#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/51/7035101.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_7035101
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 Eu N7 O42 Tb3'
_chemical_formula_sum            'C81 H99 Eu N7 O42 Tb3'
_chemical_formula_weight         2471.39
_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                75.72(3)
_cell_angle_beta                 79.23(3)
_cell_angle_gamma                85.59(3)
_cell_formula_units_Z            2
_cell_length_a                   13.029(3)
_cell_length_b                   13.828(3)
_cell_length_c                   28.021(6)
_cell_measurement_reflns_used    16862
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.52
_cell_volume                     4804(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  0.0279
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            27196
_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    2.918
_exptl_absorpt_correction_T_max  0.5118
_exptl_absorpt_correction_T_min  0.4757
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2456
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.015
_refine_diff_density_min         -1.135
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1075
_refine_ls_number_reflns         16862
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0602P)²+3.0370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1087
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                13392
_reflns_number_total             16862
_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        4803.5(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035101
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 -0.11987(2) 2.02129(2) -0.445970(10) 0.02069(8) Uani 0.25 1 d P
Tb2 Tb -0.52847(2) 1.53760(2) -0.585020(11) 0.02270(9) Uani 0.25 1 d P
Tb3 Tb 0.03079(2) 1.87523(2) -0.939555(10) 0.01968(8) Uani 0.25 1 d P
Tb4 Tb -0.48313(2) 1.48081(2) -0.085854(10) 0.02134(8) Uani 0.25 1 d P
Eu1 Eu -0.11987(2) 2.02129(2) -0.445970(10) 0.02069(8) Uani 0.75 1 d PD
Eu2 Eu -0.52847(2) 1.53760(2) -0.585020(11) 0.02270(9) Uani 0.75 1 d PD
Eu3 Eu 0.03079(2) 1.87523(2) -0.939555(10) 0.01968(8) Uani 0.75 1 d PD
Eu4 Eu -0.48313(2) 1.48081(2) -0.085854(10) 0.02134(8) Uani 0.75 1 d PD
O1 O -0.0542(3) 1.9319(4) -0.52797(16) 0.0335(11) Uani 1 1 d .
O2 O -0.2010(4) 1.8996(4) -0.47394(17) 0.0375(12) Uani 1 1 d .
O3 O -0.3996(4) 1.5680(4) -0.54371(19) 0.0453(13) Uani 1 1 d .
O4 O -0.3763(4) 1.5907(4) -0.47126(17) 0.0406(12) Uani 1 1 d .
O5 O 0.0455(4) 1.8893(5) -0.85555(17) 0.0508(15) Uani 1 1 d .
O6 O -0.0684(4) 1.7860(4) -0.85937(16) 0.0415(12) Uani 1 1 d .
O7 O -0.3607(3) 1.5163(4) -0.64209(16) 0.0373(12) Uani 1 1 d .
O8 O -0.4046(3) 1.3921(3) -0.57681(16) 0.0328(11) Uani 1 1 d .
O9 O -0.1310(3) 1.1345(4) -0.52396(16) 0.0351(11) Uani 1 1 d .
O10 O 0.0189(3) 1.1266(4) -0.57777(16) 0.0348(11) Uani 1 1 d .
O11 O 0.2609(4) 1.6587(4) -0.85301(19) 0.0478(14) Uani 1 1 d .
O12 O 0.3253(4) 1.5080(4) -0.85876(17) 0.0418(12) Uani 1 1 d .
O13 O -0.1107(4) 1.9833(4) -0.92225(16) 0.0370(12) Uani 1 1 d .
O14 O -0.1239(3) 2.1277(3) -0.97839(15) 0.0325(11) Uani 1 1 d .
O15 O -0.4959(4) 2.3515(4) -0.86133(16) 0.0413(13) Uani 1 1 d .
O16 O -0.3875(3) 2.3868(3) -0.93298(15) 0.0319(11) Uani 1 1 d .
O17 O -0.5096(4) 1.6942(4) -0.63682(17) 0.0427(12) Uani 1 1 d .
O18 O -0.5560(5) 1.8145(4) -0.5967(2) 0.0690(19) Uani 1 1 d .
O19 O -0.4030(4) 1.5725(4) -0.04546(18) 0.0390(12) Uani 1 1 d .
O20 O -0.3890(4) 1.6068(4) 0.02551(17) 0.0382(12) Uani 1 1 d .
O21 O -0.0988(4) 1.9684(4) -0.03307(17) 0.0385(12) Uani 1 1 d .
O22 O -0.1064(4) 1.8271(4) 0.02533(17) 0.0365(11) Uani 1 1 d .
O23 O -0.2216(4) 1.9362(5) -0.36464(18) 0.0591(17) Uani 1 1 d .
O24 O -0.0865(4) 2.0179(4) -0.36204(17) 0.0446(13) Uani 1 1 d .
O25 O -0.3087(4) 2.0603(5) -0.4448(3) 0.0678(18) Uani 1 1 d D
O26 O -0.1442(5) 2.1886(4) -0.4320(2) 0.0605(16) Uani 1 1 d D
O27 O -0.5725(5) 1.4606(5) -0.6439(2) 0.0658(18) Uani 1 1 d .
O28 O -0.6106(4) 1.6425(4) -0.52777(18) 0.0456(13) Uani 1 1 d D
O29 O -0.7137(4) 1.5814(4) -0.5933(2) 0.0474(13) Uani 1 1 d D
O30 O 0.0593(4) 1.6997(4) -0.9366(2) 0.0518(14) Uani 1 1 d .
O31 O 0.2124(4) 1.8322(5) -0.92599(19) 0.0505(14) Uani 1 1 d D
O32 O -0.6230(6) 1.4755(5) -0.1326(3) 0.080(2) Uani 1 1 d D
O33 O -0.4639(4) 1.3215(4) -0.1098(2) 0.0506(14) Uani 1 1 d D
O34 O -0.3824(4) 1.3621(4) -0.02950(17) 0.0390(12) Uani 1 1 d D
C1 C -0.1748(5) 1.8235(5) -0.5427(2) 0.0238(13) Uani 1 1 d .
C2 C -0.2495(5) 1.7524(5) -0.5189(2) 0.0263(14) Uani 1 1 d .
H2 H -0.2761 1.7450 -0.4850 0.032 Uiso 1 1 calc R
C3 C -0.2843(5) 1.6929(5) -0.5450(2) 0.0249(13) Uani 1 1 d .
C4 C -0.2480(5) 1.7053(5) -0.5957(2) 0.0296(15) Uani 1 1 d .
H4 H -0.2741 1.6670 -0.6135 0.036 Uiso 1 1 calc R
C5 C -0.1711(5) 1.7762(5) -0.6207(2) 0.0289(15) Uani 1 1 d .
C6 C -0.1343(5) 1.8333(5) -0.5934(2) 0.0278(14) Uani 1 1 d .
H6 H -0.0821 1.8786 -0.6091 0.033 Uiso 1 1 calc R
C7 C -0.1329(5) 1.7882(5) -0.6760(2) 0.0315(15) Uani 1 1 d .
C8 C -0.0384(7) 1.8319(7) -0.6982(3) 0.059(3) Uani 1 1 d .
H8 H 0.0027 1.8525 -0.6790 0.071 Uiso 1 1 calc R
C9 C -0.0051(7) 1.8448(7) -0.7498(3) 0.061(3) Uani 1 1 d .
