) 0.01928(8) Uani 0.08 1 d PD
Eu4 Eu -0.48374(2) 1.48066(2) -0.085803(10) 0.02065(8) Uani 0.08 1 d PD
O1 O -0.0532(3) 1.9310(3) -0.52833(15) 0.0316(10) Uani 1 1 d .
O2 O -0.2004(3) 1.8997(4) -0.47452(16) 0.0343(10) Uani 1 1 d .
O3 O -0.4007(4) 1.5674(4) -0.54412(17) 0.0418(12) Uani 1 1 d .
O4 O -0.3762(4) 1.5901(3) -0.47165(15) 0.0362(11) Uani 1 1 d .
O5 O 0.0457(4) 1.8888(4) -0.85593(16) 0.0488(14) Uani 1 1 d .
O6 O -0.0684(4) 1.7848(3) -0.85977(15) 0.0397(12) Uani 1 1 d .
O7 O -0.3617(3) 1.5162(3) -0.64225(16) 0.0347(11) Uani 1 1 d .
O8 O -0.4053(3) 1.3916(3) -0.57669(15) 0.0300(10) Uani 1 1 d .
O9 O -0.1318(3) 1.1343(3) -0.52418(14) 0.0317(10) Uani 1 1 d .
O10 O 0.0191(3) 1.1258(3) -0.57748(15) 0.0316(10) Uani 1 1 d .
O11 O 0.2604(4) 1.6593(4) -0.85326(18) 0.0458(13) Uani 1 1 d .
O12 O 0.3266(3) 1.5077(3) -0.85865(16) 0.0382(11) Uani 1 1 d .
O13 O -0.1104(3) 1.9824(3) -0.92225(15) 0.0330(10) Uani 1 1 d .
O14 O -0.1235(3) 2.1269(3) -0.97865(14) 0.0313(10) Uani 1 1 d .
O15 O -0.4944(4) 2.3525(3) -0.86139(16) 0.0393(12) Uani 1 1 d .
O16 O -0.3870(3) 2.3874(3) -0.93352(14) 0.0310(10) Uani 1 1 d .
O17 O -0.5102(4) 1.6936(3) -0.63675(16) 0.0390(11) Uani 1 1 d .
O18 O -0.5557(5) 1.8143(4) -0.59633(19) 0.0616(17) Uani 1 1 d .
O19 O -0.4032(4) 1.5721(3) -0.04575(17) 0.0366(11) Uani 1 1 d .
O20 O -0.3888(3) 1.6072(3) 0.02515(15) 0.0355(11) Uani 1 1 d .
O21 O -0.0994(4) 1.9693(3) -0.03356(16) 0.0357(11) Uani 1 1 d .
O22 O -0.1058(4) 1.8273(3) 0.02492(15) 0.0345(10) Uani 1 1 d .
O23 O -0.2210(4) 1.9344(5) -0.36512(17) 0.0551(15) Uani 1 1 d .
O24 O -0.0876(4) 2.0185(4) -0.36231(15) 0.0432(12) Uani 1 1 d .
O25 O -0.3086(4) 2.0591(5) -0.4445(2) 0.0615(16) Uani 1 1 d D
O26 O -0.1450(5) 2.1877(4) -0.43194(19) 0.0549(15) Uani 1 1 d D
O27 O -0.5741(5) 1.4610(5) -0.64383(19) 0.0604(16) Uani 1 1 d .
O28 O -0.6100(4) 1.6421(4) -0.52809(16) 0.0426(12) Uani 1 1 d D
O29 O -0.7140(4) 1.5811(4) -0.59275(19) 0.0449(12) Uani 1 1 d D
O30 O 0.0588(4) 1.6996(4) -0.93720(19) 0.0497(13) Uani 1 1 d .
O31 O 0.2116(4) 1.8325(4) -0.92636(18) 0.0492(13) Uani 1 1 d D
O32 O -0.6244(6) 1.4742(5) -0.1317(2) 0.0724(19) Uani 1 1 d D
O33 O -0.4646(4) 1.3220(4) -0.10981(19) 0.0465(13) Uani 1 1 d D
O34 O -0.3822(4) 1.3625(3) -0.03008(16) 0.0370(11) Uani 1 1 d D
C1 C -0.1744(4) 1.8232(5) -0.5430(2) 0.0245(13) Uani 1 1 d .
C2 C -0.2497(4) 1.7530(4) -0.5189(2) 0.0238(12) Uani 1 1 d .
H2 H -0.2769 1.7465 -0.4852 0.029 Uiso 1 1 calc R
C3 C -0.2846(4) 1.6921(4) -0.5454(2) 0.0232(12) Uani 1 1 d .
C4 C -0.2476(5) 1.7052(5) -0.5958(2) 0.0264(13) Uani 1 1 d .
H4 H -0.2734 1.6664 -0.6136 0.032 Uiso 1 1 calc R
C5 C -0.1709(5) 1.7767(5) -0.6213(2) 0.0290(14) Uani 1 1 d .
C6 C -0.1340(5) 1.8339(5) -0.5938(2) 0.0281(13) Uani 1 1 d .
H6 H -0.0818 1.8796 -0.6094 0.034 Uiso 1 1 calc R
C7 C -0.1340(5) 1.7883(5) -0.6759(2) 0.0300(14) Uani 1 1 d .
C8 C -0.0372(6) 1.8319(7) -0.6989(3) 0.053(2) Uani 1 1 d .
H8 H 0.0050 1.8521 -0.6798 0.064 Uiso 1 1 calc R
C9 C -0.0042(6) 1.8449(7) -0.7507(2) 0.052(2) Uani 1 1 d .
H9 H 0.0594 1.8750 -0.7657 0.062 Uiso 1 1 calc R
C10 C -0.0629(5) 1.8145(5) -0.7794(2) 0.0303(14) Uani 1 1 d .
C11 C -0.1529(6) 1.7625(6) -0.7564(2) 0.0435(18) Uani 1 1 d .
H11 H -0.1906 1.7356 -0.7750 0.052 Uiso 1 1 calc R
C12 C -0.1865(6) 1.7507(6) -0.7054(2) 0.046(2) Uani 1 1 d .
H12 H -0.2473 1.7157 -0.6905 0.056 Uiso 1 1 calc R
C13 C -0.1393(5) 1.8888(5) -0.5139(2) 0.0258(13) Uani 1 1 d .
C14 C -0.3605(4) 1.6119(4) -0.5185(2) 0.0234(12) Uani 1 1 d .
C15 C -0.0263(5) 1.8303(5) -0.8351(2) 0.0302(14) Uani 1 1 d .
C16 C -0.2350(4) 1.3832(5) -0.6258(2) 0.0250(13) Uani 1 1 d .
C17 C -0.2041(5) 1.2983(5) -0.5922(2) 0.0279(13) Uani 1 1 d .
H17 H -0.2495 1.2724 -0.5625 0.033 Uiso 1 1 calc R
C18 C -0.1063(5) 1.2516(5) -0.6023(2) 0.0288(14) Uani 1 1 d .
C19 C -0.0388(5) 1.2925(5) -0.6464(2) 0.0315(15) Uani 1 1 d .
