#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/69/7036944.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_7036944
loop_
_publ_author_name
'Gao, Feng'
'Yang, Feng-Lei'
'Zhu, Guang-Zhou'
'Zhao, Yue'
_publ_section_title
;
 Syntheses, structures, and magnetic properties of homodinuclear
 lanthanide complexes based on dinucleating Schiff base ligands.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20232
_journal_page_last               20241
_journal_paper_doi               10.1039/c5dt03580e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C68 H92 Co2 N4 O22 P6 Tb2'
_chemical_formula_weight         1938.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-26 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.0690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.5901(13)
_cell_length_b                   15.1586(12)
_cell_length_c                   17.8997(14)
_cell_measurement_reflns_used    7520
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.35
_cell_volume                     4366.4(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31840
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.149
_exptl_absorpt_correction_T_max  0.6493
_exptl_absorpt_correction_T_min  0.5845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1956
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_platon_squeeze_details
;
;
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7650
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0444P)²+4.6209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0901
_reflns_number_gt                6294
_reflns_number_total             7650
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03580e2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036943--7036951.cif.
;
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               7036944
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4809(8) 0.7186(8) 0.1567(6) 0.030(3) Uani 0.579(15) 1 d PU A 1
H1A H 0.4944 0.7504 0.2058 0.036 Uiso 0.579(15) 1 calc PR A 1
C2 C 0.4209(6) 0.7447(7) 0.0900(8) 0.030(3) Uani 0.579(15) 1 d PU A 1
H2A H 0.3859 0.7976 0.0842 0.036 Uiso 0.579(15) 1 calc PR A 1
C3 C 0.4238(6) 0.6802(7) 0.0309(6) 0.025(2) Uani 0.579(15) 1 d PU A 1
H3A H 0.3888 0.6807 -0.0218 0.031 Uiso 0.579(15) 1 calc PR A 1
C4 C 0.4851(6) 0.6147(7) 0.0624(6) 0.028(3) Uani 0.579(15) 1 d PU A 1
H4A H 0.4992 0.5629 0.0354 0.033 Uiso 0.579(15) 1 calc PR A 1
C5 C 0.5189(8) 0.6368(9) 0.1410(8) 0.031(3) Uani 0.579(15) 1 d PU A 1
H5A H 0.5624 0.6042 0.1773 0.037 Uiso 0.579(15) 1 calc PR A 1
C6 C 0.1504(4) 0.6525(5) -0.0248(3) 0.070(2) Uani 1 1 d . . .
H6A H 0.1100 0.6609 0.0056 0.084 Uiso 1 1 calc R . .
H6B H 0.1545 0.5895 -0.0327 0.084 Uiso 1 1 calc R . .
C7 C 0.1184(5) 0.6908(6) -0.0965(5) 0.112(4) Uani 1 1 d . . .
H7A H 0.0977 0.7486 -0.0897 0.168 Uiso 1 1 calc R . .
H7B H 0.0740 0.6550 -0.1255 0.168 Uiso 1 1 calc R . .
H7C H 0.1615 0.6952 -0.1237 0.168 Uiso 1 1 calc R . .
C8 C 0.1845(4) 0.7920(4) 0.1514(5) 0.070(2) Uani 1 1 d . . .
H8A H 0.1595 0.7545 0.1835 0.083 Uiso 1 1 calc R . .
H8B H 0.1472 0.7942 0.1004 0.083 Uiso 1 1 calc R . .
C9 C 0.1956(5) 0.8797(5) 0.1836(5) 0.085(3) Uani 1 1 d . . .
H9A H 0.2449 0.8813 0.2249 0.128 Uiso 1 1 calc R . .
H9B H 0.1484 0.8952 0.2029 0.128 Uiso 1 1 calc R . .
H9C H 0.2011 0.9209 0.1444 0.128 Uiso 1 1 calc R . .
C10 C 0.2883(3) 0.4328(4) -0.0570(3) 0.0410(13) Uani 1 1 d . . .
H10A H 0.2422 0.4129 -0.0369 0.049 Uiso 1 1 d R A .
H10B H 0.3250 0.3830 -0.0574 0.049 Uiso 1 1 d R . .
C11 C 0.2583(5) 0.4671(5) -0.1356(4) 0.068(2) Uani 1 1 d . . .
H11A H 0.2145 0.5088 -0.1364 0.102 Uiso 1 1 d R . .
H11B H 0.2373 0.4190 -0.1697 0.102 Uiso 1 1 d R . .
H11C H 0.3027 0.4955 -0.1520 0.102 Uiso 1 1 d R . .
C12 C 0.4490(4) 0.3520(5) 0.1427(3) 0.0589(18) Uani 1 1 d . A .
H12A H 0.4164 0.3566 0.1807 0.071 Uiso 1 1 calc R . .
H12B H 0.5070 0.3463 0.1696 0.071 Uiso 1 1 calc R . .
C13 C 0.4227(4) 0.2730(4) 0.0940(4) 0.0510(15) Uani 1 1 d . . .
H13A H 0.3641 0.2761 0.0712 0.076 Uiso 1 1 calc R . .
H13B H 0.4346 0.2209 0.1253 0.076 Uiso 1 1 calc R . .
H13C H 0.4523 0.2708 0.0542 0.076 Uiso 1 1 calc R . .
