#------------------------------------------------------------------------------
#$Date: 2019-05-21 03:39:58 +0300 (Tue, 21 May 2019) $
#$Revision: 215335 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/35/7123504.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_7123504
loop_
_publ_author_name
'Li, Bei-Bei'
'Wang, Wenjing'
'Hong, Zixiao'
'M. El-Sayed, El-Sayed'
'Yuan, Daqiang'
_publ_section_title
;
 Ratiometric fluorescent detecting trace water in organic solvent based on
 bimetallic lanthanide metal-organic frameworks
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC02324K
_journal_year                    2019
_chemical_formula_moiety
'C88 H152 N7 O86 P6 Tb5, (C4 H9 N O), 43(H2 O)'
_chemical_formula_sum            'C88 H152 N7 O86 P6 Tb5'
_chemical_formula_weight         3664.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-05-17 deposited with the CCDC.    2019-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.899(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.1382(10)
_cell_length_b                   18.2040(11)
_cell_length_c                   29.7178(13)
_cell_measurement_reflns_used    7483
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      70.3640
_cell_measurement_theta_min      3.3580
_cell_volume                     17574.3(15)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_av_unetI/netI     0.1025
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            34242
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.690
_diffrn_reflns_theta_min         3.456
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    10.974
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.11312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       block
_exptl_crystal_F_000             7328
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.250
_refine_diff_density_max         1.173
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     713
_refine_ls_number_reflns         17064
_refine_ls_number_restraints     789
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.1504
_refine_ls_R_factor_gt           0.0797
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1319P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2558
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7394
_reflns_number_total             17064
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc02324k2.cif
_cod_data_source_block           Tb
_cod_database_code               7123504
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.137
_shelx_estimated_absorpt_t_max   0.170
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.12307(2) 0.68314(4) 0.42485(2) 0.0736(2) Uani 1 1 d . . . . .
Tb2 Tb 0.04233(2) 0.61327(4) 0.31784(3) 0.0869(3) Uani 1 1 d . . . . .
Tb3 Tb 0.250000 0.750000 0.500000 0.0944(4) Uani 1 2 d S . P . .
P1 P 0.30260(8) 0.5111(2) 0.27888(13) 0.1041(12) Uani 1 1 d . . . . .
P2 P 0.38205(8) 0.49401(19) 0.33535(11) 0.0852(9) Uani 1 1 d . . . . .
P3 P 0.32076(10) 0.4011(2) 0.34363(18) 0.1169(14) Uani 1 1 d . . . . .
O1 O 0.2790(2) 0.5834(5) 0.2881(3) 0.116(3) Uani 1 1 d . . . . .
O2 O 0.40866(19) 0.5554(4) 0.3708(3) 0.092(2) Uani 1 1 d . . . . .
O3 O 0.3013(3) 0.3903(5) 0.3864(4) 0.141(4) Uani 1 1 d . . . . .
O4 O 0.2838(2) 0.5084(6) 0.2230(3) 0.134(4) Uani 1 1 d . . . . .
O5 O 0.41680(18) 0.4653(4) 0.3149(3) 0.091(2) Uani 1 1 d . . . . .
O6 O 0.3215(3) 0.3151(5) 0.3328(5) 0.165(5) Uani 1 1 d . . . . .
O7 O 0.0954(2) 0.5540(5) 0.2945(3) 0.106(3) Uani 1 1 d . . . . .
O8 O 0.11889(19) 0.6407(4) 0.3465(3) 0.087(2) Uani 1 1 d . . . . .
O11 O 0.2920(2) 0.7465(6) 0.4506(3) 0.125(3) Uani 1 1 d . . . . .
O12 O 0.3417(4) 0.7491(7) 0.5087(4) 0.174(5) Uani 1 1 d . U . . .
O13 O 0.2937(4) 0.2737(8) 0.0733(5) 0.185(5) Uani 1 1 d . U . . .
O14 O 0.3578(3) 0.2863(6) 0.1082(3) 0.117(3) Uani 1 1 d . . . . .
O15 O 0.4512(2) 0.1853(5) 0.2410(4) 0.104(3) Uani 1 1 d . . . . .
O16 O 0.4791(2) 0.1545(5) 0.3167(4) 0.106(3) Uani 1 1 d . . . . .