H19 H 0.0267 1.2618 -0.6535 0.038 Uiso 1 1 calc R
C20 C -0.0673(5) 1.3790(5) -0.6804(2) 0.0323(15) Uani 1 1 d .
C21 C -0.1649(5) 1.4225(5) -0.6689(2) 0.0335(15) Uani 1 1 d .
H21 H -0.1844 1.4804 -0.6909 0.040 Uiso 1 1 calc R
C22 C 0.0107(5) 1.4261(5) -0.7248(2) 0.0336(15) Uani 1 1 d .
C23 C 0.0169(6) 1.5293(5) -0.7402(3) 0.047(2) Uani 1 1 d .
H23 H -0.0317 1.5692 -0.7242 0.057 Uiso 1 1 calc R
C24 C 0.0945(6) 1.5741(6) -0.7790(3) 0.050(2) Uani 1 1 d .
H24 H 0.0969 1.6435 -0.7887 0.060 Uiso 1 1 calc R
C25 C 0.1681(5) 1.5169(5) -0.8033(2) 0.0347(16) Uani 1 1 d .
C26 C 0.1603(5) 1.4144(5) -0.7893(2) 0.0394(17) Uani 1 1 d .
H26 H 0.2072 1.3747 -0.8062 0.047 Uiso 1 1 calc R
C27 C 0.0828(5) 1.3696(5) -0.7502(2) 0.0397(17) Uani 1 1 d .
H27 H 0.0796 1.3003 -0.7410 0.048 Uiso 1 1 calc R
C28 C -0.3401(5) 1.4327(5) -0.6146(2) 0.0266(13) Uani 1 1 d .
C29 C -0.0696(5) 1.1624(4) -0.5649(2) 0.0255(13) Uani 1 1 d .
C30 C 0.2569(5) 1.5653(5) -0.8416(2) 0.0343(15) Uani 1 1 d .
C31 C -0.2375(5) 2.1025(5) -0.8999(2) 0.0269(13) Uani 1 1 d .
C32 C -0.2849(5) 2.1973(4) -0.9122(2) 0.0259(13) Uani 1 1 d .
H32 H -0.2615 2.2407 -0.9429 0.031 Uiso 1 1 calc R
C33 C -0.3664(5) 2.2269(5) -0.8790(2) 0.0273(13) Uani 1 1 d .
C34 C -0.4008(5) 2.1623(5) -0.8331(2) 0.0298(14) Uani 1 1 d .
H34 H -0.4551 2.1830 -0.8107 0.036 Uiso 1 1 calc R
C35 C -0.3557(5) 2.0674(5) -0.8201(2) 0.0298(14) Uani 1 1 d .
C36 C -0.2733(5) 2.0379(5) -0.8539(2) 0.0287(14) Uani 1 1 d .
H36 H -0.2421 1.9745 -0.8456 0.034 Uiso 1 1 calc R
C37 C -0.3986(5) 1.9961(5) -0.7722(2) 0.0303(14) Uani 1 1 d .
C38 C -0.4006(6) 1.8957(5) -0.7702(2) 0.0395(17) Uani 1 1 d .
H38 H -0.3747 1.8726 -0.7988 0.047 Uiso 1 1 calc R
C39 C -0.4409(6) 1.8279(5) -0.7257(2) 0.0406(17) Uani 1 1 d .
H39 H -0.4418 1.7603 -0.7251 0.049 Uiso 1 1 calc R
C40 C -0.4795(5) 1.8602(5) -0.6824(2) 0.0328(15) Uani 1 1 d .
C41 C -0.4775(6) 1.9606(5) -0.6847(3) 0.048(2) Uani 1 1 d .
H41 H -0.5036 1.9837 -0.6561 0.057 Uiso 1 1 calc R
C42 C -0.4378(6) 2.0280(5) -0.7283(3) 0.048(2) Uani 1 1 d .
H42 H -0.4371 2.0954 -0.7287 0.057 Uiso 1 1 calc R
C43 C -0.1503(5) 2.0684(5) -0.9361(2) 0.0262(13) Uani 1 1 d .
C44 C -0.4187(5) 2.3278(5) -0.8920(2) 0.0271(13) Uani 1 1 d .
C45 C -0.5193(5) 1.7838(5) -0.6348(2) 0.0366(16) Uani 1 1 d .
C46 C -0.3009(4) 1.7078(4) -0.0482(2) 0.0210(12) Uani 1 1 d .
C47 C -0.2480(4) 1.7534(4) -0.0212(2) 0.0229(12) Uani 1 1 d .
H47 H -0.2542 1.7293 0.0133 0.027 Uiso 1 1 calc R
C48 C -0.1858(5) 1.8349(4) -0.0453(2) 0.0247(13) Uani 1 1 d .
C49 C -0.1771(5) 1.8705(5) -0.0964(2) 0.0273(13) Uani 1 1 d .
H49 H -0.1383 1.9270 -0.1123 0.033 Uiso 1 1 calc R
C50 C -0.2252(5) 1.8236(5) -0.1250(2) 0.0282(14) Uani 1 1 d .
C51 C -0.2876(5) 1.7427(5) -0.1005(2) 0.0262(13) Uani 1 1 d .
H51 H -0.3209 1.7111 -0.1190 0.031 Uiso 1 1 calc R
C52 C -0.2105(5) 1.8586(5) -0.1806(2) 0.0316(14) Uani 1 1 d .
C53 C -0.2868(5) 1.8517(6) -0.2073(2) 0.0419(18) Uani 1 1 d .
H53 H -0.3506 1.8246 -0.1902 0.050 Uiso 1 1 calc R
C54 C -0.2723(6) 1.8834(6) -0.2584(2) 0.0454(19) Uani 1 1 d .
H54 H -0.3261 1.8776 -0.2754 0.054 Uiso 1 1 calc R
C55 C -0.1780(5) 1.9240(5) -0.2852(2) 0.0318(15) Uani 1 1 d .
C56 C -0.1006(6) 1.9313(5) -0.2592(2) 0.0385(16) Uani 1 1 d .
H56 H -0.0364 1.9575 -0.2765 0.046 Uiso 1 1 calc R
C57 C -0.1162(5) 1.9003(6) -0.2074(2) 0.0403(18) Uani 1 1 d .
H57 H -0.0631 1.9073 -0.1903 0.048 Uiso 1 1 calc R
C58 C -0.3697(4) 1.6230(4) -0.0213(2) 0.0244(13) Uani 1 1 d .
C59 C -0.1263(4) 1.8809(5) -0.0155(2) 0.0248(13) Uani 1 1 d .
C60 C -0.1608(5) 1.9615(5) -0.3414(2) 0.0324(15) Uani 1 1 d .
N1 N -0.6204(9) 1.3733(9) -0.6929(4) 0.108(3) Uiso 1 1 d .
N2 N 0.1085(7) 1.5669(7) -0.9729(3) 0.077(2) Uiso 1 1 d .
C61 C -0.5594(13) 1.4323(12) -0.6779(6) 0.133(5) Uiso 1 1 d .
H61 H -0.4965 1.4509 -0.6994 0.160 Uiso 1 1 calc R
C62 C -0.7053(16) 1.3196(16) -0.6630(8) 0.198(9) Uiso 1 1 d .