C14 C 0.5088(5) 0.4700(6) 0.3278(4) 0.083 Uani 1 1 d D A .
H14A H 0.5543 0.4380 0.3149 0.099 Uiso 1 1 calc R . .
H14B H 0.4613 0.4308 0.3197 0.099 Uiso 1 1 calc R . .
C15 C 0.5326(6) 0.4959(6) 0.4076(4) 0.092(3) Uani 1 1 d D . .
H15A H 0.5740 0.5414 0.4143 0.138 Uiso 1 1 calc R . .
H15B H 0.5549 0.4459 0.4388 0.138 Uiso 1 1 calc R . .
H15C H 0.4848 0.5177 0.4231 0.138 Uiso 1 1 calc R . .
C16 C 0.3373(6) 0.6875(6) 0.3351(4) 0.098 Uani 1 1 d D A .
H16A H 0.2838 0.6829 0.2983 0.118 Uiso 1 1 calc R . .
H16B H 0.3462 0.7496 0.3473 0.118 Uiso 1 1 calc R . .
C17 C 0.3290(6) 0.6454(6) 0.4030(5) 0.101 Uani 1 1 d DU . .
H17A H 0.3187 0.5836 0.3931 0.152 Uiso 1 1 calc R . .
H17B H 0.2833 0.6710 0.4195 0.152 Uiso 1 1 calc R . .
H17C H 0.3792 0.6529 0.4426 0.152 Uiso 1 1 calc R . .
C18 C 0.0108(3) 0.5334(3) 0.2045(2) 0.0229(9) Uani 1 1 d . . .
H18 H -0.0431 0.5500 0.1799 0.028 Uiso 1 1 calc R . .
C19 C 0.0343(3) 0.5413(3) 0.2872(3) 0.0256(10) Uani 1 1 d . . .
C20 C -0.0268(3) 0.5720(4) 0.3232(3) 0.0393(13) Uani 1 1 d . . .
H20 H -0.0790 0.5871 0.2932 0.047 Uiso 1 1 calc R . .
C21 C -0.0109(4) 0.5801(4) 0.4019(3) 0.0472(15) Uani 1 1 d . . .
H21 H -0.0516 0.6009 0.4252 0.057 Uiso 1 1 calc R . .
C22 C 0.0680(4) 0.5563(4) 0.4467(3) 0.0442(14) Uani 1 1 d . . .
H22 H 0.0794 0.5609 0.5000 0.053 Uiso 1 1 calc R . .
C23 C 0.1275(3) 0.5268(3) 0.4130(3) 0.0346(12) Uani 1 1 d . . .
H23 H 0.1792 0.5116 0.4440 0.042 Uiso 1 1 calc R . .
C24 C 0.1140(3) 0.5182(3) 0.3329(3) 0.0262(10) Uani 1 1 d . A .
C25 C 0.1294(3) 0.3046(3) 0.0610(3) 0.0233(10) Uani 1 1 d . . .
H25 H 0.0964 0.2877 0.0133 0.028 Uiso 1 1 calc R . .
C26 C 0.1891(3) 0.2414(3) 0.1011(2) 0.0224(9) Uani 1 1 d . . .
C27 C 0.2004(3) 0.1639(3) 0.0609(3) 0.0284(10) Uani 1 1 d . . .
H27 H 0.1714 0.1580 0.0097 0.034 Uiso 1 1 calc R . .
C28 C 0.2521(3) 0.0973(3) 0.0944(3) 0.0352(12) Uani 1 1 d . . .
H28 H 0.2586 0.0471 0.0666 0.042 Uiso 1 1 calc R . .
C29 C 0.2952(3) 0.1066(3) 0.1715(3) 0.0348(12) Uani 1 1 d . . .
H29 H 0.3305 0.0619 0.1955 0.042 Uiso 1 1 calc R . .
C30 C 0.2857(3) 0.1813(3) 0.2122(3) 0.0290(11) Uani 1 1 d . . .
H30 H 0.3140 0.1852 0.2637 0.035 Uiso 1 1 calc R . .
C31 C 0.2349(3) 0.2513(3) 0.1788(2) 0.0227(10) Uani 1 1 d . A .
C32 C 0.0256(2) 0.5049(3) 0.0802(2) 0.0214(9) Uani 1 1 d . . .
C33 C 0.0575(2) 0.4394(3) 0.0395(2) 0.0199(9) Uani 1 1 d . . .
C34 C 0.0318(3) 0.4353(3) -0.0402(3) 0.0225(9) Uani 1 1 d . . .
H34 H 0.0533 0.3922 -0.0669 0.027 Uiso 1 1 calc R . .
Co1 Co 0.39222(4) 0.62124(4) 0.12652(4) 0.02680(15) Uani 1 1 d . . .
N1 N 0.0575(2) 0.5054(2) 0.1614(2) 0.0209(8) Uani 1 1 d . . .
N2 N 0.1176(2) 0.3820(2) 0.0849(2) 0.0210(8) Uani 1 1 d . . .
O1 O 0.2256(2) 0.6803(3) 0.0185(2) 0.0621(13) Uani 1 1 d . . .
O2 O 0.2615(2) 0.7557(2) 0.1463(3) 0.0567(12) Uani 1 1 d . . .
O3 O 0.20364(18) 0.6011(2) 0.13518(19) 0.0300(7) Uani 1 1 d . . .