O17 O 0.5575(2) 0.2274(5) 0.3557(4) 0.122(3) Uani 1 1 d . . . . .
O18 O 0.5696(3) 0.2712(6) 0.4295(4) 0.135(4) Uani 1 1 d . . . . .
O20 O 0.0699(2) 0.5929(6) 0.4011(3) 0.128(3) Uani 1 1 d . . . . .
H21 H 0.061770 0.557590 0.420041 0.154 Uiso 1 1 calc R U . . .
O22 O 0.0165(5) 0.4938(9) 0.3161(8) 0.130(6) Uani 0.5 1 d . U P . .
O23 O 0.000000 0.5434(9) 0.250000 0.128(3) Uani 1 2 d S T P . .
H22 H 0.000000 0.491259 0.250000 0.154 Uiso 1 2 calc R U P . .
N1 N 0.2895(3) 0.4404(6) 0.3014(4) 0.105(3) Uani 1 1 d . . . . .
N2 N 0.3490(2) 0.5327(5) 0.2929(3) 0.090(3) Uani 1 1 d . . . . .
N3 N 0.3664(2) 0.4333(5) 0.3636(4) 0.089(3) Uani 1 1 d . . . . .
C1 C 0.2388(3) 0.5827(6) 0.2925(4) 0.096(4) Uani 1 1 d D U . . .
C2 C 0.2097(3) 0.5318(7) 0.2718(4) 0.136(5) Uani 1 1 d D U . . .
H2 H 0.215228 0.494063 0.252493 0.163 Uiso 1 1 calc R U . . .
C3 C 0.1715(3) 0.5367(7) 0.2795(4) 0.127(5) Uani 1 1 d D U . . .
H3 H 0.150348 0.502805 0.264620 0.152 Uiso 1 1 calc R U . . .
C4 C 0.1644(2) 0.5905(6) 0.3088(3) 0.077(3) Uani 1 1 d D U . . .
C5 C 0.1943(3) 0.6407(6) 0.3284(4) 0.093(3) Uani 1 1 d D U . . .
H5 H 0.188923 0.678247 0.347859 0.112 Uiso 1 1 calc R U . . .
C6 C 0.2322(3) 0.6388(7) 0.3209(4) 0.098(4) Uani 1 1 d D U . . .
H6 H 0.252842 0.674221 0.334591 0.118 Uiso 1 1 calc R U . . .
C7 C 0.1236(3) 0.5934(7) 0.3178(4) 0.085(3) Uani 1 1 d . . . . .
C8 C 0.2779(3) 0.4415(6) 0.3999(4) 0.098(3) Uani 1 1 d D U . . .
C11 C 0.2303(3) 0.5397(6) 0.4312(4) 0.089(3) Uani 1 1 d D U . . .
C15 C 0.3897(3) 0.6033(6) 0.3943(3) 0.082(3) Uani 1 1 d D U . . .
C16 C 0.3602(3) 0.6517(6) 0.3703(4) 0.103(4) Uani 1 1 d D U . . .
H16 H 0.353243 0.656039 0.336922 0.124 Uiso 1 1 calc R U . . .
C17 C 0.3400(3) 0.6949(7) 0.3956(3) 0.101(4) Uani 1 1 d D U . . .
H17 H 0.318557 0.727344 0.379349 0.121 Uiso 1 1 calc R U . . .
C18 C 0.3517(3) 0.6899(6) 0.4438(3) 0.071(3) Uani 1 1 d D U . . .
C19 C 0.3831(3) 0.6450(7) 0.4670(4) 0.104(4) Uani 1 1 d D U . . .
H19 H 0.392212 0.644725 0.500547 0.125 Uiso 1 1 calc R U . . .
C20 C 0.4020(3) 0.5995(7) 0.4427(3) 0.095(3) Uani 1 1 d D U . . .
H20 H 0.423017 0.566430 0.459250 0.114 Uiso 1 1 calc R U . . .
C21 C 0.3270(4) 0.7312(9) 0.4677(6) 0.125(3) Uani 1 1 d . . . . .
C22 C 0.4493(2) 0.4181(6) 0.3341(3) 0.075(3) Uani 1 1 d D U . . .