H62A H -0.7353 1.2844 -0.6825 0.297 Uiso 1 1 calc R
H62B H -0.7573 1.3648 -0.6506 0.297 Uiso 1 1 calc R
H62C H -0.6818 1.2726 -0.6354 0.297 Uiso 1 1 calc R
C63 C -0.5714(15) 1.3536(15) -0.7430(7) 0.175(8) Uiso 1 1 d .
H63A H -0.6162 1.3121 -0.7526 0.263 Uiso 1 1 calc R
H63B H -0.5041 1.3204 -0.7406 0.263 Uiso 1 1 calc R
H63C H -0.5627 1.4159 -0.7677 0.263 Uiso 1 1 calc R
C64 C 0.0769(8) 1.6621(8) -0.9751(4) 0.076(3) Uiso 1 1 d .
H64 H 0.0678 1.7029 -1.0060 0.092 Uiso 1 1 calc R
C65 C 0.1386(10) 1.5324(10) -1.0194(4) 0.099(4) Uiso 1 1 d .
H65A H 0.1595 1.4629 -1.0115 0.148 Uiso 1 1 calc R
H65B H 0.1961 1.5705 -1.0404 0.148 Uiso 1 1 calc R
H65C H 0.0798 1.5412 -1.0367 0.148 Uiso 1 1 calc R
C66 C 0.1178(10) 1.5014(10) -0.9244(5) 0.109(4) Uiso 1 1 d .
H66A H 0.1419 1.4361 -0.9286 0.163 Uiso 1 1 calc R
H66B H 0.0504 1.4969 -0.9029 0.163 Uiso 1 1 calc R
H66C H 0.1671 1.5280 -0.9096 0.163 Uiso 1 1 calc R
O35 O 0.6022(5) 0.1531(5) -0.0038(2) 0.0621(15) Uiso 1 1 d .
N3 N 0.5442(5) 0.0169(5) 0.0565(2) 0.0498(16) Uiso 1 1 d .
C67 C 0.5387(7) 0.1135(7) 0.0341(3) 0.066(2) Uiso 1 1 d .
H67 H 0.4852 0.1533 0.0472 0.079 Uiso 1 1 calc R
C68 C 0.4656(10) -0.0198(10) 0.0994(5) 0.110(4) Uiso 1 1 d .
H68A H 0.4789 -0.0898 0.1126 0.165 Uiso 1 1 calc R
H68B H 0.3975 -0.0100 0.0898 0.165 Uiso 1 1 calc R
H68C H 0.4679 0.0158 0.1246 0.165 Uiso 1 1 calc R
C69 C 0.6254(9) -0.0484(9) 0.0414(4) 0.088(3) Uiso 1 1 d .
H69A H 0.6151 -0.1142 0.0628 0.131 Uiso 1 1 calc R
H69B H 0.6919 -0.0250 0.0436 0.131 Uiso 1 1 calc R
H69C H 0.6247 -0.0507 0.0074 0.131 Uiso 1 1 calc R
O36 O 0.2176(5) 0.7495(5) 0.3452(2) 0.0728(18) Uiso 1 1 d .
N4 N 0.2871(5) 0.7724(6) 0.2631(3) 0.0579(18) Uiso 1 1 d .
C70 C 0.2408(8) 0.8018(8) 0.3022(4) 0.074(3) Uiso 1 1 d .
H70 H 0.2229 0.8696 0.2976 0.089 Uiso 1 1 calc R
C71 C 0.3073(9) 0.8420(9) 0.2143(4) 0.097(4) Uiso 1 1 d .
H71A H 0.3416 0.8070 0.1898 0.146 Uiso 1 1 calc R
H71B H 0.3517 0.8935 0.2157 0.146 Uiso 1 1 calc R
H71C H 0.2420 0.8715 0.2053 0.146 Uiso 1 1 calc R
C72 C 0.3228(9) 0.6684(8) 0.2675(4) 0.086(3) Uiso 1 1 d .
H72A H 0.3546 0.6590 0.2351 0.129 Uiso 1 1 calc R
H72B H 0.2639 0.6257 0.2807 0.129 Uiso 1 1 calc R
H72C H 0.3733 0.6520 0.2897 0.129 Uiso 1 1 calc R
O37 O 0.8655(5) 0.3870(5) 0.5102(3) 0.0748(18) Uiso 1 1 d .
N5 N 0.9855(5) 0.4541(5) 0.4430(2) 0.0519(16) Uiso 1 1 d .
C73 C 0.8912(7) 0.4496(7) 0.4709(3) 0.063(2) Uiso 1 1 d .
H73 H 0.8406 0.4973 0.4599 0.076 Uiso 1 1 calc R
C74 C 1.0082(9) 0.5349(9) 0.3993(4) 0.090(3) Uiso 1 1 d .
H74A H 1.0797 0.5280 0.3833 0.136 Uiso 1 1 calc R
H74B H 0.9981 0.5974 0.4090 0.136 Uiso 1 1 calc R
H74C H 0.9619 0.5331 0.3764 0.136 Uiso 1 1 calc R
C75 C 1.0648(8) 0.3826(8) 0.4558(4) 0.079(3) Uiso 1 1 d .
H75A H 1.1276 0.3980 0.4314 0.118 Uiso 1 1 calc R
H75B H 1.0424 0.3175 0.4565 0.118 Uiso 1 1 calc R
H75C H 1.0787 0.3835 0.4882 0.118 Uiso 1 1 calc R
O38 O 0.7097(10) 0.4149(11) 0.2112(5) 0.175(5) Uiso 1 1 d .
N6 N 0.8085(16) 0.2643(15) 0.2214(8) 0.202(7) Uiso 1 1 d .
C76 C 0.721(2) 0.316(2) 0.2471(10) 0.224(11) Uiso 1 1 d .
H76 H 0.6806 0.2923 0.2785 0.268 Uiso 1 1 calc R
C77 C 0.870(2) 0.302(2) 0.1701(11) 0.270(14) Uiso 1 1 d .
H77A H 0.9232 0.2522 0.1628 0.405 Uiso 1 1 calc R
H77B H 0.9036 0.3624 0.1687 0.405 Uiso 1 1 calc R
H77C H 0.8244 0.3143 0.1459 0.405 Uiso 1 1 calc R
C78 C 0.807(2) 0.167(2) 0.2708(10) 0.257(13) Uiso 1 1 d .
