#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/52/7115252.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_7115252
loop_
_publ_author_name
'Magennis, Steven W.'
'Parsons, Simon'
'Pikramenou, Zoe'
'Corval, Anne'
'Derek Woollins, J.'
_publ_section_title
;
 Imidodiphosphinate ligands as antenna units in luminescent lanthanide
 complexes
;
_journal_issue                   1
_journal_name_full               'Chemical Communications'
_journal_page_first              61
_journal_paper_doi               10.1039/a808046a
_journal_year                    1999
_chemical_formula_moiety         '[Tb(Ph2PONPOPh2)3].0.75H2O'
_chemical_formula_sum            'C72 H61.5 N3 O6.75 P6 Tb'
_chemical_formula_weight         1421.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   'geometric; disordered H not placed'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   23.372(4)
_cell_length_b                   23.372(4)
_cell_length_c                   42.956(8)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      11
_cell_volume                     20321(6)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_molecular_graphics    SHELXTL
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_method       'Omega-theta with learnt-profile'
_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  0.1601
_diffrn_reflns_av_sigmaI/netI    0.0771
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9599
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.58
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.240
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.592
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'xshape vs psi-scans'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'tablet developed in (001)'
_exptl_crystal_F_000             8682
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.605
_refine_diff_density_min         -1.529
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         7979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0859P)²+146.1677P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.1744
_reflns_number_gt                5674
_reflns_number_total             7979
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            808046a.txt
_cod_data_source_block           smtbp2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical'
changed to 'numerical' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        20320(6)
_cod_original_sg_symbol_H-M      R-3
_cod_original_formula_sum        'C72 H61.50 N3 O6.75 P6 Tb'
_cod_database_code               7115252
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 1.0000 0.0000 0.611166(14) 0.02450(17) Uani 1 3 d S
O1 O 1.0728(2) 0.0815(2) 0.64257(11) 0.0318(11) Uani 1 1 d .
P1 P 1.08765(9) 0.15216(9) 0.64795(4) 0.0281(4) Uani 1 1 d .
O2 O 1.0125(2) 0.0860(2) 0.58269(11) 0.0328(12) Uani 1 1 d .
P2 P 1.04175(10) 0.15998(9) 0.58738(4) 0.0305(4) Uani 1 1 d .
N1 N 1.0735(3) 0.1883(3) 0.62064(14) 0.0347(15) Uani 1 1 d .
C11 C 1.1731(4) 0.1999(4) 0.65919(17) 0.0330(17) Uani 1 1 d .
C21 C 1.2048(4) 0.1680(5) 0.6711(2) 0.049(2) Uani 1 1 d .
H21 H 1.1819 0.1216 0.6727 0.059 Uiso 1 1 calc R
C31 C 1.2692(5) 0.2037(6) 0.6805(2) 0.069(3) Uani 1 1 d .
H31 H 1.2901 0.1819 0.6892 0.083 Uiso 1 1 calc R
C41 C 1.3039(5) 0.2718(7) 0.6774(3) 0.083(4) Uani 1 1 d .
H41 H 1.3485 0.2961 0.6835 0.099 Uiso 1 1 calc R
C51 C 1.2730(5) 0.3034(6) 0.6654(3) 0.075(3) Uani 1 1 d .
H51 H 1.2965 0.3497 0.6636 0.090 Uiso 1 1 calc R
C61 C 1.2078(4) 0.2687(4) 0.6557(2) 0.050(2) Uani 1 1 d .
H61 H 1.1873 0.2908 0.6470 0.060 Uiso 1 1 calc R
C12 C 1.0405(3) 0.1520(3) 0.68106(16) 0.0287(16) Uani 1 1 d .
C22 C 1.0332(4) 0.1123(4) 0.70638(19) 0.045(2) Uani 1 1 d .
H22 H 1.0522 0.0851 0.7061 0.054 Uiso 1 1 calc R
C32 C 0.9977(5) 0.1126(5) 0.7322(2) 0.060(3) Uani 1 1 d .
H32 H 0.9930 0.0857 0.7494 0.072 Uiso 1 1 calc R
C42 C 0.9696(4) 0.1517(5) 0.7330(2) 0.055(3) Uani 1 1 d .
H42 H 0.9462 0.1523 0.7507 0.066 Uiso 1 1 calc R
C52 C 0.9759(5) 0.1894(5) 0.7080(2) 0.056(2) Uani 1 1 d .