C23 C 0.4658(3) 0.4084(6) 0.3822(4) 0.089(3) Uani 1 1 d D U . . .
H23 H 0.454532 0.433014 0.403615 0.107 Uiso 1 1 calc R U . . .
C24 C 0.4992(3) 0.3621(6) 0.3986(4) 0.103(4) Uani 1 1 d D U . . .
H24 H 0.511488 0.355977 0.431729 0.123 Uiso 1 1 calc R U . . .
C25 C 0.5152(3) 0.3247(6) 0.3680(3) 0.087(3) Uani 1 1 d D U . . .
C26 C 0.4987(2) 0.3370(5) 0.3201(3) 0.074(3) Uani 1 1 d D U . . .
H26 H 0.510198 0.313119 0.298645 0.089 Uiso 1 1 calc R U . . .
C27 C 0.4661(2) 0.3832(5) 0.3033(4) 0.074(3) Uani 1 1 d D U . . .
H27 H 0.454993 0.391462 0.270245 0.089 Uiso 1 1 calc R U . . .
C28 C 0.5494(3) 0.2705(8) 0.3863(6) 0.107(5) Uani 1 1 d . . . . .
C29 C 0.3547(3) 0.2827(6) 0.3196(5) 0.114(4) Uani 1 1 d D U . . .
C30 C 0.3862(3) 0.2527(6) 0.3551(5) 0.129(5) Uani 1 1 d D U . . .
H30 H 0.386424 0.254284 0.387111 0.154 Uiso 1 1 calc R U . . .
C31 C 0.4175(3) 0.2200(6) 0.3422(5) 0.110(4) Uani 1 1 d D U . . .
H31 H 0.440169 0.199165 0.365880 0.132 Uiso 1 1 calc R U . . .
C32 C 0.4168(2) 0.2169(6) 0.2957(4) 0.087(3) Uani 1 1 d D U . . .
C33 C 0.3848(3) 0.2483(7) 0.2611(5) 0.112(4) Uani 1 1 d D U . . .
H33 H 0.384542 0.247071 0.229076 0.135 Uiso 1 1 calc R U . . .
C34 C 0.3526(3) 0.2820(7) 0.2729(5) 0.123(5) Uani 1 1 d D U . . .
H34 H 0.330082 0.303606 0.249477 0.148 Uiso 1 1 calc R U . . .
C35 C 0.4523(3) 0.1810(7) 0.2859(6) 0.096(4) Uani 1 1 d . . . . .
C36 C 0.2950(3) 0.4550(7) 0.1956(4) 0.098(4) Uani 1 1 d D U . . .
C37 C 0.3338(3) 0.4471(7) 0.1941(4) 0.130(5) Uani 1 1 d D U . . .
H37 H 0.355144 0.477299 0.213410 0.156 Uiso 1 1 calc R U . . .
C38 C 0.3427(3) 0.3962(7) 0.1651(4) 0.112(4) Uani 1 1 d D U . . .
H38 H 0.370506 0.389482 0.165845 0.134 Uiso 1 1 calc R U . . .
C39 C 0.3127(3) 0.3547(7) 0.1352(4) 0.089(3) Uani 1 1 d D U . . .
C40 C 0.2730(3) 0.3633(9) 0.1377(5) 0.141(5) Uani 1 1 d D U . . .
H40 H 0.251375 0.333918 0.118190 0.169 Uiso 1 1 calc R U . . .
C41 C 0.2643(3) 0.4130(8) 0.1678(5) 0.130(5) Uani 1 1 d D U . . .
H41 H 0.237011 0.418063 0.169247 0.155 Uiso 1 1 calc R U . . .
C42 C 0.3241(5) 0.3044(8) 0.1031(4) 0.101(4) Uani 1 1 d . . . . .