H78A H 0.8612 0.1187 0.2630 0.386 Uiso 1 1 calc R
H78B H 0.7399 0.1361 0.2786 0.386 Uiso 1 1 calc R
H78C H 0.8193 0.1889 0.2991 0.386 Uiso 1 1 calc R
O39 O 0.6090(15) 0.2058(14) 0.3343(7) 0.242(7) Uiso 1 1 d D
N7 N 0.5680(17) 0.1234(17) 0.4235(9) 0.232(9) Uiso 1 1 d D
C79 C 0.538(2) 0.195(2) 0.3792(9) 0.282(15) Uiso 1 1 d D
H79 H 0.4741 0.2306 0.3811 0.338 Uiso 1 1 calc R
C80 C 0.5283(19) 0.1482(18) 0.4719(9) 0.235(11) Uiso 1 1 d D
H80A H 0.4701 0.1953 0.4685 0.352 Uiso 1 1 calc R
H80B H 0.5832 0.1770 0.4822 0.352 Uiso 1 1 calc R
H80C H 0.5056 0.0886 0.4966 0.352 Uiso 1 1 calc R
C81 C 0.6568(18) 0.0548(18) 0.4114(9) 0.221(10) Uiso 1 1 d D
H81A H 0.6624 0.0504 0.3773 0.332 Uiso 1 1 calc R
H81B H 0.6450 -0.0104 0.4333 0.332 Uiso 1 1 calc R
H81C H 0.7208 0.0797 0.4158 0.332 Uiso 1 1 calc R
O1W O 0.6456(7) 0.5811(7) 0.2511(3) 0.111(3) Uiso 1 1 d .
O2W O 0.5966(7) 0.7232(7) 0.1675(3) 0.113(3) Uiso 1 1 d .
O3W O 0.7877(10) 0.6843(10) 0.1093(5) 0.174(5) Uiso 1 1 d .
H25A H -0.364(3) 2.013(6) -0.449(7) 0.262 Uiso 1 1 d D
H25B H -0.354(3) 2.109(9) -0.428(6) 0.262 Uiso 1 1 d D
H26A H -0.206(7) 2.217(5) -0.410(6) 0.262 Uiso 1 1 d D
H26B H -0.090(4) 2.242(5) -0.437(6) 0.262 Uiso 1 1 d D
H28A H -0.651(12) 1.616(3) -0.495(3) 0.262 Uiso 1 1 d D
H28B H -0.623(13) 1.715(2) -0.539(2) 0.262 Uiso 1 1 d D
H29A H -0.764(5) 1.626(11) -0.575(5) 0.262 Uiso 1 1 d D
H29B H -0.750(5) 1.578(13) -0.621(4) 0.262 Uiso 1 1 d D
H31A H 0.2792(17) 1.864(9) -0.948(4) 0.262 Uiso 1 1 d D
H31B H 0.240(3) 1.769(6) -0.905(6) 0.262 Uiso 1 1 d D
H32A H -0.699(3) 1.493(14) -0.122(4) 0.262 Uiso 1 1 d D
H32B H -0.620(6) 1.436(12) -0.158(5) 0.262 Uiso 1 1 d D
H33A H -0.395(4) 1.284(7) -0.114(6) 0.262 Uiso 1 1 d D
H33B H -0.503(10) 1.306(6) -0.135(5) 0.262 Uiso 1 1 d D
H34A H -0.347(12) 1.375(4) -0.003(5) 0.262 Uiso 1 1 d D
H34B H -0.380(12) 1.2864(15) -0.022(5) 0.262 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 74.96(15) 2_594 2_584
O1 Tb1 O9 79.67(15) 2_594 1_565
O10 Tb1 O9 133.39(14) 2_584 1_565
O1 Tb1 O2 125.55(15) 2_594 .
O10 Tb1 O2 76.42(16) 2_584 .
O9 Tb1 O2 87.96(16) 1_565 .
O1 Tb1 O26 82.34(19) 2_594 .
O10 Tb1 O26 139.48(18) 2_584 .
O9 Tb1 O26 72.32(16) 1_565 .
O2 Tb1 O26 142.90(18) . .
O1 Tb1 O24 84.29(15) 2_594 .
O10 Tb1 O24 74.46(17) 2_584 .
O9 Tb1 O24 140.77(16) 1_565 .
O2 Tb1 O24 129.82(15) . .
O26 Tb1 O24 70.21(17) . .
O1 Tb1 O25 150.38(19) 2_594 .
O10 Tb1 O25 134.27(18) 2_584 .
O9 Tb1 O25 74.96(19) 1_565 .
O2 Tb1 O25 68.91(18) . .
O26 Tb1 O25 75.6(2) . .
O24 Tb1 O25 106.06(19) . .
O1 Tb1 O23 133.23(15) 2_594 .
O10 Tb1 O23 76.46(17) 2_584 .
O9 Tb1 O23 144.70(16) 1_565 .
O2 Tb1 O23 81.39(16) . .
O26 Tb1 O23 96.66(19) . .
O24 Tb1 O23 52.58(16) . .
O25 Tb1 O23 69.8(2) . .
O1 Tb1 C60 108.66(17) 2_594 .
O10 Tb1 C60 72.70(17) 2_584 .
O9 Tb1 C60 153.56(17) 1_565 .
O2 Tb1 C60 105.51(18) . .
O26 Tb1 C60 83.75(19) . .
O24 Tb1 C60 26.28(17) . .
O25 Tb1 C60 88.6(2) . .
O23 Tb1 C60 26.33(18) . .
O1 Tb1 O1 77.99(15) 2_594 .
O10 Tb1 O1 69.05(14) 2_584 .
O9 Tb1 O1 67.81(14) 1_565 .
O2 Tb1 O1 48.62(13) . .
O26 Tb1 O1 137.93(15) . .
O24 Tb1 O1 142.41(16) . .
O25 Tb1 O1 105.65(17) . .
O23 Tb1 O1 123.76(17) . .
C60 Tb1 O1 137.80(16) . .
O1 Tb1 C13 102.27(16) 2_594 .
O10 Tb1 C13 72.11(16) 2_584 .
O9 Tb1 C13 76.05(16) 1_565 .
O2 Tb1 C13 24.09(15) . .
O26 Tb1 C13 146.65(17) . .
O24 Tb1 C13 142.74(16) . .
O25 Tb1 C13 86.31(18) . .
O23 Tb1 C13 103.16(18) . .
C60 Tb1 C13 124.17(18) . .
O1 Tb1 C13 24.57(14) . .
O1 Tb1 Eu1 43.71(11) 2_594 2_594
O10 Tb1 Eu1 66.29(10) 2_584 2_594
O9 Tb1 Eu1 68.28(10) 1_565 2_594
O2 Tb1 Eu1 82.40(10) . 2_594
O26 Tb1 Eu1 116.60(14) . 2_594
O24 Tb1 Eu1 120.17(13) . 2_594
O25 Tb1 Eu1 133.72(14) . 2_594
O23 Tb1 Eu1 141.91(15) . 2_594
C60 Tb1 Eu1 135.04(14) . 2_594
O1 Tb1 Eu1 34.28(8) . 2_594
C13 Tb1 Eu1 58.66(11) . 2_594
O17 Tb2 O3 90.17(18) . .
O17 Tb2 O4 154.05(17) . 2_484
O3 Tb2 O4 104.38(16) . 2_484
O17 Tb2 O27 96.2(2) . .
O3 Tb2 O27 147.56(19) . .
O4 Tb2 O27 83.04(19) 2_484 .
O17 Tb2 O28 78.70(16) . .
O3 Tb2 O28 72.87(18) . .
O4 Tb2 O28 85.13(16) 2_484 .
O27 Tb2 O28 139.58(19) . .
O17 Tb2 O29 80.29(18) . .
O3 Tb2 O29 141.10(18) . .