O4 O 0.3264(5) 0.5063(6) -0.0114(5) 0.0334(18) Uani 0.70 1 d P A .
O5 O 0.4376(2) 0.4307(3) 0.0953(3) 0.0612(13) Uani 1 1 d . . .
O6 O 0.2905(2) 0.4406(2) 0.10720(19) 0.0311(8) Uani 1 1 d . . .
O7 O 0.4885(2) 0.5438(4) 0.2790(3) 0.077 Uani 1 1 d . . .
O8 O 0.3969(3) 0.6626(3) 0.2967(3) 0.0775(16) Uani 1 1 d . . .
O9 O 0.3355(2) 0.5146(2) 0.25909(18) 0.0364(8) Uani 1 1 d . . .
O10 O 0.17342(19) 0.4895(2) 0.30269(18) 0.0300(7) Uani 1 1 d . . .
O11 O 0.22908(18) 0.32134(19) 0.22017(17) 0.0247(7) Uani 1 1 d . . .
P1 P 0.26329(8) 0.65968(8) 0.10715(8) 0.0327(3) Uani 1 1 d . . .
P2 P 0.35762(8) 0.49053(9) 0.08259(8) 0.0302(3) Uani 1 1 d . A .
P3 P 0.39731(8) 0.58052(10) 0.24322(7) 0.0346(3) Uani 1 1 d . A .
Tb1 Tb 0.207169(12) 0.464706(13) 0.192620(11) 0.01886(8) Uani 1 1 d . A .
C2' C 0.4443(10) 0.7497(10) 0.1392(11) 0.042(4) Uani 0.421(15) 1 d PU A 2
H2'A H 0.4269 0.8018 0.1637 0.051 Uiso 0.421(15) 1 calc PR A 2
C1' C 0.5041(8) 0.6870(11) 0.1704(8) 0.031(4) Uani 0.421(15) 1 d PU A 2
H1'A H 0.5349 0.6855 0.2246 0.037 Uiso 0.421(15) 1 calc PR A 2
C3' C 0.4180(9) 0.7209(12) 0.0599(11) 0.041(4) Uani 0.421(15) 1 d PU A 2
H3'A H 0.3773 0.7512 0.0191 0.049 Uiso 0.421(15) 1 calc PR A 2
C4' C 0.4610(11) 0.6463(12) 0.0503(9) 0.037(4) Uani 0.421(15) 1 d PU A 2
H4'A H 0.4563 0.6152 0.0014 0.044 Uiso 0.421(15) 1 calc PR A 2
C5' C 0.5136(11) 0.6263(13) 0.1159(13) 0.045(5) Uani 0.421(15) 1 d PU A 2
H5'A H 0.5531 0.5771 0.1243 0.054 Uiso 0.421(15) 1 calc PR A 2
O4' O 0.3549(12) 0.4760(14) -0.0015(12) 0.041(5) Uani 0.30 1 d 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 0.0033 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'
Co Co 0.3494 0.9721 '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
C2 C1 C5 109.0(9) .
C2 C1 Co1 70.6(6) .
C5 C1 Co1 69.7(6) .
C2 C1 H1A 125.5 .
C5 C1 H1A 125.5 .
Co1 C1 H1A 125.5 .
C1 C2 C3 106.6(9) .
C1 C2 Co1 69.5(6) .
C3 C2 Co1 70.9(5) .
C1 C2 H2A 126.7 .
C3 C2 H2A 126.7 .
Co1 C2 H2A 126.7 .
C4 C3 C2 109.0(8) .
C4 C3 Co1 71.3(5) .
C2 C3 Co1 68.6(5) .
C4 C3 H3A 125.5 .
C2 C3 H3A 125.5 .
Co1 C3 H3A 125.5 .
C3 C4 C5 107.3(9) .
C3 C4 Co1 69.1(5) .
C5 C4 Co1 67.7(6) .
C3 C4 H4A 126.3 .
C5 C4 H4A 126.3 .
Co1 C4 H4A 126.3 .
C4 C5 C1 108.0(10) .
C4 C5 Co1 72.8(6) .
C1 C5 Co1 69.2(6) .
C4 C5 H5A 126.0 .
C1 C5 H5A 126.0 .
Co1 C5 H5A 126.0 .
O1 C6 C7 119.1(6) .
O1 C6 H6A 107.5 .
C7 C6 H6A 107.5 .
O1 C6 H6B 107.5 .
C7 C6 H6B 107.5 .
H6A C6 H6B 107.0 .
C6 C7 H7A 109.5 .
C6 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C6 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
O2 C8 C9 110.7(6) .
O2 C8 H8A 109.5 .
C9 C8 H8A 109.5 .
O2 C8 H8B 109.5 .
C9 C8 H8B 109.5 .
H8A C8 H8B 108.1 .
C8 C9 H9A 109.5 .
C8 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C8 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
O4 C10 O4' 26.2(7) .
O4 C10 C11 105.6(6) .
O4' C10 C11 121.4(10) .
O4 C10 H10A 108.0 .
O4' C10 H10A 115.1 .
C11 C10 H10A 110.6 .
O4 C10 H10B 114.7 .
O4' C10 H10B 88.9 .
C11 C10 H10B 109.6 .
H10A C10 H10B 108.3 .