H52 H 0.9556 0.2155 0.7083 0.067 Uiso 1 1 calc R
C62 C 1.0113(4) 0.1907(4) 0.6823(2) 0.046(2) Uani 1 1 d .
H62 H 1.0156 0.2180 0.6653 0.055 Uiso 1 1 calc R
C13 C 1.1042(4) 0.2030(4) 0.55829(18) 0.0369(18) Uani 1 1 d .
C23 C 1.1699(5) 0.2409(5) 0.5674(2) 0.053(2) Uani 1 1 d .
H23 H 1.1805 0.2470 0.5887 0.064 Uiso 1 1 calc R
C33 C 1.2201(5) 0.2698(5) 0.5453(3) 0.067(3) Uani 1 1 d .
H33 H 1.2646 0.2937 0.5515 0.081 Uiso 1 1 calc R
C43 C 1.2037(6) 0.2627(5) 0.5147(3) 0.066(3) Uani 1 1 d .
H43 H 1.2375 0.2834 0.4999 0.080 Uiso 1 1 calc R
C53 C 1.1411(6) 0.2272(5) 0.5050(2) 0.059(3) Uani 1 1 d .
H53 H 1.1316 0.2228 0.4836 0.071 Uiso 1 1 calc R
C63 C 1.0894(5) 0.1963(4) 0.5268(2) 0.048(2) Uani 1 1 d .
H63 H 1.0454 0.1713 0.5200 0.058 Uiso 1 1 calc R
C14 C 0.9759(4) 0.1775(4) 0.58102(17) 0.0354(18) Uani 1 1 d .
C24 C 0.9859(5) 0.2369(4) 0.56925(19) 0.045(2) Uani 1 1 d .
H24 H 1.0286 0.2699 0.5633 0.054 Uiso 1 1 calc R
C34 C 0.9328(6) 0.2476(6) 0.5662(2) 0.067(3) Uani 1 1 d .
H34 H 0.9392 0.2878 0.5582 0.080 Uiso 1 1 calc R
C44 C 0.8730(6) 0.2004(7) 0.5746(3) 0.080(4) Uani 1 1 d .
H44 H 0.8379 0.2088 0.5722 0.096 Uiso 1 1 calc R
C54 C 0.8589(6) 0.1401(7) 0.5864(3) 0.083(4) Uani 1 1 d .
H54 H 0.8159 0.1082 0.5924 0.100 Uiso 1 1 calc R
C64 C 0.9121(5) 0.1293(5) 0.5891(2) 0.062(3) Uani 1 1 d .
H64 H 0.9047 0.0883 0.5965 0.075 Uiso 1 1 calc R
Tb2 Tb 0.3333 -0.3333 0.540413(14) 0.02473(17) Uani 1 3 d S
O3 O 0.4108(2) -0.2603(2) 0.57384(11) 0.0299(11) Uani 1 1 d .
O4 O 0.4126(2) -0.2634(2) 0.50594(11) 0.0311(11) Uani 1 1 d .
P3 P 0.48341(9) -0.20768(9) 0.57281(4) 0.0281(4) Uani 1 1 d .
P4 P 0.48490(9) -0.21205(9) 0.50784(5) 0.0296(4) Uani 1 1 d .
N2 N 0.5111(3) -0.1737(3) 0.53971(14) 0.0322(14) Uani 1 1 d .
C15 C 0.5005(4) -0.1414(4) 0.59955(19) 0.0369(18) Uani 1 1 d .
C25 C 0.4785(5) -0.1569(5) 0.6301(2) 0.053(2) Uani 1 1 d .
H25 H 0.4547 -0.2010 0.6368 0.064 Uiso 1 1 calc R
C35 C 0.4927(5) -0.1046(6) 0.6507(2) 0.067(3) Uani 1 1 d .
H35 H 0.4774 -0.1145 0.6713 0.081 Uiso 1 1 calc R
C45 C 0.5276(5) -0.0407(5) 0.6418(3) 0.062(3) Uani 1 1 d .
H45 H 0.5368 -0.0068 0.6562 0.075 Uiso 1 1 calc R
C55 C 0.5494(5) -0.0258(5) 0.6121(3) 0.063(3) Uani 1 1 d .