O4 Tb2 O29 74.89(17) 2_484 .
O27 Tb2 O29 71.31(18) . .
O28 Tb2 O29 68.30(17) . .
O17 Tb2 O8 130.30(15) . .
O3 Tb2 O8 71.94(17) . .
O4 Tb2 O8 75.27(15) 2_484 .
O27 Tb2 O8 79.84(17) . .
O28 Tb2 O8 133.49(15) . .
O29 Tb2 O8 140.45(16) . .
O17 Tb2 O7 78.32(15) . .
O3 Tb2 O7 75.86(16) . .
O4 Tb2 O7 125.69(16) 2_484 .
O27 Tb2 O7 74.40(18) . .
O28 Tb2 O7 140.78(17) . .
O29 Tb2 O7 136.93(15) . .
O8 Tb2 O7 52.70(13) . .
O17 Tb2 C28 104.08(17) . .
O3 Tb2 C28 70.47(18) . .
O4 Tb2 C28 101.04(17) 2_484 .
O27 Tb2 C28 77.13(19) . .
O28 Tb2 C28 143.21(18) . .
O29 Tb2 C28 148.43(17) . .
O8 Tb2 C28 26.42(15) . .
O7 Tb2 C28 26.36(15) . .
O21 Tb3 O13 75.53(16) 2_594 .
O21 Tb3 O14 77.68(15) 2_594 2_593
O13 Tb3 O14 124.90(15) . 2_593
O21 Tb3 O22 122.07(16) 2_594 1_554
O13 Tb3 O22 75.29(16) . 1_554
O14 Tb3 O22 79.83(15) 2_593 1_554
O21 Tb3 O30 146.76(17) 2_594 .
O13 Tb3 O30 137.14(17) . .
O14 Tb3 O30 76.40(16) 2_593 .
O22 Tb3 O30 72.95(17) 1_554 .
O21 Tb3 O5 85.49(17) 2_594 .
O13 Tb3 O5 77.99(17) . .
O14 Tb3 O5 145.65(16) 2_593 .
O22 Tb3 O5 134.01(16) 1_554 .
O30 Tb3 O5 104.86(19) . .
O21 Tb3 O31 80.55(18) 2_594 .
O13 Tb3 O31 142.05(18) . .
O14 Tb3 O31 76.69(16) 2_593 .
O22 Tb3 O31 142.62(18) 1_554 .
O30 Tb3 O31 73.5(2) . .
O5 Tb3 O31 71.09(18) . .
O21 Tb3 O6 133.06(15) 2_594 .
O13 Tb3 O6 75.54(16) . .
O14 Tb3 O6 148.97(15) 2_593 .
O22 Tb3 O6 84.46(15) 1_554 .
O30 Tb3 O6 73.46(17) . .
O5 Tb3 O6 52.73(15) . .
O31 Tb3 O6 101.34(17) . .
O21 Tb3 C15 109.01(17) 2_594 .
O13 Tb3 C15 73.85(17) . .
O14 Tb3 C15 161.20(17) 2_593 .
O22 Tb3 C15 109.19(17) 1_554 .
O30 Tb3 C15 90.26(18) . .
O5 Tb3 C15 26.25(17) . .
O31 Tb3 C15 86.94(18) . .
O6 Tb3 C15 26.55(17) . .
O19 Tb4 O20 105.65(16) . 2_485
O19 Tb4 O12 84.87(17) . 2_584
O20 Tb4 O12 153.02(17) 2_485 2_584
O19 Tb4 O33 140.54(17) . .
O20 Tb4 O33 80.51(17) 2_485 .
O12 Tb4 O33 76.03(17) 2_584 .
O19 Tb4 O32 146.94(19) . .
O20 Tb4 O32 76.8(2) 2_485 .
O12 Tb4 O32 108.1(2) 2_584 .
O33 Tb4 O32 72.5(2) . .
O19 Tb4 O15 80.21(17) . 2_494
O20 Tb4 O15 126.20(16) 2_485 2_494
O12 Tb4 O15 79.57(15) 2_584 2_494
O33 Tb4 O15 128.12(17) . 2_494
O32 Tb4 O15 72.8(2) . 2_494
O19 Tb4 O34 72.84(16) . .
O20 Tb4 O34 76.50(16) 2_485 .
O12 Tb4 O34 83.33(16) 2_584 .
O33 Tb4 O34 70.91(17) . .
O32 Tb4 O34 137.43(19) . .
O15 Tb4 O34 149.17(17) 2_494 .
O19 Tb4 O16 73.87(16) . 2_494
O20 Tb4 O16 76.72(15) 2_485 2_494
O12 Tb4 O16 130.26(15) 2_584 2_494
O33 Tb4 O16 143.48(16) . 2_494
O32 Tb4 O16 74.75(19) . 2_494
O15 Tb4 O16 53.12(13) 2_494 2_494
O34 Tb4 O16 129.06(14) . 2_494
O19 Tb4 C44 75.91(17) . 2_494
O20 Tb4 C44 101.53(17) 2_485 2_494
O12 Tb4 C44 105.16(17) 2_584 2_494
O33 Tb4 C44 142.20(18) . 2_494
O32 Tb4 C44 71.38(19) . 2_494
O15 Tb4 C44 26.53(15) 2_494 2_494
O34 Tb4 C44 146.71(16) . 2_494
O16 Tb4 C44 26.60(15) 2_494 2_494
C13 O1 Eu1 169.1(4) . 2_594
C13 O1 Tb1 169.1(4) . 2_594
Eu1 O1 Tb1 0.00(2) 2_594 2_594
C13 O1 Tb1 84.2(4) . .
Eu1 O1 Tb1 102.01(14) 2_594 .
Tb1 O1 Tb1 102.01(14) 2_594 .
C13 O2 Tb1 105.2(4) . .
C14 O3 Tb2 155.1(5) . .
C14 O4 Eu2 130.2(4) . 2_484
C14 O4 Tb2 130.2(4) . 2_484
Eu2 O4 Tb2 0.000(18) 2_484 2_484
C15 O5 Tb3 93.5(4) . .
C15 O6 Tb3 92.6(4) . .
C28 O7 Tb2 92.6(3) . .
C28 O8 Tb2 93.4(3) . .
C29 O9 Eu1 135.1(4) . 1_545
C29 O9 Tb1 135.1(4) . 1_545
Eu1 O9 Tb1 0.000(14) 1_545 1_545
C29 O10 Eu1 139.4(4) . 2_584
C29 O10 Tb1 139.4(4) . 2_584
Eu1 O10 Tb1 0.000(15) 2_584 2_584
C30 O12 Eu4 138.5(4) . 2_584
C30 O12 Tb4 138.5(4) . 2_584
Eu4 O12 Tb4 0.00(2) 2_584 2_584
C43 O13 Tb3 144.6(4) . .
C43 O14 Eu3 140.5(4) . 2_593
C43 O14 Tb3 140.5(4) . 2_593
Eu3 O14 Tb3 0.000(14) 2_593 2_593
C44 O15 Eu4 93.9(4) . 2_494
C44 O15 Tb4 93.9(4) . 2_494
Eu4 O15 Tb4 0.000(19) 2_494 2_494
C44 O16 Eu4 92.3(3) . 2_494
C44 O16 Tb4 92.3(3) . 2_494
Eu4 O16 Tb4 0.000(14) 2_494 2_494
C45 O17 Tb2 140.1(4) . .