C10 C11 H11A 109.1 .
C10 C11 H11B 109.0 .
H11A C11 H11B 109.5 .
C10 C11 H11C 110.2 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
O5 C12 C13 110.1(5) .
O5 C12 H12A 109.6 .
C13 C12 H12A 109.6 .
O5 C12 H12B 109.6 .
C13 C12 H12B 109.6 .
H12A C12 H12B 108.2 .
C12 C13 H13A 109.5 .
C12 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C12 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
O7 C14 C15 111.4(7) .
O7 C14 H14A 109.4 .
C15 C14 H14A 109.4 .
O7 C14 H14B 109.4 .
C15 C14 H14B 109.4 .
H14A C14 H14B 108.0 .
C14 C15 H15A 109.5 .
C14 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C14 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
O8 C16 C17 122.4(9) .
O8 C16 H16A 106.7 .
C17 C16 H16A 106.7 .
O8 C16 H16B 106.7 .
C17 C16 H16B 106.7 .
H16A C16 H16B 106.6 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
N1 C18 C19 126.1(4) .
N1 C18 H18 116.9 .
C19 C18 H18 116.9 .
C20 C19 C24 119.4(4) .
C20 C19 C18 117.0(4) .
C24 C19 C18 123.5(4) .
C21 C20 C19 121.3(5) .
C21 C20 H20 119.3 .
C19 C20 H20 119.3 .
C20 C21 C22 118.8(5) .
C20 C21 H21 120.6 .
C22 C21 H21 120.6 .
C23 C22 C21 120.7(5) .
C23 C22 H22 119.6 .
C21 C22 H22 119.6 .
C22 C23 C24 122.2(5) .
C22 C23 H23 118.9 .
C24 C23 H23 118.9 .
O10 C24 C23 120.2(4) .
O10 C24 C19 122.3(4) .
C23 C24 C19 117.5(4) .
N2 C25 C26 125.9(4) .
N2 C25 H25 117.0 .
C26 C25 H25 117.0 .
C27 C26 C31 118.7(4) .
C27 C26 C25 117.4(4) .
C31 C26 C25 123.9(4) .
C28 C27 C26 122.6(4) .
C28 C27 H27 118.7 .
C26 C27 H27 118.7 .
C27 C28 C29 118.3(5) .
C27 C28 H28 120.8 .
C29 C28 H28 120.8 .
C30 C29 C28 120.5(4) .
C30 C29 H29 119.7 .
C28 C29 H29 119.7 .
C29 C30 C31 122.3(4) .
C29 C30 H30 118.9 .
C31 C30 H30 118.9 .
O11 C31 C30 119.6(4) .
O11 C31 C26 122.9(4) .
C30 C31 C26 117.5(4) .
C34 C32 C33 119.6(4) 3_565
C34 C32 N1 124.3(4) 3_565
C33 C32 N1 116.1(4) .
C34 C33 C32 120.2(4) .
C34 C33 N2 123.9(4) .
C32 C33 N2 115.9(4) .
C32 C34 C33 120.2(4) 3_565
C32 C34 H34 119.9 3_565
C33 C34 H34 119.9 .
C4' Co1 C3' 39.5(7) .
C4' Co1 C1 63.7(5) .
C3' Co1 C1 51.9(6) .
C4' Co1 C5' 37.6(7) .
C3' Co1 C5' 64.5(7) .
C1 Co1 C5' 49.4(6) .
C4' Co1 C5 48.5(6) .
C3' Co1 C5 68.6(5) .
C1 Co1 C5 41.1(5) .
C5' Co1 C5 12.9(6) .
C4' Co1 C2 53.6(6) .
C3' Co1 C2 17.9(5) .
C1 Co1 C2 39.9(4) .
C5' Co1 C2 68.6(6) .
C5 Co1 C2 68.4(5) .
C4' Co1 C1' 64.3(6) .
C3' Co1 C1' 64.6(6) .
C1 Co1 C1' 17.4(4) .
C5' Co1 C1' 38.7(7) .
C5 Co1 C1' 27.6(4) .
C2 Co1 C1' 55.7(5) .
C4' Co1 C3 22.6(5) .
C3' Co1 C3 22.9(5) .
C1 Co1 C3 66.9(4) .
C5' Co1 C3 58.0(6) .
C5 Co1 C3 66.9(4) .
C2 Co1 C3 40.6(4) .
C1' Co1 C3 74.3(4) .
C4' Co1 C2' 67.4(6) .
C3' Co1 C2' 40.7(6) .
C1 Co1 C2' 21.2(4) .
C5' Co1 C2' 66.1(7) .
C5 Co1 C2' 60.4(5) .
C2 Co1 C2' 24.0(4) .
C1' Co1 C2' 38.6(6) .
C3 Co1 C2' 61.4(5) .
C4' Co1 C4 17.1(5) .
C3' Co1 C4 55.7(6) .
C1 Co1 C4 67.2(4) .
C5' Co1 C4 26.8(5) .
C5 Co1 C4 39.5(4) .
C2 Co1 C4 67.8(4) .
C1' Co1 C4 62.1(5) .
C3 Co1 C4 39.6(4) .
C2' Co1 C4 76.8(5) .
C4' Co1 P2 94.0(4) .
C3' Co1 P2 123.0(6) .
C1 Co1 P2 149.7(4) .