O19A O 0.2659(5) 0.6086(12) 0.5286(6) 0.128(6) Uani 0.5 1 d . U P A 1
O9A O 0.1566(4) 0.5638(9) 0.4318(6) 0.075(4) Uani 0.5 1 d D . P A 1
O10A O 0.1999(4) 0.6549(10) 0.4426(5) 0.086(5) Uani 0.5 1 d D . P A 1
C9A C 0.2872(6) 0.5146(8) 0.4058(6) 0.092(6) Uani 0.5 1 d D U P B 1
H9A H 0.311858 0.531677 0.400829 0.111 Uiso 0.5 1 calc R U P B 1
C10A C 0.2624(5) 0.5644(10) 0.4186(6) 0.081(5) Uani 0.5 1 d D U P B 1
H10A H 0.267874 0.615525 0.418577 0.097 Uiso 0.5 1 calc R U P B 1
C12A C 0.2173(6) 0.4688(9) 0.4212(9) 0.087(7) Uani 0.5 1 d D U P B 1
H12A H 0.191025 0.453945 0.422591 0.104 Uiso 0.5 1 calc R U P B 1
C13A C 0.2426(6) 0.4193(11) 0.4090(10) 0.106(7) Uani 0.5 1 d D U P B 1
H13A H 0.235610 0.368648 0.406916 0.127 Uiso 0.5 1 calc R U P B 1
C14A C 0.1935(6) 0.5844(12) 0.4362(13) 0.106(10) Uani 0.5 1 d D U P A 1
O19B O 0.1093(5) 0.6361(10) 0.4912(5) 0.111(6) Uani 0.5 1 d . U P A 2
O9B O 0.1747(5) 0.5961(10) 0.4420(7) 0.079(5) Uani 0.5 1 d D U P A 2
O10B O 0.2340(5) 0.6432(9) 0.4844(5) 0.103(5) Uani 0.5 1 d D . P A 2
C9B C 0.2967(6) 0.4936(9) 0.4307(6) 0.100(7) Uani 0.5 1 d D U P B 2
H9B H 0.325843 0.497037 0.441169 0.119 Uiso 0.5 1 calc R U P B 2
C10B C 0.2735(5) 0.5416(12) 0.4468(8) 0.104(6) Uani 0.5 1 d D U P B 2
H10B H 0.287015 0.577624 0.469356 0.125 Uiso 0.5 1 calc R U P B 2
C12B C 0.2127(6) 0.4852(12) 0.4012(8) 0.096(7) Uani 0.5 1 d D U P B 2
H12B H 0.183707 0.478499 0.392565 0.116 Uiso 0.5 1 calc R U P B 2
C13B C 0.2356(5) 0.4392(13) 0.3828(9) 0.104(8) Uani 0.5 1 d D U P B 2
H13B H 0.222351 0.405741 0.358284 0.124 Uiso 0.5 1 calc R U P B 2
C14B C 0.2139(6) 0.5976(13) 0.4549(9) 0.095(8) Uani 0.5 1 d D U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 '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
O14 Tb1 O9B 110.9(6) 4 .
O14 Tb1 O12 77.8(4) 4 7_566
O14 Tb1 O19B 144.9(6) 4 .
O9B Tb1 O19B 84.2(6) . .
O12 Tb1 O19B 70.2(6) 7_566 .
O14 Tb1 O20 136.4(3) 4 .
O9B Tb1 O20 93.0(5) . .
O12 Tb1 O20 139.8(4) 7_566 .
O19B Tb1 O20 70.4(6) . .
O14 Tb1 O8 77.9(3) 4 .
O9B Tb1 O8 79.0(5) . .
O12 Tb1 O8 148.2(4) 7_566 .
O19B Tb1 O8 137.1(6) . .
O20 Tb1 O8 71.4(3) . .
O14 Tb1 O9A 125.2(5) 4 .
O12 Tb1 O9A 107.1(5) 7_566 .
O20 Tb1 O9A 72.9(4) . .
O8 Tb1 O9A 71.6(4) . .
O14 Tb1 O18 78.8(4) 4 3_455
O12 Tb1 O18 78.8(4) 7_566 3_455
O20 Tb1 O18 87.5(4) . 3_455
O8 Tb1 O18 115.9(3) . 3_455
O9A Tb1 O18 155.9(5) . 3_455
O14 Tb1 O10A 81.1(5) 4 .
O12 Tb1 O10A 72.7(5) 7_566 .
O20 Tb1 O10A 124.0(5) . .
O8 Tb1 O10A 83.6(4) . .
O9A Tb1 O10A 51.6(5) . .
O18 Tb1 O10A 147.9(5) 3_455 .