H9 H 0.0583 1.8748 -0.7647 0.073 Uiso 1 1 calc R
C10 C -0.0637(5) 1.8143(5) -0.7788(2) 0.0317(15) Uani 1 1 d .
C11 C -0.1532(6) 1.7641(7) -0.7560(3) 0.046(2) Uani 1 1 d .
H11 H -0.1914 1.7386 -0.7748 0.055 Uiso 1 1 calc R
C12 C -0.1869(6) 1.7514(7) -0.7048(2) 0.049(2) Uani 1 1 d .
H12 H -0.2477 1.7171 -0.6898 0.059 Uiso 1 1 calc R
C13 C -0.1407(5) 1.8887(5) -0.5133(2) 0.0251(14) Uani 1 1 d .
C14 C -0.3601(5) 1.6121(5) -0.5183(2) 0.0256(14) Uani 1 1 d .
C15 C -0.0272(5) 1.8304(5) -0.8347(2) 0.0304(15) Uani 1 1 d .
C16 C -0.2338(5) 1.3827(5) -0.6251(2) 0.0294(15) Uani 1 1 d .
C17 C -0.2046(5) 1.2981(5) -0.5920(2) 0.0295(15) Uani 1 1 d .
H17 H -0.2503 1.2713 -0.5628 0.035 Uiso 1 1 calc R
C18 C -0.1056(5) 1.2526(5) -0.6025(2) 0.0308(15) Uani 1 1 d .
C19 C -0.0387(5) 1.2927(5) -0.6466(2) 0.0326(16) Uani 1 1 d .
H19 H 0.0262 1.2614 -0.6539 0.039 Uiso 1 1 calc R
C20 C -0.0666(5) 1.3790(6) -0.6804(2) 0.0357(17) Uani 1 1 d .
C21 C -0.1647(5) 1.4228(5) -0.6686(2) 0.0346(16) Uani 1 1 d .
H21 H -0.1847 1.4805 -0.6903 0.041 Uiso 1 1 calc R
C22 C 0.0109(5) 1.4262(6) -0.7248(2) 0.0364(17) Uani 1 1 d .
C23 C 0.0170(6) 1.5288(6) -0.7401(3) 0.054(2) Uani 1 1 d .
H23 H -0.0320 1.5682 -0.7241 0.064 Uiso 1 1 calc R
C24 C 0.0934(6) 1.5751(7) -0.7785(3) 0.057(2) Uani 1 1 d .
H24 H 0.0953 1.6444 -0.7877 0.069 Uiso 1 1 calc R
C25 C 0.1677(5) 1.5177(6) -0.8034(2) 0.0383(17) Uani 1 1 d .
C26 C 0.1597(5) 1.4152(6) -0.7892(3) 0.0415(18) Uani 1 1 d .
H26 H 0.2068 1.3756 -0.8059 0.050 Uiso 1 1 calc R
C27 C 0.0820(5) 1.3694(6) -0.7500(3) 0.0418(18) Uani 1 1 d .
H27 H 0.0786 1.3001 -0.7410 0.050 Uiso 1 1 calc R
C28 C -0.3393(5) 1.4325(5) -0.6141(2) 0.0284(15) Uani 1 1 d .
C29 C -0.0702(5) 1.1637(5) -0.5652(2) 0.0289(14) Uani 1 1 d .
C30 C 0.2564(5) 1.5647(6) -0.8414(3) 0.0381(17) Uani 1 1 d .
C31 C -0.2375(5) 2.1026(5) -0.8999(2) 0.0289(14) Uani 1 1 d .
C32 C -0.2848(5) 2.1963(5) -0.9119(2) 0.0294(15) Uani 1 1 d .
H32 H -0.2613 2.2396 -0.9425 0.035 Uiso 1 1 calc R
C33 C -0.3669(5) 2.2269(5) -0.8789(2) 0.0279(14) Uani 1 1 d .
C34 C -0.4009(5) 2.1622(5) -0.8333(2) 0.0336(16) Uani 1 1 d .
H34 H -0.4548 2.1829 -0.8108 0.040 Uiso 1 1 calc R
C35 C -0.3564(5) 2.0669(5) -0.8204(2) 0.0319(15) Uani 1 1 d .
C36 C -0.2734(5) 2.0383(5) -0.8541(2) 0.0327(15) Uani 1 1 d .
H36 H -0.2419 1.9752 -0.8458 0.039 Uiso 1 1 calc R
C37 C -0.3983(5) 1.9955(5) -0.7723(2) 0.0351(16) Uani 1 1 d .
C38 C -0.4008(6) 1.8954(5) -0.7703(3) 0.0435(19) Uani 1 1 d .
H38 H -0.3757 1.8723 -0.7990 0.052 Uiso 1 1 calc R
C39 C -0.4408(6) 1.8278(6) -0.7258(3) 0.0439(19) Uani 1 1 d .
H39 H -0.4411 1.7602 -0.7251 0.053 Uiso 1 1 calc R
C40 C -0.4797(5) 1.8604(5) -0.6829(2) 0.0372(17) Uani 1 1 d .
C41 C -0.4785(7) 1.9602(6) -0.6844(3) 0.055(2) Uani 1 1 d .
H41 H -0.5043 1.9829 -0.6557 0.066 Uiso 1 1 calc R
C42 C -0.4390(7) 2.0279(6) -0.7286(3) 0.055(2) Uani 1 1 d .
H42 H -0.4396 2.0955 -0.7292 0.066 Uiso 1 1 calc R
C43 C -0.1508(5) 2.0684(5) -0.9363(2) 0.0282(14) Uani 1 1 d .
C44 C -0.4192(5) 2.3276(5) -0.8923(2) 0.0288(14) Uani 1 1 d .
C45 C -0.5189(6) 1.7843(6) -0.6350(3) 0.0395(18) Uani 1 1 d .
C46 C -0.3015(4) 1.7079(5) -0.0477(2) 0.0227(13) Uani 1 1 d .
C47 C -0.2482(5) 1.7535(5) -0.0208(2) 0.0245(13) Uani 1 1 d .
H47 H -0.2544 1.7296 0.0137 0.029 Uiso 1 1 calc R
C48 C -0.1856(5) 1.8349(5) -0.0452(2) 0.0257(14) Uani 1 1 d .
C49 C -0.1763(5) 1.8693(5) -0.0961(2) 0.0298(15) Uani 1 1 d .
H49 H -0.1366 1.9250 -0.1121 0.036 Uiso 1 1 calc R
C50 C -0.2244(5) 1.8235(5) -0.1245(2) 0.0297(15) Uani 1 1 d .
C51 C -0.2880(5) 1.7419(5) -0.1001(2) 0.0294(15) Uani 1 1 d .
H51 H -0.3212 1.7105 -0.1185 0.035 Uiso 1 1 calc R
C52 C -0.2097(5) 1.8590(5) -0.1801(2) 0.0321(15) Uani 1 1 d .
C53 C -0.2865(6) 1.8510(6) -0.2069(3) 0.045(2) Uani 1 1 d .
H53 H -0.3495 1.8230 -0.1898 0.054 Uiso 1 1 calc R
C54 C -0.2722(6) 1.8836(7) -0.2585(3) 0.045(2) Uani 1 1 d .