C58 O19 Tb4 173.5(4) . .
C58 O20 Eu4 133.5(4) . 2_485
C58 O20 Tb4 133.5(4) . 2_485
Eu4 O20 Tb4 0.000(11) 2_485 2_485
C59 O21 Eu3 171.9(4) . 2_594
C59 O21 Tb3 171.9(4) . 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 92.0(4) . .
C60 O24 Tb1 92.9(4) . .
Tb1 O25 H25A 127(2) . .
Tb1 O25 H25B 128(2) . .
H25A O25 H25B 102(2) . .
Tb1 O26 H26A 130(2) . .
Tb1 O26 H26B 129(2) . .
H26A O26 H26B 99(2) . .
C61 O27 Tb2 155.0(11) . .
Tb2 O28 H28A 124(2) . .
Tb2 O28 H28B 124(2) . .
H28A O28 H28B 110(2) . .
Tb2 O29 H29A 128(2) . .
Tb2 O29 H29B 127(2) . .
H29A O29 H29B 103(2) . .
C64 O30 Tb3 125.4(6) . .
Tb3 O31 H31A 128(2) . .
Tb3 O31 H31B 129(2) . .
H31A O31 H31B 102(2) . .
Tb4 O32 H32A 127(2) . .
Tb4 O32 H32B 124(2) . .
H32A O32 H32B 107(2) . .
Tb4 O33 H33A 123(2) . .
Tb4 O33 H33B 123(2) . .
H33A O33 H33B 105(3) . .
Tb4 O34 H34A 128(2) . .
Tb4 O34 H34B 129(2) . .
H34A O34 H34B 101(2) . .
C2 C1 C6 120.3(5) . .
C2 C1 C13 118.9(5) . .
C6 C1 C13 120.8(5) . .
C1 C2 C3 120.0(5) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 119.7(5) . .
C4 C3 C14 120.4(5) . .
C2 C3 C14 119.9(5) . .
C3 C4 C5 121.2(5) . .
C3 C4 H4 119.4 . .
C5 C4 H4 119.4 . .
C6 C5 C4 118.0(5) . .
C6 C5 C7 122.8(5) . .
C4 C5 C7 119.2(5) . .
C5 C6 C1 120.6(5) . .
C5 C6 H6 119.7 . .
C1 C6 H6 119.7 . .
C12 C7 C8 116.6(6) . .
C12 C7 C5 122.9(6) . .
C8 C7 C5 120.3(6) . .
C9 C8 C7 119.9(6) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C10 C9 C8 121.4(7) . .
C10 C9 H9 119.3 . .
C8 C9 H9 119.3 . .
C9 C10 C11 119.1(6) . .
C9 C10 C15 120.4(6) . .
C11 C10 C15 120.3(6) . .
C10 C11 C12 119.5(6) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C7 C12 C11 123.0(6) . .
C7 C12 H12 118.5 . .
C11 C12 H12 118.5 . .
O1 C13 O2 121.7(5) . .
O1 C13 C1 120.8(5) . .
O2 C13 C1 117.5(5) . .
O1 C13 Tb1 71.2(3) . .
O2 C13 Tb1 50.7(3) . .
C1 C13 Tb1 167.3(4) . .
O4 C14 O3 123.8(5) . .
O4 C14 C3 117.9(5) . .
O3 C14 C3 118.2(5) . .
O4 C14 Eu2 32.8(3) . 2_484
O3 C14 Eu2 91.1(3) . 2_484
C3 C14 Eu2 150.3(4) . 2_484
O5 C15 O6 120.9(6) . .
O5 C15 C10 119.0(6) . .
O6 C15 C10 120.1(6) . .
O5 C15 Tb3 60.3(3) . .
O6 C15 Tb3 60.8(3) . .
C10 C15 Tb3 175.1(4) . .
C21 C16 C17 118.7(5) . .
C21 C16 C28 120.8(5) . .
C17 C16 C28 120.5(5) . .
C18 C17 C16 120.9(5) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C17 C18 C19 118.6(6) . .
C17 C18 C29 121.4(5) . .
C19 C18 C29 119.8(5) . .
C18 C19 C20 121.5(6) . .
C18 C19 H19 119.2 . .
C20 C19 H19 119.2 . .
C21 C20 C19 117.9(5) . .
C21 C20 C22 121.9(6) . .
C19 C20 C22 120.0(5) . .
C20 C21 C16 122.4(6) . .
C20 C21 H21 118.8 . .
C16 C21 H21 118.8 . .
C27 C22 C23 117.7(6) . .
C27 C22 C20 121.7(6) . .
C23 C22 C20 120.5(6) . .
C22 C23 C24 121.1(6) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C25 C24 C23 120.8(7) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C26 C25 C24 118.3(6) . .
C26 C25 C30 121.3(6) . .
C24 C25 C30 120.3(6) . .
C25 C26 C27 120.7(6) . .
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 . .
C22 C27 C26 121.2(7) . .
C22 C27 H27 119.4 . .
C26 C27 H27 119.4 . .
O7 C28 O8 120.9(5) . .
O7 C28 C16 119.6(5) . .
O8 C28 C16 119.5(5) . .
O7 C28 Tb2 61.0(3) . .
O8 C28 Tb2 60.1(3) . .
C16 C28 Tb2 172.7(4) . .
O10 C29 O9 127.1(5) . .
O10 C29 C18 116.6(5) . .
O9 C29 C18 116.3(5) . .
O11 C30 O12 124.3(6) . .
O11 C30 C25 118.9(6) . .
O12 C30 C25 116.7(6) . .
C32 C31 C36 119.5(5) . .
C32 C31 C43 120.9(5) . .
C36 C31 C43 119.7(5) . .
C33 C32 C31 120.2(5) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C32 C33 C34 119.8(6) . .
C32 C33 C44 120.8(5) . .
C34 C33 C44 119.4(5) . .
C35 C34 C33 121.1(5) . .
C35 C34 H34 119.5 . .
C33 C34 H34 119.5 . .
C34 C35 C36 118.8(5) . .
C34 C35 C37 120.4(5) . .
C36 C35 C37 120.7(5) . .
C31 C36 C35 120.6(6) . .
C31 C36 H36 119.7 . .
C35 C36 H36 119.7 . .
C38 C37 C42 118.0(6) . .
C38 C37 C35 120.0(6) . .
C42 C37 C35 122.0(6) . .
C37 C38 C39 120.8(6) . .
C37 C38 H38 119.6 . .
C39 C38 H38 119.6 . .
C40 C39 C38 120.8(6) . .
C40 C39 H39 119.6 . .
C38 C39 H39 119.6 . .
C41 C40 C39 118.0(6) . .
C41 C40 C45 123.0(6) . .
C39 C40 C45 118.9(6) . .
C40 C41 C42 121.6(6) . .
C40 C41 H41 119.2 . .
C42 C41 H41 119.2 . .