H55 H 0.5738 0.0186 0.6057 0.076 Uiso 1 1 calc R
C65 C 0.5357(4) -0.0762(4) 0.5908(2) 0.047(2) Uani 1 1 d .
H65 H 0.5509 -0.0654 0.5702 0.057 Uiso 1 1 calc R
C16 C 0.5296(4) -0.2449(4) 0.58729(17) 0.0305(16) Uani 1 1 d .
C26 C 0.5969(4) -0.2063(4) 0.5932(2) 0.043(2) Uani 1 1 d .
H26 H 0.6178 -0.1602 0.5911 0.051 Uiso 1 1 calc R
C36 C 0.6331(4) -0.2357(4) 0.6020(2) 0.045(2) Uani 1 1 d .
H36 H 0.6785 -0.2095 0.6061 0.054 Uiso 1 1 calc R
C46 C 0.6031(4) -0.3022(5) 0.6049(2) 0.056(2) Uani 1 1 d .
H46 H 0.6282 -0.3219 0.6105 0.067 Uiso 1 1 calc R
C56 C 0.5365(5) -0.3413(5) 0.5997(2) 0.058(3) Uani 1 1 d .
H56 H 0.5162 -0.3874 0.6022 0.070 Uiso 1 1 calc R
C66 C 0.4987(4) -0.3127(4) 0.5908(2) 0.047(2) Uani 1 1 d .
H66 H 0.4530 -0.3391 0.5872 0.057 Uiso 1 1 calc R
C17 C 0.5036(3) -0.1496(4) 0.47859(18) 0.0307(16) Uani 1 1 d .
C27 C 0.4901(4) -0.1669(4) 0.4476(2) 0.046(2) Uani 1 1 d .
H27 H 0.4717 -0.2113 0.4417 0.056 Uiso 1 1 calc R
C37 C 0.5036(5) -0.1191(5) 0.4254(2) 0.059(3) Uani 1 1 d .
H37 H 0.4939 -0.1315 0.4044 0.071 Uiso 1 1 calc R
C47 C 0.5302(4) -0.0553(5) 0.4333(2) 0.054(3) Uani 1 1 d .
H47 H 0.5391 -0.0235 0.4178 0.065 Uiso 1 1 calc R
C57 C 0.5444(5) -0.0360(5) 0.4638(2) 0.058(3) Uani 1 1 d .
H57 H 0.5628 0.0086 0.4695 0.069 Uiso 1 1 calc R
C67 C 0.5309(4) -0.0842(4) 0.4863(2) 0.047(2) Uani 1 1 d .
H67 H 0.5409 -0.0715 0.5073 0.056 Uiso 1 1 calc R
C18 C 0.5288(4) -0.2541(4) 0.49707(17) 0.0326(17) Uani 1 1 d .
C28 C 0.4958(4) -0.3180(4) 0.4863(2) 0.042(2) Uani 1 1 d .
H28 H 0.4496 -0.3401 0.4841 0.051 Uiso 1 1 calc R
C38 C 0.5306(5) -0.3502(5) 0.4788(2) 0.056(2) Uani 1 1 d .
H38 H 0.5076 -0.3940 0.4716 0.067 Uiso 1 1 calc R
C48 C 0.5973(4) -0.3188(5) 0.4816(3) 0.062(3) Uani 1 1 d .
H48 H 0.6205 -0.3403 0.4757 0.074 Uiso 1 1 calc R
C58 C 0.6315(5) -0.2544(5) 0.4933(3) 0.071(3) Uani 1 1 d .
H58 H 0.6775 -0.2332 0.4962 0.085 Uiso 1 1 calc R
C68 C 0.5975(4) -0.2218(4) 0.5008(3) 0.057(3) Uani 1 1 d .
H68 H 0.6204 -0.1781 0.5082 0.068 Uiso 1 1 calc R
O1W O 0.6667 0.3333 0.1175(3) 0.117(6) Uani 1 3 d S
O2W O 0.0000 0.0000 0.0188(5) 0.062(6) Uani 0.50 3 d SP
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'
P P 0.1023 0.0942 '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
O2 Tb1 O2 93.12(17) 2_645 3_765
O2 Tb1 O2 93.12(17) 2_645 .
O2 Tb1 O2 93.12(17) 3_765 .
O2 Tb1 O1 168.51(17) 2_645 .