H54 H -0.3257 1.8788 -0.2755 0.054 Uiso 1 1 calc R
C55 C -0.1779(5) 1.9234(5) -0.2847(2) 0.0325(16) Uani 1 1 d .
C56 C -0.1007(6) 1.9308(6) -0.2588(2) 0.0407(18) Uani 1 1 d .
H56 H -0.0368 1.9565 -0.2762 0.049 Uiso 1 1 calc R
C57 C -0.1161(6) 1.9004(6) -0.2067(2) 0.0400(18) Uani 1 1 d .
H57 H -0.0634 1.9079 -0.1897 0.048 Uiso 1 1 calc R
C58 C -0.3696(5) 1.6233(5) -0.0210(2) 0.0264(14) Uani 1 1 d .
C59 C -0.1273(5) 1.8803(5) -0.0151(2) 0.0259(14) Uani 1 1 d .
C60 C -0.1606(5) 1.9616(6) -0.3409(2) 0.0344(16) Uani 1 1 d .
N1 N -0.6220(10) 1.3715(10) -0.6915(5) 0.125(4) Uiso 1 1 d .
N2 N 0.1083(7) 1.5664(8) -0.9729(4) 0.089(3) Uiso 1 1 d .
C61 C -0.5591(15) 1.4289(14) -0.6783(7) 0.147(6) Uiso 1 1 d .
H61 H -0.4964 1.4447 -0.7001 0.177 Uiso 1 1 calc R
C62 C -0.7084(18) 1.3036(18) -0.6599(9) 0.233(11) Uiso 1 1 d .
H62A H -0.7359 1.2700 -0.6807 0.350 Uiso 1 1 calc R
H62B H -0.7632 1.3427 -0.6449 0.350 Uiso 1 1 calc R
H62C H -0.6806 1.2551 -0.6342 0.350 Uiso 1 1 calc R
C63 C -0.5740(15) 1.3508(16) -0.7416(7) 0.184(8) Uiso 1 1 d .
H63A H -0.6191 1.3094 -0.7508 0.277 Uiso 1 1 calc R
H63B H -0.5072 1.3172 -0.7394 0.277 Uiso 1 1 calc R
H63C H -0.5651 1.4127 -0.7665 0.277 Uiso 1 1 calc R
C64 C 0.0757(8) 1.6623(9) -0.9742(4) 0.083(3) Uiso 1 1 d .
H64 H 0.0648 1.7031 -1.0047 0.100 Uiso 1 1 calc R
C65 C 0.1390(11) 1.5336(11) -1.0207(5) 0.113(4) Uiso 1 1 d .
H65A H 0.1602 1.4643 -1.0136 0.170 Uiso 1 1 calc R
H65B H 0.1961 1.5724 -1.0414 0.170 Uiso 1 1 calc R
H65C H 0.0806 1.5432 -1.0380 0.170 Uiso 1 1 calc R
C66 C 0.1133(13) 1.4996(13) -0.9230(6) 0.143(6) Uiso 1 1 d .
H66A H 0.1373 1.4341 -0.9268 0.214 Uiso 1 1 calc R
H66B H 0.0450 1.4959 -0.9027 0.214 Uiso 1 1 calc R
H66C H 0.1608 1.5256 -0.9073 0.214 Uiso 1 1 calc R
O35 O 0.6029(5) 0.1536(5) -0.0041(2) 0.0660(17) Uiso 1 1 d .
N3 N 0.5437(5) 0.0181(6) 0.0565(3) 0.0542(18) Uiso 1 1 d .
C67 C 0.5391(8) 0.1147(8) 0.0340(4) 0.073(3) Uiso 1 1 d .
H67 H 0.4863 0.1550 0.0470 0.088 Uiso 1 1 calc R
C68 C 0.4647(11) -0.0178(11) 0.0995(5) 0.117(5) Uiso 1 1 d .
H68A H 0.4775 -0.0877 0.1128 0.176 Uiso 1 1 calc R
H68B H 0.3971 -0.0078 0.0897 0.176 Uiso 1 1 calc R
H68C H 0.4669 0.0181 0.1245 0.176 Uiso 1 1 calc R
C69 C 0.6257(9) -0.0462(9) 0.0409(4) 0.093(4) Uiso 1 1 d .
H69A H 0.6163 -0.1122 0.0621 0.139 Uiso 1 1 calc R
H69B H 0.6914 -0.0221 0.0432 0.139 Uiso 1 1 calc R
H69C H 0.6253 -0.0480 0.0070 0.139 Uiso 1 1 calc R
O36 O 0.2184(5) 0.7485(6) 0.3450(3) 0.0754(19) Uiso 1 1 d .
N4 N 0.2867(6) 0.7742(6) 0.2629(3) 0.065(2) Uiso 1 1 d .
C70 C 0.2418(8) 0.8041(9) 0.3023(4) 0.080(3) Uiso 1 1 d .
H70 H 0.2258 0.8720 0.2985 0.096 Uiso 1 1 calc R
C71 C 0.3060(10) 0.8427(10) 0.2146(5) 0.101(4) Uiso 1 1 d .
H71A H 0.3403 0.8075 0.1901 0.151 Uiso 1 1 calc R
H71B H 0.3498 0.8945 0.2157 0.151 Uiso 1 1 calc R
H71C H 0.2408 0.8716 0.2057 0.151 Uiso 1 1 calc R
C72 C 0.3219(9) 0.6679(9) 0.2678(5) 0.093(4) Uiso 1 1 d .
H72A H 0.3539 0.6578 0.2356 0.140 Uiso 1 1 calc R
H72B H 0.2629 0.6259 0.2810 0.140 Uiso 1 1 calc R
H72C H 0.3718 0.6513 0.2901 0.140 Uiso 1 1 calc R
O37 O 0.8650(5) 0.3869(6) 0.5105(3) 0.0761(19) Uiso 1 1 d .
N5 N 0.9848(5) 0.4533(5) 0.4435(3) 0.0522(17) Uiso 1 1 d .
C73 C 0.8898(7) 0.4497(8) 0.4714(4) 0.066(3) Uiso 1 1 d .
H73 H 0.8396 0.4973 0.4605 0.079 Uiso 1 1 calc R
C74 C 1.0074(9) 0.5322(9) 0.3996(4) 0.093(4) Uiso 1 1 d .
H74A H 1.0787 0.5250 0.3838 0.140 Uiso 1 1 calc R
H74B H 0.9969 0.5953 0.4086 0.140 Uiso 1 1 calc R
H74C H 0.9617 0.5292 0.3768 0.140 Uiso 1 1 calc R
C75 C 1.0636(9) 0.3797(9) 0.4566(4) 0.089(3) Uiso 1 1 d .
H75A H 1.1265 0.3943 0.4325 0.134 Uiso 1 1 calc R
H75B H 1.0405 0.3152 0.4571 0.134 Uiso 1 1 calc R
H75C H 1.0769 0.3799 0.4892 0.134 Uiso 1 1 calc R
O38 O 0.7086(11) 0.4099(13) 0.2121(6) 0.197(6) Uiso 1 1 d .