O14 Tb1 O17 72.8(3) 4 3_455
O12 Tb1 O17 126.1(3) 7_566 3_455
O20 Tb1 O17 66.3(3) . 3_455
O8 Tb1 O17 64.2(2) . 3_455
O9A Tb1 O17 126.8(4) . 3_455
O18 Tb1 O17 52.0(3) 3_455 3_455
O10A Tb1 O17 141.8(4) . 3_455
O14 Tb1 C28 73.1(4) 4 3_455
O12 Tb1 C28 101.8(4) 7_566 3_455
O20 Tb1 C28 76.9(4) . 3_455
O8 Tb1 C28 90.4(3) . 3_455
O9A Tb1 C28 148.4(5) . 3_455
O18 Tb1 C28 25.5(3) 3_455 3_455
O10A Tb1 C28 154.2(5) . 3_455
O17 Tb1 C28 26.5(3) 3_455 3_455
O14 Tb1 Tb2 98.4(2) 4 .
O9B Tb1 Tb2 105.6(5) . .
O12 Tb1 Tb2 163.3(3) 7_566 .
O19B Tb1 Tb2 108.0(5) . .
O20 Tb1 Tb2 38.6(2) . .
O8 Tb1 Tb2 42.32(15) . .
O9A Tb1 Tb2 88.5(4) . .
O18 Tb1 Tb2 84.5(3) 3_455 .
O10A Tb1 Tb2 123.2(3) . .
O17 Tb1 Tb2 38.59(19) 3_455 .
C28 Tb1 Tb2 61.7(3) 3_455 .
O15 Tb2 O16 96.6(3) 4 3_455
O15 Tb2 O22 130.6(6) 4 .
O16 Tb2 O22 87.5(4) 3_455 .
O15 Tb2 O17 78.3(4) 4 3_455
O16 Tb2 O17 77.5(3) 3_455 3_455
O22 Tb2 O17 149.3(6) . 3_455
O15 Tb2 O7 76.9(3) 4 .
O16 Tb2 O7 161.0(3) 3_455 .
O22 Tb2 O7 83.6(5) . .
O17 Tb2 O7 117.7(3) 3_455 .
O15 Tb2 O20 142.5(3) 4 .
O16 Tb2 O20 97.9(3) 3_455 .
O22 Tb2 O20 84.5(6) . .
O17 Tb2 O20 71.5(4) 3_455 .
O7 Tb2 O20 97.9(3) . .
O15 Tb2 O23 80.6(4) 4 .
O16 Tb2 O23 80.9(3) 3_455 .
O22 Tb2 O23 51.4(6) . .
O17 Tb2 O23 147.6(4) 3_455 .
O7 Tb2 O23 80.4(2) . .
O20 Tb2 O23 135.9(4) . .
O15 Tb2 O8 79.0(3) 4 .
O16 Tb2 O8 144.5(3) 3_455 .
O22 Tb2 O8 122.2(4) . .
O17 Tb2 O8 67.1(2) 3_455 .
O7 Tb2 O8 52.5(2) . .
O20 Tb2 O8 69.2(3) . .
O23 Tb2 O8 131.77(19) . .
O15 Tb2 C7 75.0(3) 4 .
O16 Tb2 C7 168.1(4) 3_455 .
O22 Tb2 C7 104.3(5) . .
O17 Tb2 C7 92.4(3) 3_455 .
O7 Tb2 C7 25.9(3) . .
O20 Tb2 C7 84.6(3) . .
O23 Tb2 C7 105.5(3) . .
O8 Tb2 C7 26.7(3) . .
O15 Tb2 Tb1 103.9(2) 4 .
O16 Tb2 Tb1 110.4(2) 3_455 .
O22 Tb2 Tb1 120.6(5) . .
O17 Tb2 Tb1 45.0(2) 3_455 .
O7 Tb2 Tb1 88.5(2) . .
O20 Tb2 Tb1 38.6(2) . .
O23 Tb2 Tb1 166.9(3) . .
O8 Tb2 Tb1 39.85(17) . .
C7 Tb2 Tb1 64.7(3) . .
O10B Tb3 O10B 180.0 7_566 .
O13 Tb3 O13 180.0 6_566 4
O10B Tb3 O11 89.7(6) 7_566 .
O10B Tb3 O11 90.3(6) . .
O13 Tb3 O11 104.3(4) 6_566 .