C5' Co1 P2 100.3(6) .
C5 Co1 P2 108.8(4) .
C2 Co1 P2 140.8(4) .
C1' Co1 P2 135.3(5) .
C3 Co1 P2 101.0(3) .
C2' Co1 P2 161.4(4) .
C4 Co1 P2 85.7(3) .
C4' Co1 P3 144.4(6) .
C3' Co1 P3 144.6(6) .
C1 Co1 P3 95.4(3) .
C5' Co1 P3 106.8(6) .
C5 Co1 P3 96.4(4) .
C2 Co1 P3 127.1(4) .
C1' Co1 P3 87.1(4) .
C3 Co1 P3 161.4(3) .
C2' Co1 P3 103.9(5) .
C4 Co1 P3 130.0(3) .
P2 Co1 P3 91.97(6) .
C18 N1 C32 119.0(4) .
C18 N1 Tb1 131.2(3) .
C32 N1 Tb1 109.4(2) .
C25 N2 C33 121.0(4) .
C25 N2 Tb1 127.9(3) .
C33 N2 Tb1 109.9(3) .
C6 O1 P1 126.2(4) .
C8 O2 P1 119.3(4) .
P1 O3 Tb1 137.02(18) .
O4' O4 C10 78(3) .
O4' O4 P2 66(2) .
C10 O4 P2 116.9(6) .
C12 O5 P2 122.9(4) .
P2 O6 Tb1 135.76(19) .
C14 O7 P3 125.9(4) .
C16 O8 P3 128.9(5) .
P3 O9 Tb1 135.00(19) .
C24 O10 Tb1 143.6(3) .
C31 O11 Tb1 133.8(3) .
O3 P1 O1 108.57(19) .
O3 P1 O2 107.7(2) .
O1 P1 O2 102.2(3) .
O3 P1 Co1 119.54(13) .
O1 P1 Co1 110.31(17) .
O2 P1 Co1 107.13(15) .
O6 P2 O4' 112.0(8) .
O6 P2 O5 109.0(2) .
O4' P2 O5 83.1(7) .
O6 P2 O4 107.5(4) .
O4' P2 O4 23.3(7) .
O5 P2 O4 105.9(3) .
O6 P2 Co1 120.52(14) .
O4' P2 Co1 116.0(8) .
O5 P2 Co1 109.64(17) .
O4 P2 Co1 103.2(3) .
O9 P3 O8 107.8(2) .
O9 P3 O7 108.4(2) .
O8 P3 O7 100.1(3) .
O9 P3 Co1 120.21(14) .
O8 P3 Co1 111.0(2) .
O7 P3 Co1 107.38(18) .
O10 Tb1 O11 91.82(12) .
O10 Tb1 O9 83.45(12) .
O11 Tb1 O9 97.18(12) .
O10 Tb1 O3 105.12(12) .
O11 Tb1 O3 162.72(11) .
O9 Tb1 O3 81.70(11) .
O10 Tb1 O6 159.03(12) .
O11 Tb1 O6 84.34(11) .
O9 Tb1 O6 76.62(12) .
O3 Tb1 O6 78.61(11) .
O10 Tb1 N2 123.24(12) .
O11 Tb1 N2 73.38(11) .
O9 Tb1 N2 151.18(12) .
O3 Tb1 N2 99.32(12) .
O6 Tb1 N2 75.39(11) .
O10 Tb1 N1 72.67(11) .
O11 Tb1 N1 112.96(11) .
O9 Tb1 N1 141.53(13) .
O3 Tb1 N1 76.20(11) .
O6 Tb1 N1 127.72(12) .
N2 Tb1 N1 64.68(11) .
C1' C2' C3' 101.8(12) .
C1' C2' Co1 69.3(7) .
C3' C2' Co1 66.4(7) .
C1' C2' H2'A 129.1 .
C3' C2' H2'A 129.1 .
Co1 C2' H2'A 129.1 .
C5' C1' C2' 111.4(14) .
C5' C1' Co1 70.0(8) .
C2' C1' Co1 72.1(7) .
C5' C1' H1'A 124.3 .
C2' C1' H1'A 124.3 .
Co1 C1' H1'A 124.3 .
C4' C3' C2' 109.3(14) .
C4' C3' Co1 69.5(8) .
C2' C3' Co1 72.9(8) .
C4' C3' H3'A 125.4 .
C2' C3' H3'A 125.4 .
Co1 C3' H3'A 125.4 .
C5' C4' C3' 109.3(16) .
C5' C4' Co1 73.4(9) .
C3' C4' Co1 70.9(8) .
C5' C4' H4'A 125.3 .
C3' C4' H4'A 125.3 .
Co1 C4' H4'A 125.3 .
C4' C5' C1' 108.3(17) .
C4' C5' Co1 69.0(9) .
C1' C5' Co1 71.2(8) .
C4' C5' H5'A 125.9 .
C1' C5' H5'A 125.9 .
Co1 C5' H5'A 125.9 .
O4 O4' C10 76(2) .
O4 O4' P2 91(3) .
C10 O4' P2 125.5(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.412(16) .
C1 C5 1.449(17) .
C1 Co1 2.061(10) .
C1 H1A 0.9800 .
C2 C3 1.450(14) .
C2 Co1 2.075(10) .
C2 H2A 0.9800 .