N6 N 0.807(2) 0.251(2) 0.2260(11) 0.305(13) Uiso 1 1 d D
C76 C 0.724(3) 0.301(3) 0.2487(14) 0.298(16) Uiso 1 1 d D
H76 H 0.6828 0.2759 0.2798 0.358 Uiso 1 1 calc R
C77 C 0.859(2) 0.295(2) 0.1777(11) 0.298(16) Uiso 1 1 d D
H77A H 0.9135 0.2502 0.1672 0.446 Uiso 1 1 calc R
H77B H 0.8882 0.3563 0.1780 0.446 Uiso 1 1 calc R
H77C H 0.8098 0.3084 0.1550 0.446 Uiso 1 1 calc R
C78 C 0.804(3) 0.166(2) 0.2680(12) 0.333(19) Uiso 1 1 d D
H78A H 0.8574 0.1179 0.2604 0.499 Uiso 1 1 calc R
H78B H 0.7366 0.1362 0.2749 0.499 Uiso 1 1 calc R
H78C H 0.8145 0.1872 0.2968 0.499 Uiso 1 1 calc R
O39 O 0.6071(16) 0.2065(16) 0.3346(8) 0.265(8) Uiso 1 1 d D
N7 N 0.565(2) 0.117(3) 0.4272(12) 0.343(15) Uiso 1 1 d D
C79 C 0.536(3) 0.185(3) 0.3823(11) 0.44(3) Uiso 1 1 d D
H79 H 0.4699 0.2161 0.3844 0.526 Uiso 1 1 calc R
C80 C 0.532(2) 0.145(2) 0.4742(10) 0.274(14) Uiso 1 1 d D
H80A H 0.4741 0.1925 0.4715 0.411 Uiso 1 1 calc R
H80B H 0.5888 0.1755 0.4821 0.411 Uiso 1 1 calc R
H80C H 0.5114 0.0872 0.5001 0.411 Uiso 1 1 calc R
C81 C 0.654(2) 0.051(2) 0.4143(11) 0.278(14) Uiso 1 1 d D
H81A H 0.6589 0.0472 0.3803 0.418 Uiso 1 1 calc R
H81B H 0.6438 -0.0143 0.4360 0.418 Uiso 1 1 calc R
H81C H 0.7174 0.0770 0.4183 0.418 Uiso 1 1 calc R
O1W O 0.6455(7) 0.5788(8) 0.2510(4) 0.122(3) Uiso 1 1 d .
O2W O 0.5933(7) 0.7214(8) 0.1686(4) 0.123(3) Uiso 1 1 d .
O3W O 0.7812(12) 0.6887(12) 0.1123(6) 0.215(6) Uiso 1 1 d .
H25A H -0.363(3) 2.011(6) -0.445(8) 0.323 Uiso 1 1 d D
H25B H -0.352(4) 2.114(10) -0.431(7) 0.323 Uiso 1 1 d D
H26A H -0.184(16) 2.212(3) -0.402(4) 0.323 Uiso 1 1 d D
H26B H -0.117(16) 2.254(3) -0.455(4) 0.323 Uiso 1 1 d D
H28A H -0.664(12) 1.618(5) -0.498(4) 0.323 Uiso 1 1 d D
H28B H -0.620(14) 1.716(2) -0.539(2) 0.323 Uiso 1 1 d D
H29A H -0.739(2) 1.625(13) -0.624(3) 0.323 Uiso 1 1 d D
H29B H -0.7777(18) 1.547(11) -0.573(5) 0.323 Uiso 1 1 d D
H31A H 0.278(2) 1.869(9) -0.945(6) 0.323 Uiso 1 1 d D
H31B H 0.240(4) 1.768(7) -0.906(7) 0.323 Uiso 1 1 d D
H32A H -0.645(11) 1.536(5) -0.157(6) 0.323 Uiso 1 1 d D
H32B H -0.691(7) 1.442(13) -0.116(2) 0.323 Uiso 1 1 d D
H33A H -0.397(6) 1.279(8) -0.109(7) 0.323 Uiso 1 1 d D
H33B H -0.492(13) 1.311(5) -0.139(5) 0.323 Uiso 1 1 d D
H34A H -0.361(14) 1.372(6) 0.002(4) 0.323 Uiso 1 1 d D
H34B H -0.381(13) 1.2858(15) -0.023(6) 0.323 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 74.71(17) 2_594 2_584
O1 Tb1 O9 79.53(16) 2_594 1_565
O10 Tb1 O9 133.38(15) 2_584 1_565
O1 Tb1 O2 125.52(15) 2_594 .
O10 Tb1 O2 76.60(17) 2_584 .
O9 Tb1 O2 88.19(17) 1_565 .
O1 Tb1 O26 82.5(2) 2_594 .
O10 Tb1 O26 139.5(2) 2_584 .
O9 Tb1 O26 72.13(18) 1_565 .
O2 Tb1 O26 142.7(2) . .
O1 Tb1 O24 84.28(16) 2_594 .
O10 Tb1 O24 74.07(18) 2_584 .
O9 Tb1 O24 140.87(17) 1_565 .
O2 Tb1 O24 129.57(16) . .
O26 Tb1 O24 70.58(19) . .
O1 Tb1 O25 150.3(2) 2_594 .
O10 Tb1 O25 134.5(2) 2_584 .
O9 Tb1 O25 74.7(2) 1_565 .
O2 Tb1 O25 68.53(19) . .
O26 Tb1 O25 75.8(2) . .
O24 Tb1 O25 106.8(2) . .
O1 Tb1 O23 133.47(16) 2_594 .
O10 Tb1 O23 76.97(19) 2_584 .
O9 Tb1 O23 144.45(17) 1_565 .
O2 Tb1 O23 81.42(18) . .
O26 Tb1 O23 96.3(2) . .
O24 Tb1 O23 52.58(16) . .
O25 Tb1 O23 69.9(2) . .
O1 Tb1 C60 108.80(18) 2_594 .
O10 Tb1 C60 72.64(18) 2_584 .
O9 Tb1 C60 153.59(18) 1_565 .
O2 Tb1 C60 105.29(19) . .
O26 Tb1 C60 83.9(2) . .
O24 Tb1 C60 26.36(18) . .
O25 Tb1 C60 89.0(2) . .
O23 Tb1 C60 26.27(18) . .
O1 Tb1 O1 77.74(16) 2_594 .
O10 Tb1 O1 69.37(15) 2_584 .
O9 Tb1 O1 67.56(15) 1_565 .
O2 Tb1 O1 48.91(14) . .
O26 Tb1 O1 137.56(16) . .
O24 Tb1 O1 142.32(17) . .
O25 Tb1 O1 105.11(18) . .
O23 Tb1 O1 124.36(18) . .
C60 Tb1 O1 138.03(18) . .
O1 Tb1 C13 102.30(16) 2_594 .
O10 Tb1 C13 72.34(17) 2_584 .
O9 Tb1 C13 76.16(17) 1_565 .
O2 Tb1 C13 24.06(15) . .
O26 Tb1 C13 146.47(18) . .
O24 Tb1 C13 142.51(17) . .
O25 Tb1 C13 85.71(19) . .
O23 Tb1 C13 103.28(18) . .
C60 Tb1 C13 124.01(19) . .
O1 Tb1 C13 24.90(14) . .