O13 Tb3 O11 75.7(4) 4 .
O13 Tb3 O11 75.7(4) 6_566 7_566
O13 Tb3 O11 104.3(4) 4 7_566
O11 Tb3 O11 180.0 . 7_566
O13 Tb3 O10A 53.4(5) 6_566 7_566
O13 Tb3 O10A 126.6(5) 4 7_566
O11 Tb3 O10A 91.3(4) . 7_566
O11 Tb3 O10A 88.7(4) 7_566 7_566
O13 Tb3 O10A 126.6(5) 6_566 .
O13 Tb3 O10A 53.4(5) 4 .
O11 Tb3 O10A 88.7(4) . .
O11 Tb3 O10A 91.3(4) 7_566 .
O10A Tb3 O10A 180.0 7_566 .
O13 Tb3 O19A 60.6(5) 6_566 .
O13 Tb3 O19A 119.4(5) 4 .
O11 Tb3 O19A 93.9(4) . .
O11 Tb3 O19A 86.1(4) 7_566 .
O10A Tb3 O19A 113.0(5) 7_566 .
O10A Tb3 O19A 67.0(5) . .
O13 Tb3 O19A 119.4(5) 6_566 7_566
O13 Tb3 O19A 60.6(5) 4 7_566
O11 Tb3 O19A 86.1(4) . 7_566
O11 Tb3 O19A 93.9(4) 7_566 7_566
O10A Tb3 O19A 67.0(5) 7_566 7_566
O10A Tb3 O19A 112.9(5) . 7_566
O19A Tb3 O19A 180.0 . 7_566
N2 P1 N1 119.3(6) . .
N2 P1 O4 109.8(5) . .
N1 P1 O4 110.0(6) . .
N2 P1 O1 105.6(5) . .
N1 P1 O1 111.9(5) . .
O4 P1 O1 98.1(5) . .
N2 P2 N3 117.5(5) . .
N2 P2 O5 106.1(4) . .
N3 P2 O5 113.0(5) . .
N2 P2 O2 109.6(5) . .
N3 P2 O2 110.7(5) . .
O5 P2 O2 98.2(4) . .
N1 P3 N3 118.8(6) . .
N1 P3 O6 109.8(7) . .
N3 P3 O6 111.1(5) . .
N1 P3 O3 110.3(5) . .
N3 P3 O3 110.0(6) . .
O6 P3 O3 94.2(5) . .
C1 O1 P1 123.9(8) . .
C15 O2 P2 120.4(6) . .
C8 O3 P3 124.4(8) . .
C36 O4 P1 122.5(8) . .
C22 O5 P2 130.5(7) . .
C29 O6 P3 121.2(7) . .
C7 O7 Tb2 96.1(6) . .
C7 O8 Tb1 153.1(8) . .
C7 O8 Tb2 88.4(6) . .
Tb1 O8 Tb2 97.8(2) . .
C21 O11 Tb3 118.2(10) . .
C21 O12 Tb1 160.5(14) . 7_566
C42 O13 Tb3 155.3(12) . 4_545
C42 O14 Tb1 125.2(10) . 4_545
C35 O15 Tb2 140.3(9) . 4_545
C35 O16 Tb2 130.7(9) . 3_545
C28 O17 Tb2 144.2(9) . 3_545
C28 O17 Tb1 87.3(8) . 3_545
Tb2 O17 Tb1 96.4(3) 3_545 3_545
C28 O18 Tb1 97.0(8) . 3_545
Tb1 O20 Tb2 102.8(4) . .
Tb2 O23 Tb2 117.3(6) . 2
P3 N1 P1 120.4(6) . .
P1 N2 P2 121.3(7) . .
P2 N3 P3 120.7(7) . .
C2 C1 C6 123.1(9) . .
C2 C1 O1 123.7(9) . .
C6 C1 O1 113.1(9) . .
C1 C2 C3 118.1(9) . .
C4 C3 C2 120.2(9) . .
C5 C4 C3 119.5(8) . .
C5 C4 C7 121.2(9) . .
C3 C4 C7 119.3(9) . .
C4 C5 C6 122.2(9) . .
C5 C6 C1 116.9(9) . .
O7 C7 O8 122.6(9) . .
O7 C7 C4 119.4(10) . .