C3 C4 1.435(13) .
C3 Co1 2.106(9) .
C3 H3A 0.9800 .
C4 C5 1.421(15) .
C4 Co1 2.135(10) .
C4 H4A 0.9800 .
C5 Co1 2.067(12) .
C5 H5A 0.9800 .
C6 O1 1.366(7) .
C6 C7 1.390(9) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 O2 1.413(7) .
C8 C9 1.443(9) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 O4 1.435(11) .
C10 O4' 1.45(2) .
C10 C11 1.469(8) .
C10 H10A 0.9701 .
C10 H10B 0.9700 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9599 .
C12 O5 1.449(8) .
C12 C13 1.482(8) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 O7 1.409(9) .
C14 C15 1.442(7) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 O8 1.387(9) .
C16 C17 1.408(7) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 N1 1.291(6) .
C18 C19 1.440(6) .
C18 H18 0.9300 .
C19 C20 1.406(6) .
C19 C24 1.420(6) .
C20 C21 1.374(7) .
C20 H20 0.9300 .
C21 C22 1.405(8) .
C21 H21 0.9300 .
C22 C23 1.353(7) .
C22 H22 0.9300 .
C23 C24 1.402(7) .
C23 H23 0.9300 .
C24 O10 1.308(5) .
C25 N2 1.280(6) .
C25 C26 1.437(6) .
C25 H25 0.9300 .
C26 C27 1.414(6) .
C26 C31 1.422(6) .
C27 C28 1.366(6) .
C27 H27 0.9300 .
C28 C29 1.399(7) .
C28 H28 0.9300 .
C29 C30 1.376(7) .
C29 H29 0.9300 .
C30 C31 1.396(6) .
C30 H30 0.9300 .
C31 O11 1.311(5) .
C32 C34 1.381(6) 3_565
C32 C33 1.408(6) .
C32 N1 1.422(5) .
C33 C34 1.388(6) .
C33 N2 1.420(5) .
C34 C32 1.381(6) 3_565
C34 H34 0.9300 .
Co1 C4' 2.017(13) .
Co1 C3' 2.034(13) .
Co1 C5' 2.070(17) .
Co1 C1' 2.085(11) .
Co1 C2' 2.121(14) .
Co1 P2 2.1573(15) .
Co1 P3 2.1600(14) .
N1 Tb1 2.486(3) .
N2 Tb1 2.472(3) .
O1 P1 1.588(4) .
O2 P1 1.619(4) .
O3 P1 1.504(3) .
O3 Tb1 2.303(3) .
O4 O4' 0.653(17) .
O4 P2 1.653(9) .
O5 P2 1.577(4) .
O6 P2 1.499(3) .
O6 Tb1 2.326(3) .
O7 P3 1.593(4) .
O8 P3 1.570(4) .
O9 P3 1.507(3) .
O9 Tb1 2.300(3) .
O10 Tb1 2.207(3) .
O11 Tb1 2.238(3) .
P2 O4' 1.51(2) .
C2' C1' 1.39(2) .
C2' C3' 1.45(2) .
C2' H2'A 0.9800 .
C1' C5' 1.38(2) .
C1' H1'A 0.9800 .
C3' C4' 1.37(2) .
C3' H3'A 0.9800 .
C4' C5' 1.32(3) .
C4' H4'A 0.9800 .
C5' H5'A 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C5 C1 C2 C3 -2.2(11) . .
Co1 C1 C2 C3 -61.5(6) . .
C5 C1 C2 Co1 59.3(8) . .
C1 C2 C3 C4 0.6(11) . .
Co1 C2 C3 C4 -60.1(6) . .
C1 C2 C3 Co1 60.6(7) . .
C2 C3 C4 C5 1.3(11) . .
Co1 C3 C4 C5 -57.0(7) . .
C2 C3 C4 Co1 58.4(6) . .
C3 C4 C5 C1 -2.7(11) . .
Co1 C4 C5 C1 -60.6(7) . .
C3 C4 C5 Co1 57.9(7) . .
C2 C1 C5 C4 3.1(12) . .
Co1 C1 C5 C4 62.9(8) . .
C2 C1 C5 Co1 -59.8(7) . .
N1 C18 C19 C20 -178.9(5) . .
N1 C18 C19 C24 -0.3(7) . .
C24 C19 C20 C21 0.0(8) . .
C18 C19 C20 C21 178.7(5) . .
C19 C20 C21 C22 -0.6(9) . .
C20 C21 C22 C23 0.6(9) . .
C21 C22 C23 C24 -0.1(9) . .
C22 C23 C24 O10 179.9(5) . .
C22 C23 C24 C19 -0.5(8) . .
C20 C19 C24 O10 -179.8(4) . .
C18 C19 C24 O10 1.6(7) . .
C20 C19 C24 C23 0.5(7) . .
C18 C19 C24 C23 -178.1(4) . .
N2 C25 C26 C27 -172.0(4) . .
N2 C25 C26 C31 10.1(7) . .
C31 C26 C27 C28 1.5(7) . .
C25 C26 C27 C28 -176.6(4) . .
C26 C27 C28 C29 0.2(8) . .
C27 C28 C29 C30 -0.3(8) . .
C28 C29 C30 C31 -1.4(8) . .
C29 C30 C31 O11 -179.2(4) . .
C29 C30 C31 C26 3.1(7) . .