O1 Tb1 Eu1 43.30(11) 2_594 2_594
O10 Tb1 Eu1 66.43(11) 2_584 2_594
O9 Tb1 Eu1 68.10(11) 1_565 2_594
O2 Tb1 Eu1 82.82(11) . 2_594
O26 Tb1 Eu1 116.29(15) . 2_594
O24 Tb1 Eu1 119.85(13) . 2_594
O25 Tb1 Eu1 133.28(16) . 2_594
O23 Tb1 Eu1 142.59(16) . 2_594
C60 Tb1 Eu1 135.09(15) . 2_594
O1 Tb1 Eu1 34.44(9) . 2_594
C13 Tb1 Eu1 59.11(12) . 2_594
O17 Tb2 O4 154.03(18) . 2_484
O17 Tb2 O3 90.04(19) . .
O4 Tb2 O3 104.90(18) 2_484 .
O17 Tb2 O27 96.3(2) . .
O4 Tb2 O27 82.6(2) 2_484 .
O3 Tb2 O27 147.3(2) . .
O17 Tb2 O28 78.80(17) . .
O4 Tb2 O28 85.31(17) 2_484 .
O3 Tb2 O28 73.03(19) . .
O27 Tb2 O28 139.6(2) . .
O17 Tb2 O8 130.03(16) . .
O4 Tb2 O8 75.50(16) 2_484 .
O3 Tb2 O8 71.84(18) . .
O27 Tb2 O8 79.77(19) . .
O28 Tb2 O8 133.57(16) . .
O17 Tb2 O29 80.21(19) . .
O4 Tb2 O29 74.86(18) 2_484 .
O3 Tb2 O29 141.37(19) . .
O27 Tb2 O29 71.2(2) . .
O28 Tb2 O29 68.43(18) . .
O8 Tb2 O29 140.61(17) . .
O17 Tb2 O7 78.28(16) . .
O4 Tb2 O7 125.60(17) 2_484 .
O3 Tb2 O7 75.56(17) . .
O27 Tb2 O7 74.46(19) . .
O28 Tb2 O7 140.75(18) . .
O8 Tb2 O7 52.46(14) . .
O29 Tb2 O7 136.82(16) . .
O17 Tb2 C28 104.14(18) . .
O4 Tb2 C28 100.93(18) 2_484 .
O3 Tb2 C28 70.13(19) . .
O27 Tb2 C28 77.3(2) . .
O28 Tb2 C28 143.01(19) . .
O8 Tb2 C28 26.07(16) . .
O29 Tb2 C28 148.50(19) . .
O7 Tb2 C28 26.48(16) . .
O21 Tb3 O13 75.53(18) 2_594 .
O21 Tb3 O14 77.69(16) 2_594 2_593
O13 Tb3 O14 125.00(15) . 2_593
O21 Tb3 O22 121.92(17) 2_594 1_554
O13 Tb3 O22 75.05(17) . 1_554
O14 Tb3 O22 80.03(16) 2_593 1_554
O21 Tb3 O30 146.64(18) 2_594 .
O13 Tb3 O30 137.27(18) . .
O14 Tb3 O30 76.30(17) 2_593 .
O22 Tb3 O30 73.29(18) 1_554 .
O21 Tb3 O5 85.83(18) 2_594 .
O13 Tb3 O5 78.22(18) . .
O14 Tb3 O5 145.58(16) 2_593 .
O22 Tb3 O5 133.81(16) 1_554 .
O30 Tb3 O5 104.5(2) . .
O21 Tb3 O6 133.01(16) 2_594 .
O13 Tb3 O6 75.45(17) . .
O14 Tb3 O6 149.01(16) 2_593 .
O22 Tb3 O6 84.42(16) 1_554 .
O30 Tb3 O6 73.60(18) . .
O5 Tb3 O6 52.49(17) . .
O21 Tb3 O31 80.78(19) 2_594 .
O13 Tb3 O31 142.11(19) . .
O14 Tb3 O31 76.73(16) 2_593 .
O22 Tb3 O31 142.79(19) 1_554 .
O30 Tb3 O31 73.2(2) . .
O5 Tb3 O31 70.88(18) . .
O6 Tb3 O31 101.18(18) . .
O21 Tb3 C15 109.44(19) 2_594 .
O13 Tb3 C15 73.94(17) . .
O14 Tb3 C15 161.04(17) 2_593 .
O22 Tb3 C15 108.77(18) 1_554 .
O30 Tb3 C15 89.9(2) . .
O5 Tb3 C15 26.45(18) . .
O6 Tb3 C15 26.11(18) . .
O31 Tb3 C15 86.92(18) . .
O19 Tb4 O20 105.79(17) . 2_485
O19 Tb4 O12 84.77(18) . 2_584
O20 Tb4 O12 152.99(18) 2_485 2_584
O19 Tb4 O33 140.52(19) . .
O20 Tb4 O33 80.35(18) 2_485 .
O12 Tb4 O33 76.15(18) 2_584 .
O19 Tb4 O32 146.8(2) . .
O20 Tb4 O32 76.9(2) 2_485 .
O12 Tb4 O32 108.0(2) 2_584 .
O33 Tb4 O32 72.6(2) . .
O19 Tb4 O15 80.06(18) . 2_494
O20 Tb4 O15 126.17(17) 2_485 2_494
O12 Tb4 O15 79.64(16) 2_584 2_494
O33 Tb4 O15 128.35(18) . 2_494
O32 Tb4 O15 72.6(2) . 2_494
O19 Tb4 O34 72.70(17) . .
O20 Tb4 O34 76.53(17) 2_485 .
O12 Tb4 O34 83.35(17) 2_584 .
O33 Tb4 O34 71.02(18) . .
O32 Tb4 O34 137.8(2) . .
O15 Tb4 O34 148.99(18) 2_494 .
O19 Tb4 O16 74.14(17) . 2_494
O20 Tb4 O16 76.75(16) 2_485 2_494
O12 Tb4 O16 130.26(16) 2_584 2_494
O33 Tb4 O16 143.24(17) . 2_494
O32 Tb4 O16 74.4(2) . 2_494
O15 Tb4 O16 52.94(14) 2_494 2_494
O34 Tb4 O16 129.14(15) . 2_494
O19 Tb4 C44 75.95(18) . 2_494
O20 Tb4 C44 101.19(18) 2_485 2_494
O12 Tb4 C44 105.51(18) 2_584 2_494
O33 Tb4 C44 142.28(19) . 2_494
O32 Tb4 C44 71.1(2) . 2_494
O15 Tb4 C44 26.79(16) 2_494 2_494
O34 Tb4 C44 146.45(17) . 2_494
O16 Tb4 C44 26.16(15) 2_494 2_494
C13 O1 Eu1 168.4(4) . 2_594
C13 O1 Tb1 168.4(4) . 2_594
Eu1 O1 Tb1 0.00(2) 2_594 2_594
C13 O1 Tb1 84.5(4) . .
Eu1 O1 Tb1 102.26(15) 2_594 .
Tb1 O1 Tb1 102.26(15) 2_594 .
C13 O2 Tb1 104.9(4) . .
C14 O3 Tb2 155.2(5) . .
C14 O4 Eu2 129.6(4) . 2_484
C14 O4 Tb2 129.6(4) . 2_484
Eu2 O4 Tb2 0.00(2) 2_484 2_484
C15 O5 Tb3 93.1(4) . .
C15 O6 Tb3 93.3(4) . .
C28 O7 Tb2 92.4(4) . .
C28 O8 Tb2 94.0(4) . .