O8 C7 C4 117.8(11) . .
O7 C7 Tb2 58.0(5) . .
O8 C7 Tb2 64.9(5) . .
C4 C7 Tb2 168.9(8) . .
C9B C8 O3 119.0(11) . .
O3 C8 C9A 124.7(11) . .
O3 C8 C13A 118.9(11) . .
C9A C8 C13A 116.3(13) . .
C9B C8 C13B 120.2(13) . .
O3 C8 C13B 120.8(12) . .
C10A C11 C12A 119.5(13) . .
C12B C11 C10B 116.5(13) . .
C12B C11 C14B 133.5(13) . .
C10B C11 C14B 109.9(13) . .
C10A C11 C14A 127.6(14) . .
C12A C11 C14A 107.5(13) . .
C16 C15 C20 121.3(9) . .
C16 C15 O2 121.6(9) . .
C20 C15 O2 117.1(8) . .
C15 C16 C17 119.1(9) . .
C18 C17 C16 119.4(9) . .
C19 C18 C17 120.1(8) . .
C19 C18 C21 123.2(10) . .
C17 C18 C21 116.6(10) . .
C18 C19 C20 121.4(9) . .
C15 C20 C19 118.5(9) . .
O11 C21 O12 114.8(13) . .
O11 C21 C18 124.9(14) . .
O12 C21 C18 120.3(13) . .
C27 C22 C23 120.6(8) . .
C27 C22 O5 117.3(8) . .
C23 C22 O5 121.9(8) . .
C22 C23 C24 118.3(8) . .
C25 C24 C23 121.4(9) . .
C24 C25 C26 119.0(8) . .
C24 C25 C28 120.5(10) . .
C26 C25 C28 120.5(9) . .
C27 C26 C25 120.4(8) . .
C26 C27 C22 120.2(8) . .
O18 C28 O17 123.6(12) . .
O18 C28 C25 119.2(11) . .
O17 C28 C25 117.1(13) . .
O18 C28 Tb1 57.5(6) . 3_545
O17 C28 Tb1 66.2(7) . 3_545
C25 C28 Tb1 172.0(9) . 3_545
C34 C29 C30 124.2(10) . .
C34 C29 O6 118.8(12) . .
C30 C29 O6 116.9(12) . .
C29 C30 C31 116.8(11) . .
C32 C31 C30 121.4(10) . .
C33 C32 C31 119.9(9) . .
C33 C32 C35 123.3(11) . .
C31 C32 C35 116.8(11) . .
C32 C33 C34 120.1(10) . .
C29 C34 C33 117.4(10) . .
O16 C35 O15 125.4(11) . .
O16 C35 C32 121.0(14) . .
O15 C35 C32 113.5(12) . .
C37 C36 C41 120.4(9) . .
C37 C36 O4 122.9(10) . .
C41 C36 O4 116.6(9) . .
C36 C37 C38 120.3(9) . .
C37 C38 C39 121.5(9) . .
C38 C39 C40 117.0(9) . .
C38 C39 C42 118.5(10) . .
C40 C39 C42 124.6(10) . .
C41 C40 C39 121.4(10) . .
C36 C41 C40 119.3(10) . .
O14 C42 O13 122.0(15) . .
O14 C42 C39 123.2(12) . .
O13 C42 C39 114.0(14) . .
C14A O9A Tb1 99.8(13) . .
C14A O10A Tb1 93.1(10) . .
C14A O10A Tb3 141.3(17) . .
Tb1 O10A Tb3 114.7(6) . .
C8 C9A C10A 122.7(14) . .
C11 C10A C9A 119.0(14) . .
C11 C12A C13A 119.3(14) . .
C12A C13A C8 121.4(15) . .
O9A C14A O10A 114.5(16) . .
O9A C14A C11 129.9(17) . .
O10A C14A C11 115.5(15) . .
C14B O9B Tb1 135.4(17) . .
C14B O10B Tb3 147.8(19) . .
C8 C9B C10B 119.3(14) . .
C9B C10B C11 122.2(14) . .
C11 C12B C13B 121.5(15) . .
C12B C13B C8 119.8(15) . .
O10B C14B O9B 121.6(18) . .
O10B C14B C11 127.3(17) . .