C27 C26 C31 O11 179.3(4) . .
C25 C26 C31 O11 -2.8(7) . .
C27 C26 C31 C30 -3.1(6) . .
C25 C26 C31 C30 174.8(4) . .
C34 C32 C33 C34 0.3(7) 3_565 .
N1 C32 C33 C34 -178.2(4) . .
C34 C32 C33 N2 178.6(4) 3_565 .
N1 C32 C33 N2 0.1(6) . .
C32 C33 C34 C32 -0.3(7) . 3_565
N2 C33 C34 C32 -178.5(4) . 3_565
C2 C1 Co1 C4' 63.8(8) . .
C5 C1 Co1 C4' -56.1(8) . .
C2 C1 Co1 C3' 18.7(7) . .
C5 C1 Co1 C3' -101.2(10) . .
C2 C1 Co1 C5' 106.0(10) . .
C5 C1 Co1 C5' -14.0(9) . .
C2 C1 Co1 C5 119.9(9) . .
C5 C1 Co1 C2 -119.9(9) . .
C2 C1 Co1 C1' 152(2) . .
C5 C1 Co1 C1' 31.6(17) . .
C2 C1 Co1 C3 39.1(6) . .
C5 C1 Co1 C3 -80.8(7) . .
C2 C1 Co1 C2' -31.3(14) . .
C5 C1 Co1 C2' -151.2(18) . .
C2 C1 Co1 C4 82.2(7) . .
C5 C1 Co1 C4 -37.7(6) . .
C2 C1 Co1 P2 110.4(10) . .
C5 C1 Co1 P2 -9.6(12) . .
C2 C1 Co1 P3 -146.4(7) . .
C5 C1 Co1 P3 93.7(7) . .
C4 C5 Co1 C4' -21.0(7) . .
C1 C5 Co1 C4' 96.6(9) . .
C4 C5 Co1 C3' -61.6(8) . .
C1 C5 Co1 C3' 56.0(9) . .
C4 C5 Co1 C1 -117.6(9) . .
C4 C5 Co1 C5' 7(3) . .
C1 C5 Co1 C5' 125(4) . .
C4 C5 Co1 C2 -80.9(7) . .
C1 C5 Co1 C2 36.7(6) . .
C4 C5 Co1 C1' -137.3(14) . .
C1 C5 Co1 C1' -19.7(11) . .
C4 C5 Co1 C3 -36.8(6) . .
C1 C5 Co1 C3 80.7(7) . .
C4 C5 Co1 C2' -106.0(8) . .
C1 C5 Co1 C2' 11.6(7) . .
C1 C5 Co1 C4 117.6(9) . .
C4 C5 Co1 P2 57.3(7) . .
C1 C5 Co1 P2 174.9(6) . .
C4 C5 Co1 P3 151.6(6) . .
C1 C5 Co1 P3 -90.8(7) . .
C1 C2 Co1 C4' -91.4(9) . .
C3 C2 Co1 C4' 25.6(6) . .
C1 C2 Co1 C3' -125(2) . .
C3 C2 Co1 C3' -7.9(18) . .
C3 C2 Co1 C1 117.0(8) . .
C1 C2 Co1 C5' -51.6(8) . .
C3 C2 Co1 C5' 65.3(8) . .
C1 C2 Co1 C5 -37.8(7) . .
C3 C2 Co1 C5 79.2(6) . .
C1 C2 Co1 C1' -9.9(8) . .
C3 C2 Co1 C1' 107.0(8) . .
C1 C2 Co1 C3 -117.0(8) . .
C1 C2 Co1 C2' 27.5(12) . .
C3 C2 Co1 C2' 144.5(15) . .
C1 C2 Co1 C4 -80.5(7) . .
C3 C2 Co1 C4 36.5(5) . .
C1 C2 Co1 P2 -131.5(7) . .
C3 C2 Co1 P2 -14.5(8) . .
C1 C2 Co1 P3 43.7(8) . .
C3 C2 Co1 P3 160.7(5) . .
C4 C3 Co1 C4' 4.7(13) . .
C2 C3 Co1 C4' -115.4(14) . .
C4 C3 Co1 C3' 126.4(16) . .
C2 C3 Co1 C3' 6.2(14) . .
C4 C3 Co1 C1 81.7(6) . .
C2 C3 Co1 C1 -38.5(6) . .
C4 C3 Co1 C5' 26.3(7) . .
C2 C3 Co1 C5' -93.9(8) . .
C4 C3 Co1 C5 36.8(6) . .
C2 C3 Co1 C5 -83.3(7) . .
C4 C3 Co1 C2 120.1(8) . .
C4 C3 Co1 C1' 65.0(7) . .
C2 C3 Co1 C1' -55.1(7) . .
C4 C3 Co1 C2' 104.5(7) . .
C2 C3 Co1 C2' -15.6(7) . .
C2 C3 Co1 C4 -120.1(8) . .
C4 C3 Co1 P2 -69.2(5) . .
C2 C3 Co1 P2 170.7(5) . .
C4 C3 Co1 P3 64.2(12) . .
C2 C3 Co1 P3 -55.9(13) . .
C3 C4 Co1 C4' -6.2(17) . .
C5 C4 Co1 C4' 114(2) . .
C3 C4 Co1 C3' -22.3(7) . .