C29 O9 Eu1 136.4(4) . 1_545
C29 O9 Tb1 136.4(4) . 1_545
Eu1 O9 Tb1 0.000(15) 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(17) 2_584 2_584
C30 O12 Eu4 139.0(5) . 2_584
C30 O12 Tb4 139.0(5) . 2_584
Eu4 O12 Tb4 0.000(16) 2_584 2_584
C43 O13 Tb3 144.6(4) . .
C43 O14 Eu3 139.5(4) . 2_593
C43 O14 Tb3 139.5(4) . 2_593
Eu3 O14 Tb3 0.000(15) 2_593 2_593
C44 O15 Eu4 93.2(4) . 2_494
C44 O15 Tb4 93.2(4) . 2_494
Eu4 O15 Tb4 0.00(2) 2_494 2_494
C44 O16 Eu4 92.7(4) . 2_494
C44 O16 Tb4 92.7(4) . 2_494
Eu4 O16 Tb4 0.000(15) 2_494 2_494
C45 O17 Tb2 140.3(4) . .
C58 O19 Tb4 173.7(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 173.2(5) . 2_594
C59 O21 Tb3 173.2(5) . 2_594
Eu3 O21 Tb3 0.000(17) 2_594 2_594
C59 O22 Eu3 119.0(4) . 1_556
C59 O22 Tb3 119.0(4) . 1_556
Eu3 O22 Tb3 0.000(15) 1_556 1_556
C60 O23 Tb1 92.2(4) . .
C60 O24 Tb1 92.8(4) . .
Tb1 O25 H25A 126(2) . .
Tb1 O25 H25B 128(2) . .
H25A O25 H25B 103(2) . .
Tb1 O26 H26A 129.1(19) . .
Tb1 O26 H26B 129.2(19) . .
H26A O26 H26B 101.7(16) . .
C61 O27 Tb2 156.8(11) . .
Tb2 O28 H28A 123(2) . .
Tb2 O28 H28B 122(2) . .
H28A O28 H28B 109(3) . .
Tb2 O29 H29A 126(2) . .
Tb2 O29 H29B 128(2) . .
H29A O29 H29B 104(2) . .
C64 O30 Tb3 125.0(7) . .
Tb3 O31 H31A 128(2) . .
Tb3 O31 H31B 128(2) . .
H31A O31 H31B 104(2) . .
Tb4 O32 H32A 122(2) . .
Tb4 O32 H32B 122(2) . .
H32A O32 H32B 103(3) . .
Tb4 O33 H33A 122(2) . .
Tb4 O33 H33B 123(2) . .
H33A O33 H33B 105(3) . .
Tb4 O34 H34A 127(2) . .
Tb4 O34 H34B 127(2) . .
H34A O34 H34B 101(2) . .
C2 C1 C6 119.5(6) . .
C2 C1 C13 119.0(5) . .
C6 C1 C13 121.5(5) . .
C3 C2 C1 120.5(6) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C2 C3 C4 120.3(6) . .
C2 C3 C14 120.2(5) . .
C4 C3 C14 119.4(6) . .
C3 C4 C5 120.2(6) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 118.7(6) . .
C6 C5 C7 122.2(6) . .
C4 C5 C7 119.1(6) . .
C5 C6 C1 120.7(6) . .
C5 C6 H6 119.6 . .
C1 C6 H6 119.6 . .
C12 C7 C8 118.3(6) . .
C12 C7 C5 121.5(6) . .
C8 C7 C5 120.1(6) . .
C7 C8 C9 119.5(7) . .
C7 C8 H8 120.3 . .
C9 C8 H8 120.3 . .
C10 C9 C8 121.4(7) . .
C10 C9 H9 119.3 . .
C8 C9 H9 119.3 . .
C11 C10 C9 118.8(6) . .
C11 C10 C15 120.5(6) . .
C9 C10 C15 120.7(6) . .
C10 C11 C12 119.9(7) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C7 C12 C11 121.7(7) . .
C7 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
O2 C13 O1 121.5(6) . .
O2 C13 C1 118.0(5) . .
O1 C13 C1 120.5(5) . .
O2 C13 Tb1 51.0(3) . .
O1 C13 Tb1 70.6(3) . .
C1 C13 Tb1 168.1(4) . .
O3 C14 O4 124.0(6) . .
O3 C14 C3 118.5(6) . .
O4 C14 C3 117.5(6) . .
O6 C15 O5 120.8(6) . .
O6 C15 C10 120.4(6) . .
O5 C15 C10 118.8(6) . .
O6 C15 Tb3 60.6(3) . .
O5 C15 Tb3 60.4(3) . .
C10 C15 Tb3 175.3(5) . .
C17 C16 C21 119.8(6) . .
C17 C16 C28 120.3(6) . .
C21 C16 C28 119.9(6) . .
C16 C17 C18 119.8(6) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C19 C18 C17 119.5(6) . .
C19 C18 C29 120.2(6) . .
C17 C18 C29 120.3(6) . .
C18 C19 C20 121.5(6) . .
C18 C19 H19 119.2 . .
C20 C19 H19 119.2 . .
C21 C20 C19 117.5(6) . .
C21 C20 C22 122.0(6) . .
C19 C20 C22 120.2(6) . .
C16 C21 C20 121.9(6) . .
C16 C21 H21 119.0 . .
C20 C21 H21 119.0 . .
C27 C22 C23 118.0(6) . .
C27 C22 C20 121.2(7) . .
C23 C22 C20 120.7(6) . .
C22 C23 C24 122.3(7) . .
C22 C23 H23 118.9 . .
C24 C23 H23 118.9 . .
C23 C24 C25 120.1(8) . .
C23 C24 H24 119.9 . .
C25 C24 H24 119.9 . .
C26 C25 C24 117.7(7) . .
C26 C25 C30 120.9(6) . .
C24 C25 C30 121.3(7) . .
C25 C26 C27 121.5(7) . .
C25 C26 H26 119.2 . .
C27 C26 H26 119.2 . .
C22 C27 C26 120.4(7) . .
C22 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
O8 C28 O7 120.7(6) . .
O8 C28 C16 119.8(6) . .
O7 C28 C16 119.5(5) . .
O8 C28 Tb2 59.9(3) . .
O7 C28 Tb2 61.2(3) . .
C16 C28 Tb2 172.9(5) . .
O10 C29 O9 125.9(6) . .
O10 C29 C18 116.3(5) . .
O9 C29 C18 117.8(5) . .
O12 C30 O11 123.6(6) . .
O12 C30 C25 117.6(7) . .
O11 C30 C25 118.7(6) . .
C32 C31 C36 119.1(6) . .
C32 C31 C43 121.0(6) . .
C36 C31 C43 119.9(6) . .
C31 C32 C33 121.1(6) . .
C31 C32 H32 119.5 . .
C33 C32 H32 119.5 . .
C34 C33 C32 119.0(6) . .
C34 C33 C44 120.0(5) . .
C32 C33 C44 120.9(6) . .
C33 C34 C35 121.4(6) . .
C33 C34 H34 119.3 . .
C35 C34 H34 119.3 . .
C34 C35 C36 118.4(6) . .
C34 C35 C37 120.8(6) . .
C36 C35 C37 120.7(6) . .
C31 C36 C35 121.0(6) . .
C31 C36 H36 119.5 . .
C35 C36 H36 119.5 . .
C38 C37 C42 118.0(6) . .