O9B C14B C11 111.1(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O14 2.304(9) 4
Tb1 O9B 2.306(16) .
Tb1 O12 2.325(12) 7_566
Tb1 O19B 2.325(12) .
Tb1 O20 2.388(9) .
Tb1 O8 2.415(8) .
Tb1 O9A 2.434(16) .
Tb1 O18 2.464(8) 3_455
Tb1 O10A 2.563(12) .
Tb1 O17 2.656(9) 3_455
Tb1 C28 2.899(12) 3_455
Tb1 Tb2 3.7338(10) .
Tb2 O15 2.249(9) 4
Tb2 O16 2.276(7) 3_455
Tb2 O22 2.341(16) .
Tb2 O17 2.344(9) 3_455
Tb2 O7 2.388(7) .
Tb2 O20 2.391(10) .
Tb2 O23 2.445(8) .
Tb2 O8 2.537(7) .
Tb2 C7 2.800(10) .
Tb3 O10B 2.033(16) 7_566
Tb3 O10B 2.033(16) .
Tb3 O13 2.272(14) 6_566
Tb3 O13 2.272(13) 4
Tb3 O11 2.347(8) .
Tb3 O11 2.347(8) 7_566
Tb3 O10A 2.653(16) 7_566
Tb3 O10A 2.653(16) .
Tb3 O19A 2.71(2) .
Tb3 O19A 2.71(2) 7_566
P1 N2 1.559(8) .
P1 N1 1.576(11) .
P1 O4 1.587(9) .
P1 O1 1.611(8) .
P2 N2 1.577(9) .
P2 N3 1.578(9) .
P2 O5 1.580(6) .
P2 O2 1.611(8) .
P3 N1 1.550(12) .
P3 N3 1.598(9) .
P3 O6 1.600(9) .
P3 O3 1.617(10) .
O1 C1 1.419(11) .
O2 C15 1.393(11) .
O3 C8 1.366(12) .
O4 C36 1.396(12) .
O5 C22 1.380(11) .
O6 C29 1.437(12) .
O7 C7 1.231(13) .
O8 C7 1.258(12) .
O11 C21 1.179(16) .
O12 C21 1.213(17) .
O13 C42 1.268(15) .
O14 C42 1.160(16) .
O15 C35 1.327(16) .
O16 C35 1.178(15) .
O17 C28 1.295(14) .
O18 C28 1.257(15) .
C1 C2 1.360(11) .
C1 C6 1.384(10) .
C2 C3 1.394(10) .
C3 C4 1.382(10) .
C4 C5 1.359(10) .
C4 C7 1.497(13) .
C5 C6 1.378(10) .
C8 C9B 1.335(14) .
C8 C9A 1.366(14) .
C8 C13A 1.376(14) .
C8 C13B 1.377(14) .
C11 C10A 1.341(13) .
C11 C12B 1.346(15) .
C11 C12A 1.368(14) .
C11 C10B 1.405(14) .
C11 C14B 1.469(16) .
C11 C14A 1.538(16) .
C15 C16 1.365(10) .
C15 C20 1.371(10) .
C16 C17 1.404(10) .
C17 C18 1.368(10) .
C18 C19 1.355(10) .
C18 C21 1.464(14) .
C19 C20 1.380(10) .
C22 C27 1.376(10) .
C22 C23 1.379(10) .
C23 C24 1.381(10) .
C24 C25 1.376(10) .
C25 C26 1.378(10) .
C25 C28 1.497(16) .
C26 C27 1.361(10) .
C29 C34 1.366(12) .
C29 C30 1.367(12) .
C30 C31 1.379(11) .
C31 C32 1.375(11) .
C32 C33 1.374(11) .
C32 C35 1.483(14) .
C33 C34 1.394(11) .
C36 C37 1.346(10) .
C36 C41 1.354(11) .
C37 C38 1.361(11) .
C38 C39 1.362(10) .
C39 C40 1.390(11) .
C39 C42 1.459(17) .
C40 C41 1.367(11) .
O9A C14A 1.283(17) .
O10A C14A 1.306(17) .
C9A C10A 1.372(15) .
C12A C13A 1.370(15) .
O9B C14B 1.276(17) .
O10B C14B 1.249(16) .
C9B C10B 1.362(15) .
C12B C13B 1.370(15) .