C41 C42 C37 120.8(7) . .
C41 C42 H42 119.6 . .
C37 C42 H42 119.6 . .
O13 C43 O14 124.5(5) . .
O13 C43 C31 117.4(5) . .
O14 C43 C31 118.1(5) . .
O15 C44 O16 120.7(6) . .
O15 C44 C33 119.6(5) . .
O16 C44 C33 119.7(5) . .
O15 C44 Eu4 59.6(3) . 2_494
O16 C44 Eu4 61.1(3) . 2_494
C33 C44 Eu4 178.5(4) . 2_494
O15 C44 Tb4 59.6(3) . 2_494
O16 C44 Tb4 61.1(3) . 2_494
C33 C44 Tb4 178.5(4) . 2_494
Eu4 C44 Tb4 0.000(10) 2_494 2_494
O18 C45 O17 125.0(6) . .
O18 C45 C40 118.1(6) . .
O17 C45 C40 116.8(6) . .
C47 C46 C51 119.1(5) . .
C47 C46 C58 119.4(5) . .
C51 C46 C58 121.4(5) . .
C46 C47 C48 120.4(5) . .
C46 C47 H47 119.8 . .
C48 C47 H47 119.8 . .
C49 C48 C47 119.5(5) . .
C49 C48 C59 121.0(5) . .
C47 C48 C59 119.5(5) . .
C48 C49 C50 121.5(5) . .
C48 C49 H49 119.2 . .
C50 C49 H49 119.2 . .
C51 C50 C49 118.5(5) . .
C51 C50 C52 120.1(5) . .
C49 C50 C52 121.3(5) . .
C50 C51 C46 120.8(5) . .
C50 C51 H51 119.6 . .
C46 C51 H51 119.6 . .
C53 C52 C57 117.4(6) . .
C53 C52 C50 122.5(6) . .
C57 C52 C50 120.1(5) . .
C52 C53 C54 122.1(6) . .
C52 C53 H53 118.9 . .
C54 C53 H53 118.9 . .
C53 C54 C55 120.5(6) . .
C53 C54 H54 119.7 . .
C55 C54 H54 119.7 . .
C56 C55 C54 118.2(6) . .
C56 C55 C60 120.1(6) . .
C54 C55 C60 121.7(6) . .
C55 C56 C57 120.9(6) . .
C55 C56 H56 119.5 . .
C57 C56 H56 119.5 . .
C56 C57 C52 120.8(6) . .
C56 C57 H57 119.6 . .
C52 C57 H57 119.6 . .
O19 C58 O20 124.2(6) . .
O19 C58 C46 119.2(5) . .
O20 C58 C46 116.6(5) . .
O21 C59 O22 125.0(5) . .
O21 C59 C48 117.4(5) . .
O22 C59 C48 117.6(5) . .
O21 C59 Eu3 85.4(3) . 1_556
O22 C59 Eu3 41.1(3) . 1_556
C48 C59 Eu3 154.0(4) . 1_556
O24 C60 O23 122.4(6) . .
O24 C60 C55 119.0(6) . .
O23 C60 C55 118.6(6) . .
O24 C60 Tb1 60.9(3) . .
O23 C60 Tb1 61.7(3) . .
C55 C60 Tb1 176.5(5) . .
C61 N1 C62 125.7(15) . .
C61 N1 C63 111.4(14) . .
C62 N1 C63 121.6(15) . .
C64 N2 C66 118.5(10) . .
C64 N2 C65 119.8(9) . .
C66 N2 C65 121.6(10) . .
O27 C61 N1 128.9(17) . .
O27 C61 H61 115.5 . .
N1 C61 H61 115.5 . .
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 123.4(10) . .
O30 C64 H64 118.3 . .
N2 C64 H64 118.3 . .
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(8) . .
C67 N3 C68 117.4(8) . .
C69 N3 C68 119.5(9) . .
O35 C67 N3 122.8(9) . .
O35 C67 H67 118.6 . .
N3 C67 H67 118.6 . .
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 121.0(9) . .
C70 N4 C72 120.2(9) . .
C71 N4 C72 118.8(8) . .
O36 C70 N4 126.8(11) . .
O36 C70 H70 116.6 . .
N4 C70 H70 116.6 . .
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 121.2(8) . .
C73 N5 C74 119.4(8) . .
C75 N5 C74 119.3(8) . .
O37 C73 N5 124.6(9) . .
O37 C73 H73 117.7 . .
N5 C73 H73 117.7 . .
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 127(2) . .
C76 N6 C78 92.9(19) . .
C77 N6 C78 140(2) . .
N6 C76 O38 105(2) . .
N6 C76 H76 127.7 . .
O38 C76 H76 127.7 . .
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 C79 116(2) . .
C80 N7 C81 128(2) . .
C79 N7 C81 114(2) . .
O39 C79 N7 117(2) . .
O39 C79 H79 121.5 . .
N7 C79 H79 121.5 . .
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 2.320(4) 2_594
Tb1 O10 2.352(4) 2_584
Tb1 O9 2.372(4) 1_565
Tb1 O2 2.399(4) .
Tb1 O26 2.417(5) .
Tb1 O24 2.448(4) .
Tb1 O25 2.453(5) .
Tb1 O23 2.466(5) .
Tb1 C60 2.799(6) .
Tb1 O1 2.847(5) .
Tb1 C13 2.992(6) .
Tb1 Eu1 4.0296(14) 2_594
Tb2 O17 2.281(4) .
Tb2 O3 2.297(4) .
Tb2 O4 2.315(4) 2_484
Tb2 O27 2.338(5) .
Tb2 O28 2.453(5) .
Tb2 O29 2.463(4) .
Tb2 O8 2.470(4) .
Tb2 O7 2.489(4) .
Tb2 C28 2.843(6) .
Tb3 O21 2.286(4) 2_594
Tb3 O13 2.327(4) .
Tb3 O14 2.381(4) 2_593
Tb3 O22 2.387(4) 1_554
Tb3 O30 2.407(5) .
Tb3 O5 2.438(4) .
Tb3 O31 2.441(5) .
Tb3 O6 2.450(4) .
Tb3 C15 2.803(6) .
Tb4 O19 2.295(4) .
Tb4 O20 2.308(4) 2_485
Tb4 O12 2.311(4) 2_584
Tb4 O33 2.429(5) .
Tb4 O32 2.432(5) .
Tb4 O15 2.438(4) 2_494
Tb4 O34 2.449(4) .
Tb4 O16 2.472(4) 2_494
Tb4 C44 2.820(6) 2_494
O1 C13 1.250(7) .
O1 Eu1 2.320(4) 2_594
O1 Tb1 2.320(4) 2_594
O2 C13 1.266(7) .
O3 C14 1.251(7) .
O4 C14 1.250(7) .
O4 Eu2 2.315(4) 2_484
O4 Tb2 2.315(4) 2_484
O5 C15 1.242(8) .
O6 C15 1.254(8) .
O7 C28 1.264(7) .
O8 C28 1.267(7) .
O9 C29 1.260(7) .
O9 Eu1 2.372(4) 1_545
O9 Tb1 2.372(4) 1_545
O10 C29 1.246(7) .