C38 C37 C35 120.1(6) . .
C42 C37 C35 121.9(6) . .
C37 C38 C39 120.8(7) . .
C37 C38 H38 119.6 . .
C39 C38 H38 119.6 . .
C40 C39 C38 120.7(7) . .
C40 C39 H39 119.6 . .
C38 C39 H39 119.6 . .
C41 C40 C39 119.0(7) . .
C41 C40 C45 121.9(7) . .
C39 C40 C45 119.1(7) . .
C40 C41 C42 120.5(7) . .
C40 C41 H41 119.7 . .
C42 C41 H41 119.7 . .
C41 C42 C37 120.9(7) . .
C41 C42 H42 119.6 . .
C37 C42 H42 119.6 . .
O13 C43 O14 125.3(6) . .
O13 C43 C31 117.0(6) . .
O14 C43 C31 117.7(6) . .
O16 C44 O15 121.1(6) . .
O16 C44 C33 120.2(5) . .
O15 C44 C33 118.7(6) . .
O16 C44 Eu4 61.2(3) . 2_494
O15 C44 Eu4 60.0(3) . 2_494
C33 C44 Eu4 177.8(5) . 2_494
O16 C44 Tb4 61.2(3) . 2_494
O15 C44 Tb4 60.0(3) . 2_494
C33 C44 Tb4 177.8(5) . 2_494
Eu4 C44 Tb4 0.000(18) 2_494 2_494
O18 C45 O17 124.6(7) . .
O18 C45 C40 118.7(7) . .
O17 C45 C40 116.7(6) . .
C47 C46 C51 119.3(6) . .
C47 C46 C58 119.8(5) . .
C51 C46 C58 120.9(6) . .
C46 C47 C48 120.5(5) . .
C46 C47 H47 119.7 . .
C48 C47 H47 119.7 . .
C49 C48 C47 119.3(6) . .
C49 C48 C59 121.8(5) . .
C47 C48 C59 118.9(5) . .
C48 C49 C50 122.0(6) . .
C48 C49 H49 119.0 . .
C50 C49 H49 119.0 . .
C49 C50 C51 118.9(6) . .
C49 C50 C52 121.3(6) . .
C51 C50 C52 119.8(6) . .
C50 C51 C46 119.9(6) . .
C50 C51 H51 120.0 . .
C46 C51 H51 120.0 . .
C53 C52 C57 117.9(6) . .
C53 C52 C50 122.2(6) . .
C57 C52 C50 120.0(6) . .
C52 C53 C54 121.9(6) . .
C52 C53 H53 119.1 . .
C54 C53 H53 119.1 . .
C53 C54 C55 119.8(6) . .
C53 C54 H54 120.1 . .
C55 C54 H54 120.1 . .
C56 C55 C54 119.0(6) . .
C56 C55 C60 119.9(6) . .
C54 C55 C60 121.1(6) . .
C55 C56 C57 121.2(7) . .
C55 C56 H56 119.4 . .
C57 C56 H56 119.4 . .
C52 C57 C56 120.2(7) . .
C52 C57 H57 119.9 . .
C56 C57 H57 119.9 . .
O19 C58 O20 123.8(6) . .
O19 C58 C46 119.5(6) . .
O20 C58 C46 116.8(6) . .
O21 C59 O22 123.8(6) . .
O21 C59 C48 117.7(6) . .
O22 C59 C48 118.5(6) . .
O21 C59 Eu3 84.2(4) . 1_556
O22 C59 Eu3 41.0(3) . 1_556
C48 C59 Eu3 154.4(4) . 1_556
O23 C60 O24 122.2(6) . .
O23 C60 C55 118.6(6) . .
O24 C60 C55 119.3(6) . .
O23 C60 Tb1 61.5(4) . .
O24 C60 Tb1 60.8(3) . .
C55 C60 Tb1 176.2(5) . .
C61 N1 C62 130.5(17) . .
C61 N1 C63 109.8(15) . .
C62 N1 C63 116.8(16) . .
C64 N2 C66 117.0(11) . .
C64 N2 C65 119.6(11) . .
C66 N2 C65 123.5(12) . .
O27 C61 N1 128.4(19) . .
O27 C61 H61 115.8 . .
N1 C61 H61 115.8 . .
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 124.2(11) . .
O30 C64 H64 117.9 . .
N2 C64 H64 117.9 . .
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 121.8(9) . .
C67 N3 C68 117.4(9) . .
C69 N3 C68 120.7(10) . .
O35 C67 N3 122.7(10) . .
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 121.2(10) . .
C70 N4 C72 119.6(10) . .
C71 N4 C72 119.2(9) . .
O36 C70 N4 124.8(11) . .
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 121.1(9) . .
C73 N5 C74 119.3(8) . .
C75 N5 C74 119.7(8) . .
O37 C73 N5 123.5(9) . .
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 120(4) . .
C76 N6 C78 94(3) . .
C77 N6 C78 146(4) . .
N6 C76 O38 109(3) . .
N6 C76 H76 125.7 . .
O38 C76 H76 125.7 . .
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(3) . .
C80 N7 C79 117(3) . .
C81 N7 C79 111(3) . .
O39 C79 N7 122(3) . .
O39 C79 H79 118.9 . .
N7 C79 H79 118.9 . .
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 2.339(4) 2_594
Tb1 O10 2.365(4) 2_584
Tb1 O9 2.375(4) 1_565
Tb1 O2 2.409(5) .
Tb1 O26 2.427(5) .
Tb1 O24 2.459(5) .
Tb1 O25 2.474(5) .
Tb1 O23 2.474(5) .
Tb1 C60 2.813(6) .
Tb1 O1 2.836(5) .
Tb1 C13 2.993(6) .
Tb1 Eu1 4.0414(15) 2_594
Tb2 O17 2.292(5) .
Tb2 O4 2.324(5) 2_484
Tb2 O3 2.327(5) .
Tb2 O27 2.346(6) .
Tb2 O28 2.468(5) .
Tb2 O8 2.473(4) .
Tb2 O29 2.482(5) .
Tb2 O7 2.500(4) .
Tb2 C28 2.852(6) .
Tb3 O21 2.296(5) 2_594
Tb3 O13 2.338(4) .
Tb3 O14 2.399(4) 2_593
Tb3 O22 2.402(4) 1_554
Tb3 O30 2.410(5) .
Tb3 O5 2.452(5) .
Tb3 O6 2.456(5) .
Tb3 O31 2.471(5) .
Tb3 C15 2.815(6) .
Tb4 O19 2.309(5) .
Tb4 O20 2.313(4) 2_485
Tb4 O12 2.323(4) 2_584
Tb4 O33 2.439(5) .
Tb4 O32 2.450(6) .
Tb4 O15 2.451(5) 2_494
Tb4 O34 2.465(5) .
Tb4 O16 2.478(4) 2_494
Tb4 C44 2.826(7) 2_494
O1 C13 1.266(7) .
O1 Eu1 2.339(4) 2_594
O1 Tb1 2.339(4) 2_594
O2 C13 1.263(7) .
O3 C14 1.240(8) .
O4 C14 1.259(7) .
O4 Eu2 2.324(5) 2_484
O4 Tb2 2.324(5) 2_484
O5 C15 1.256(8) .
O6 C15 1.241(8) .
O7 C28 1.273(8) .
O8 C28 1.257(7) .