O2 Tb1 O1 97.60(18) 3_765 .
O2 Tb1 O1 82.21(18) . .
O2 Tb1 O1 82.21(18) 2_645 2_645
O2 Tb1 O1 168.51(17) 3_765 2_645
O2 Tb1 O1 97.60(18) . 2_645
O1 Tb1 O1 87.99(18) . 2_645
O2 Tb1 O1 97.60(18) 2_645 3_765
O2 Tb1 O1 82.21(17) 3_765 3_765
O2 Tb1 O1 168.51(18) . 3_765
O1 Tb1 O1 87.99(18) . 3_765
O1 Tb1 O1 87.99(18) 2_645 3_765
P1 O1 Tb1 132.1(3) . .
O1 P1 N1 118.3(3) . .
O1 P1 C12 108.1(3) . .
N1 P1 C12 107.3(3) . .
O1 P1 C11 107.1(3) . .
N1 P1 C11 109.4(4) . .
C12 P1 C11 106.1(3) . .
P2 O2 Tb1 136.8(3) . .
O2 P2 N1 116.3(3) . .
O2 P2 C13 108.7(3) . .
N1 P2 C13 108.1(4) . .
O2 P2 C14 106.8(3) . .
N1 P2 C14 108.3(3) . .
C13 P2 C14 108.3(4) . .
P1 N1 P2 128.6(4) . .
C21 C11 C61 120.0(8) . .
C21 C11 P1 119.4(6) . .
C61 C11 P1 120.6(6) . .
C31 C21 C11 120.1(9) . .
C21 C31 C41 120.3(11) . .
C51 C41 C31 119.6(10) . .
C41 C51 C61 121.4(11) . .
C51 C61 C11 118.4(10) . .
C62 C12 C22 118.3(7) . .
C62 C12 P1 122.1(6) . .
C22 C12 P1 119.5(6) . .
C12 C22 C32 119.9(8) . .
C42 C32 C22 120.9(9) . .
C52 C42 C32 118.9(9) . .
C42 C52 C62 121.5(9) . .
C52 C62 C12 120.4(8) . .
C63 C13 C23 118.7(8) . .
C63 C13 P2 121.9(7) . .
C23 C13 P2 119.3(6) . .
C13 C23 C33 120.8(9) . .
C43 C33 C23 118.8(10) . .
C53 C43 C33 122.3(10) . .
C43 C53 C63 120.2(9) . .
C13 C63 C53 119.2(9) . .
C24 C14 C64 118.7(8) . .
C24 C14 P2 123.2(7) . .
C64 C14 P2 118.1(7) . .
C14 C24 C34 119.8(9) . .
C44 C34 C24 119.3(10) . .
C34 C44 C54 124.5(10) . .
C44 C54 C64 116.0(11) . .
C14 C64 C54 121.7(10) . .
O3 Tb2 O3 84.31(18) 2_545 .
O3 Tb2 O3 84.31(18) 2_545 3_655
O3 Tb2 O3 84.31(18) . 3_655
O3 Tb2 O4 79.44(17) 2_545 2_545
O3 Tb2 O4 132.35(17) . 2_545
O3 Tb2 O4 137.13(17) 3_655 2_545
O3 Tb2 O4 137.13(17) 2_545 .
O3 Tb2 O4 79.44(17) . .
O3 Tb2 O4 132.35(17) 3_655 .
O4 Tb2 O4 82.85(18) 2_545 .
O3 Tb2 O4 132.35(17) 2_545 3_655
O3 Tb2 O4 137.13(17) . 3_655
O3 Tb2 O4 79.44(17) 3_655 3_655
O4 Tb2 O4 82.85(18) 2_545 3_655
O4 Tb2 O4 82.85(18) . 3_655
P3 O3 Tb2 137.5(3) . .
P4 O4 Tb2 135.7(3) . .
O3 P3 N2 116.0(3) . .
O3 P3 C16 107.2(3) . .
N2 P3 C16 110.8(3) . .
O3 P3 C15 110.7(3) . .
N2 P3 C15 106.2(4) . .
C16 P3 C15 105.4(4) . .
O4 P4 N2 117.4(3) . .
O4 P4 C18 105.6(3) . .
N2 P4 C18 111.5(4) . .
O4 P4 C17 109.2(3) . .
N2 P4 C17 106.0(3) . .
C18 P4 C17 106.8(3) . .