O10 Eu1 2.352(4) 2_584
O10 Tb1 2.352(4) 2_584
O11 C30 1.260(8) .
O12 C30 1.264(8) .
O12 Eu4 2.311(4) 2_584
O12 Tb4 2.311(4) 2_584
O13 C43 1.258(7) .
O14 C43 1.266(7) .
O14 Eu3 2.381(4) 2_593
O14 Tb3 2.381(4) 2_593
O15 C44 1.263(7) .
O15 Eu4 2.438(4) 2_494
O15 Tb4 2.438(4) 2_494
O16 C44 1.264(7) .
O16 Eu4 2.472(4) 2_494
O16 Tb4 2.472(4) 2_494
O17 C45 1.256(8) .
O18 C45 1.250(8) .
O19 C58 1.242(7) .
O20 C58 1.243(7) .
O20 Eu4 2.308(4) 2_485
O20 Tb4 2.308(4) 2_485
O21 C59 1.249(7) .
O21 Eu3 2.286(4) 2_594
O21 Tb3 2.286(4) 2_594
O22 C59 1.250(7) .
O22 Eu3 2.387(4) 1_556
O22 Tb3 2.387(4) 1_556
O23 C60 1.242(8) .
O24 C60 1.241(8) .
O25 H25A 1.029(19) .
O25 H25B 1.017(19) .
O26 H26A 1.029(18) .
O26 H26B 1.035(18) .
O27 C61 1.100(16) .
O28 H28A 0.982(18) .
O28 H28B 0.982(18) .
O29 H29A 1.014(19) .
O29 H29B 1.017(19) .
O30 C64 1.268(11) .
O31 H31A 1.025(18) .
O31 H31B 1.020(18) .
O32 H32A 0.988(18) .
O32 H32B 0.993(18) .
O33 H33A 1.01(2) .
O33 H33B 1.00(2) .
O34 H34A 1.022(18) .
O34 H34B 1.020(18) .
C1 C2 1.386(8) .
C1 C6 1.394(8) .
C1 C13 1.501(8) .
C2 C3 1.394(8) .
C2 H2 0.9300 .
C3 C4 1.375(8) .
C3 C14 1.497(8) .
C4 C5 1.418(8) .
C4 H4 0.9300 .
C5 C6 1.393(8) .
C5 C7 1.484(8) .
C6 H6 0.9300 .
C7 C12 1.373(9) .
C7 C8 1.405(9) .
C8 C9 1.403(9) .
C8 H8 0.9300 .
C9 C10 1.356(9) .
C9 H9 0.9300 .
C10 C11 1.381(9) .
C10 C15 1.509(8) .
C11 C12 1.384(9) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C14 Eu2 3.265(6) 2_484
C16 C21 1.386(8) .
C16 C17 1.394(8) .
C16 C28 1.492(8) .
C17 C18 1.392(8) .
C17 H17 0.9300 .
C18 C19 1.392(8) .
C18 C29 1.515(8) .
C19 C20 1.403(9) .
C19 H19 0.9300 .
C20 C21 1.376(9) .
C20 C22 1.492(8) .
C21 H21 0.9300 .
C22 C27 1.381(9) .
C22 C23 1.387(10) .
C23 C24 1.389(9) .
C23 H23 0.9300 .
C24 C25 1.383(9) .
C24 H24 0.9300 .
C25 C26 1.379(10) .
C25 C30 1.491(9) .
C26 C27 1.393(9) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C31 C32 1.394(8) .
C31 C36 1.395(8) .
C31 C43 1.502(8) .
C32 C33 1.381(8) .
C32 H32 0.9300 .
C33 C34 1.387(8) .
C33 C44 1.494(8) .
C34 C35 1.386(8) .
C34 H34 0.9300 .
C35 C36 1.396(8) .
C35 C37 1.494(8) .
C36 H36 0.9300 .
C37 C38 1.377(9) .
C37 C42 1.399(9) .
C38 C39 1.399(9) .
C38 H38 0.9300 .
C39 C40 1.386(9) .
C39 H39 0.9300 .
C40 C41 1.375(10) .
C40 C45 1.512(8) .
C41 C42 1.377(9) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C44 Eu4 2.820(6) 2_494
C44 Tb4 2.820(6) 2_494
C46 C47 1.389(8) .
C46 C51 1.405(8) .
C46 C58 1.485(8) .
C47 C48 1.390(8) .
C47 H47 0.9300 .
C48 C49 1.378(8) .
C48 C59 1.505(8) .
C49 C50 1.395(8) .
C49 H49 0.9300 .
C50 C51 1.387(8) .
C50 C52 1.490(8) .
C51 H51 0.9300 .
C52 C53 1.366(9) .
C52 C57 1.393(9) .
C53 C54 1.369(9) .
C53 H53 0.9300 .
C54 C55 1.388(9) .
C54 H54 0.9300 .
C55 C56 1.367(9) .
C55 C60 1.508(8) .
C56 C57 1.385(9) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C59 Eu3 3.184(6) 1_556
N1 C61 1.363(17) .
N1 C62 1.39(2) .
N1 C63 1.506(19) .
N2 C64 1.339(13) .
N2 C66 1.453(14) .
N2 C65 1.469(13) .
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(10) .
N3 C67 1.330(11) .
N3 C69 1.407(12) .
N3 C68 1.435(13) .
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 1.235(11) .
N4 C70 1.290(11) .
N4 C71 1.453(13) .
N4 C72 1.458(12) .
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 1.228(10) .
N5 C73 1.319(11) .
N5 C75 1.402(11) .
N5 C74 1.438(12) .
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 1.50(3) .
N6 C76 1.47(3) .
N6 C77 1.50(3) .
N6 C78 1.67(3) .
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 1.397(17) .
N7 C80 1.470(16) .
N7 C79 1.474(17) .
N7 C81 1.480(16) .
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 1.017(19) 1.679(18) 2.690(7) 172(4) 2_494
O26 H26A O36 1.029(18) 1.96(13) 2.757(8) 132(13) 2_585
O26 H26B O37 1.035(18) 2.28(15) 2.827(9) 111(11) 1_474
O28 H28A O8 0.982(18) 2.22(14) 2.892(6) 125(13) 2_484
O28 H28A O3 0.982(18) 2.59(7) 3.102(7) 113(5) 2_484
O28 H28B O18 0.982(18) 1.95(6) 2.704(7) 131(6) .
O29 H29A O37 1.014(19) 2.00(12) 2.842(8) 138(15) 2_575
O31 H31A O35 1.025(18) 1.90(11) 2.795(8) 145(15) 2_674
O31 H31B O11 1.020(18) 1.86(4) 2.852(7) 164(12) .
O32 H32B O2W 0.993(18) 2.27(11) 3.105(11) 141(13) 2_575
O33 H33A O11 1.01(2) 1.94(11) 2.663(7) 127(9) 2_584
O33 H33B O2W 1.00(2) 1.77(4) 2.755(10) 167(14) 2_575
O34 H34A O16 1.022(18) 1.95(12) 2.794(6) 138(14) 1_546
O34 H34B O35 1.020(18) 1.81(4) 2.816(8) 170(16) 1_465