O9 C29 1.265(7) .
O9 Eu1 2.375(4) 1_545
O9 Tb1 2.375(4) 1_545
O10 C29 1.257(7) .
O10 Eu1 2.365(4) 2_584
O10 Tb1 2.365(4) 2_584
O11 C30 1.262(9) .
O12 C30 1.255(8) .
O12 Eu4 2.323(4) 2_584
O12 Tb4 2.323(4) 2_584
O13 C43 1.252(8) .
O14 C43 1.263(8) .
O14 Eu3 2.399(4) 2_593
O14 Tb3 2.399(4) 2_593
O15 C44 1.276(7) .
O15 Eu4 2.451(5) 2_494
O15 Tb4 2.451(5) 2_494
O16 C44 1.247(7) .
O16 Eu4 2.478(4) 2_494
O16 Tb4 2.478(4) 2_494
O17 C45 1.256(9) .
O18 C45 1.246(9) .
O19 C58 1.244(7) .
O20 C58 1.247(7) .
O20 Eu4 2.313(4) 2_485
O20 Tb4 2.313(4) 2_485
O21 C59 1.253(7) .
O21 Eu3 2.296(5) 2_594
O21 Tb3 2.296(5) 2_594
O22 C59 1.254(7) .
O22 Eu3 2.402(4) 1_556
O22 Tb3 2.402(4) 1_556
O23 C60 1.246(8) .
O24 C60 1.250(8) .
O25 H25A 1.026(19) .
O25 H25B 1.007(19) .
O26 H26A 1.022(17) .
O26 H26B 1.022(17) .
O27 C61 1.132(18) .
O28 H28A 0.99(2) .
O28 H28B 0.99(2) .
O29 H29A 1.018(19) .
O29 H29B 0.999(19) .
O30 C64 1.260(12) .
O31 H31A 1.011(18) .
O31 H31B 1.011(18) .
O32 H32A 1.00(2) .
O32 H32B 1.01(2) .
O33 H33A 1.01(2) .
O33 H33B 1.00(2) .
O34 H34A 1.022(19) .
O34 H34B 1.024(19) .
C1 C2 1.393(8) .
C1 C6 1.396(8) .
C1 C13 1.504(9) .
C2 C3 1.378(9) .
C2 H2 0.9300 .
C3 C4 1.384(8) .
C3 C14 1.505(8) .
C4 C5 1.415(9) .
C4 H4 0.9300 .
C5 C6 1.391(9) .
C5 C7 1.506(8) .
C6 H6 0.9300 .
C7 C12 1.370(10) .
C7 C8 1.382(10) .
C8 C9 1.401(10) .
C8 H8 0.9300 .
C9 C10 1.370(10) .
C9 H9 0.9300 .
C10 C11 1.370(10) .
C10 C15 1.516(8) .
C11 C12 1.391(9) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C16 C17 1.379(9) .
C16 C21 1.391(9) .
C16 C28 1.504(9) .
C17 C18 1.404(9) .
C17 H17 0.9300 .
C18 C19 1.389(9) .
C18 C29 1.510(9) .
C19 C20 1.399(9) .
C19 H19 0.9300 .
C20 C21 1.390(9) .
C20 C22 1.490(9) .
C21 H21 0.9300 .
C22 C27 1.376(9) .
C22 C23 1.381(11) .
C23 C24 1.384(10) .
C23 H23 0.9300 .
C24 C25 1.399(10) .
C24 H24 0.9300 .
C25 C26 1.381(10) .
C25 C30 1.486(9) .
C26 C27 1.405(10) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C31 C32 1.383(9) .
C31 C36 1.391(9) .
C31 C43 1.506(8) .
C32 C33 1.389(8) .
C32 H32 0.9300 .
C33 C34 1.384(9) .
C33 C44 1.495(9) .
C34 C35 1.389(9) .
C34 H34 0.9300 .
C35 C36 1.399(9) .
C35 C37 1.497(9) .
C36 H36 0.9300 .
C37 C38 1.375(10) .
C37 C42 1.404(10) .
C38 C39 1.399(10) .
C38 H38 0.9300 .
C39 C40 1.383(10) .
C39 H39 0.9300 .
C40 C41 1.372(11) .
C40 C45 1.516(9) .
C41 C42 1.392(10) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C44 Eu4 2.826(7) 2_494
C44 Tb4 2.826(7) 2_494
C46 C47 1.395(8) .
C46 C51 1.409(8) .
C46 C58 1.481(8) .
C47 C48 1.398(8) .
C47 H47 0.9300 .
C48 C49 1.374(8) .
C48 C59 1.501(8) .
C49 C50 1.387(9) .
C49 H49 0.9300 .
C50 C51 1.406(9) .
C50 C52 1.494(8) .
C51 H51 0.9300 .
C52 C53 1.383(9) .
C52 C57 1.388(9) .
C53 C54 1.385(9) .
C53 H53 0.9300 .
C54 C55 1.385(10) .
C54 H54 0.9300 .
C55 C56 1.369(10) .
C55 C60 1.513(9) .
C56 C57 1.396(9) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C59 Eu3 3.204(6) 1_556
N1 C61 1.341(18) .
N1 C62 1.52(2) .
N1 C63 1.51(2) .
N2 C64 1.355(14) .
N2 C66 1.483(17) .
N2 C65 1.494(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 1.255(11) .
N3 C67 1.330(12) .
N3 C69 1.412(13) .
N3 C68 1.441(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 1.249(12) .
N4 C70 1.295(12) .
N4 C71 1.439(14) .
N4 C72 1.487(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 1.227(11) .
N5 C73 1.331(11) .
N5 C75 1.421(12) .
N5 C74 1.430(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 1.62(3) .
N6 C76 1.380(18) .
N6 C77 1.405(18) .
N6 C78 1.439(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 1.454(19) .
N7 C80 1.443(18) .
N7 C81 1.465(18) .
N7 C79 1.468(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 1.007(19) 1.69(4) 2.687(8) 168(13) 2_494
O26 H26A O36 1.022(17) 1.77(7) 2.770(9) 164(21) 2_585
O26 H26B O37 1.022(17) 1.87(9) 2.815(9) 153(16) 1_474
O28 H28A O8 0.99(2) 2.40(18) 2.892(7) 110(13) 2_484
O28 H28B O18 0.99(2) 1.93(5) 2.716(8) 134(5) .
O29 H29A O36 1.018(19) 1.81(12) 2.720(9) 147(18) 1_464
O29 H29B O37 0.999(19) 2.24(19) 2.848(9) 118(15) 2_575
O31 H31A O35 1.011(18) 1.97(15) 2.790(8) 136(17) 2_674
O31 H31B O11 1.011(18) 1.88(6) 2.858(7) 162(17) .
O32 H32A O38 1.00(2) 1.85(4) 2.764(17) 150(8) 2_575
O32 H32B O3W 1.01(2) 2.20(12) 3.062(18) 143(16) 2_575
O33 H33A O11 1.01(2) 2.03(15) 2.664(7) 119(12) 2_584
O33 H33B O2W 1.00(2) 1.82(9) 2.754(11) 154(17) 2_575
O34 H34A O16 1.022(19) 1.84(9) 2.797(6) 154(16) 1_546
O34 H34B O35 1.024(19) 1.79(4) 2.806(8) 171(18) 1_465