P4 N2 P3 122.8(4) . .
C65 C15 C25 119.1(8) . .
C65 C15 P3 122.1(6) . .
C25 C15 P3 118.8(7) . .
C15 C25 C35 118.1(9) . .
C45 C35 C25 122.2(10) . .
C35 C45 C55 119.5(9) . .
C45 C55 C65 120.0(9) . .
C15 C65 C55 121.1(9) . .
C66 C16 C26 119.9(7) . .
C66 C16 P3 119.6(6) . .
C26 C16 P3 120.4(6) . .
C36 C26 C16 120.2(8) . .
C46 C36 C26 120.1(8) . .
C36 C46 C56 120.9(9) . .
C46 C56 C66 120.1(9) . .
C16 C66 C56 118.9(8) . .
C67 C17 C27 118.1(7) . .
C67 C17 P4 121.4(6) . .
C27 C17 P4 120.4(6) . .
C17 C27 C37 120.2(8) . .
C47 C37 C27 121.1(9) . .
C37 C47 C57 120.5(9) . .
C47 C57 C67 118.5(9) . .
C17 C67 C57 121.5(9) . .
C28 C18 C68 119.7(7) . .
C28 C18 P4 121.0(6) . .
C68 C18 P4 119.3(6) . .
C18 C28 C38 120.1(8) . .
C48 C38 C28 120.7(9) . .
C38 C48 C58 119.8(9) . .
C68 C58 C48 120.0(9) . .
C58 C68 C18 119.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O2 2.244(5) 2_645
Tb1 O2 2.244(5) 3_765
Tb1 O2 2.244(5) .
Tb1 O1 2.259(5) .
Tb1 O1 2.259(5) 2_645
Tb1 O1 2.259(5) 3_765
O1 P1 1.526(5) .
P1 N1 1.575(6) .
P1 C12 1.798(7) .
P1 C11 1.800(7) .
O2 P2 1.521(5) .
P2 N1 1.593(6) .
P2 C13 1.799(8) .
P2 C14 1.800(8) .
C11 C21 1.386(11) .
C11 C61 1.400(11) .
C21 C31 1.369(12) .
C31 C41 1.385(16) .
C41 C51 1.368(17) .
C51 C61 1.384(13) .
C12 C62 1.380(11) .
C12 C22 1.384(11) .
C22 C32 1.388(12) .
C32 C42 1.366(14) .
C42 C52 1.351(13) .
C52 C62 1.373(12) .
C13 C63 1.388(11) .
C13 C23 1.389(12) .
C23 C33 1.394(13) .
C33 C43 1.354(14) .
C43 C53 1.338(14) .
C53 C63 1.407(12) .
C14 C24 1.383(11) .
C14 C64 1.389(12) .
C24 C34 1.390(12) .
C34 C44 1.326(16) .
C44 C54 1.373(16) .
C54 C64 1.394(13) .
Tb2 O3 2.272(5) 2_545
Tb2 O3 2.272(5) .
Tb2 O3 2.272(5) 3_655
Tb2 O4 2.295(5) 2_545
Tb2 O4 2.295(5) .
Tb2 O4 2.295(5) 3_655
O3 P3 1.519(5) .
O4 P4 1.508(5) .
P3 N2 1.599(6) .
P3 C16 1.802(7) .
P3 C15 1.806(8) .
P4 N2 1.582(6) .
P4 C18 1.801(7) .
P4 C17 1.806(7) .
C15 C65 1.372(11) .
C15 C25 1.389(12) .
C25 C35 1.408(12) .
C35 C45 1.349(14) .
C45 C55 1.356(14) .
C55 C65 1.396(12) .
C16 C66 1.381(11) .
C16 C26 1.390(10) .
C26 C36 1.383(11) .
C36 C46 1.354(12) .
C46 C56 1.372(12) .
C56 C66 1.405(12) .
C17 C67 1.370(11) .
C17 C27 1.379(11) .
C27 C37 1.382(12) .
C37 C47 1.340(13) .
C47 C57 1.374(13) .
C57 C67 1.396(12) .
C18 C28 1.373(11) .
C18 C68 1.399(11) .
C28 C38 1.395(11) .
C38 C48 1.357(12) .
C48 C58 1.398(14) .
C58 C68 1.385(12) .
O2W O2W 1.61(4) 10