C5 C4 Co1 C3' 97.7(9) . .
C3 C4 Co1 C1 -80.8(6) . .
C5 C4 Co1 C1 39.2(7) . .
C3 C4 Co1 C5' -123.6(15) . .
C5 C4 Co1 C5' -3.6(16) . .
C3 C4 Co1 C5 -120.0(9) . .
C3 C4 Co1 C2 -37.4(5) . .
C5 C4 Co1 C2 82.6(7) . .
C3 C4 Co1 C1' -99.2(7) . .
C5 C4 Co1 C1' 20.8(7) . .
C5 C4 Co1 C3 120.0(9) . .
C3 C4 Co1 C2' -60.8(7) . .
C5 C4 Co1 C2' 59.1(8) . .
C3 C4 Co1 P2 113.0(5) . .
C5 C4 Co1 P2 -127.0(7) . .
C3 C4 Co1 P3 -158.0(5) . .
C5 C4 Co1 P3 -38.0(8) . .
C19 C18 N1 C32 -177.6(4) . .
C19 C18 N1 Tb1 -5.8(7) . .
C34 C32 N1 C18 31.1(6) 3_565 .
C33 C32 N1 C18 -150.5(4) . .
C34 C32 N1 Tb1 -142.4(4) 3_565 .
C33 C32 N1 Tb1 36.1(4) . .
C26 C25 N2 C33 178.9(4) . .
C26 C25 N2 Tb1 13.3(6) . .
C34 C33 N2 C25 -26.3(6) . .
C32 C33 N2 C25 155.4(4) . .
C34 C33 N2 Tb1 141.6(4) . .
C32 C33 N2 Tb1 -36.7(4) . .
C7 C6 O1 P1 166.5(7) . .
C9 C8 O2 P1 -176.4(5) . .
C11 C10 O4 O4' -131(3) . .
O4' C10 O4 P2 -55(2) . .
C11 C10 O4 P2 173.7(5) . .
C13 C12 O5 P2 95.6(5) . .
C15 C14 O7 P3 -97.2(7) . .
C17 C16 O8 P3 76.6(11) . .
C23 C24 O10 Tb1 -175.3(4) . .
C19 C24 O10 Tb1 5.1(8) . .
C30 C31 O11 Tb1 149.3(3) . .
C26 C31 O11 Tb1 -33.1(6) . .
Tb1 O3 P1 O1 122.9(3) . .
Tb1 O3 P1 O2 -127.2(3) . .
Tb1 O3 P1 Co1 -4.8(4) . .
C6 O1 P1 O3 2.1(7) . .
C6 O1 P1 O2 -111.5(6) . .
C6 O1 P1 Co1 134.8(6) . .
C8 O2 P1 O3 -41.9(5) . .
C8 O2 P1 O1 72.3(5) . .
C8 O2 P1 Co1 -171.7(5) . .
C4' Co1 P1 O3 144.7(5) . .
C3' Co1 P1 O3 172.0(7) . .
C1 Co1 P1 O3 -140.2(4) . .
C5' Co1 P1 O3 170.3(15) . .
C5 Co1 P1 O3 -155.7(10) . .
C2 Co1 P1 O3 -170.2(4) . .
C1' Co1 P1 O3 -131.1(6) . .
C3 Co1 P1 O3 150.4(3) . .
C2' Co1 P1 O3 -147.4(5) . .
C4 Co1 P1 O3 134.0(4) . .
P2 Co1 P1 O3 48.97(18) . .
P3 Co1 P1 O3 -43.06(18) . .
C4' Co1 P1 O1 17.8(5) . .
C3' Co1 P1 O1 45.2(7) . .
C1 Co1 P1 O1 92.9(4) . .
C5' Co1 P1 O1 43.4(16) . .
C5 Co1 P1 O1 77.4(10) . .
C2 Co1 P1 O1 62.9(4) . .
C1' Co1 P1 O1 102.0(6) . .
C3 Co1 P1 O1 23.5(4) . .
C2' Co1 P1 O1 85.7(5) . .
C4 Co1 P1 O1 7.1(5) . .
P2 Co1 P1 O1 -77.91(19) . .
P3 Co1 P1 O1 -169.93(19) . .
C4' Co1 P1 O2 -92.7(5) . .
C3' Co1 P1 O2 -65.3(7) . .
C1 Co1 P1 O2 -17.6(4) . .
C5' Co1 P1 O2 -67.0(15) . .
C5 Co1 P1 O2 -33.0(10) . .
C2 Co1 P1 O2 -47.6(4) . .
C1' Co1 P1 O2 -8.4(6) . .
C3 Co1 P1 O2 -86.9(3) . .
C2' Co1 P1 O2 -24.7(5) . .
C4 Co1 P1 O2 -103.3(4) . .
P2 Co1 P1 O2 171.63(18) . .
P3 Co1 P1 O2 79.60(18) . .
Tb1 O6 P2 O4' -145.2(8) . .
Tb1 O6 P2 O5 124.7(3) . .
Tb1 O6 P2 O4 -120.9(4) . .
Tb1 O6 P2 Co1 -3.3(4) . .
C12 O5 P2 O6 -15.6(5) . .
C12 O5 P2 O4' -126.5(9) . .
C12 O5 P2 O4 -131.0(6) . .
C12 O5 P2 Co1 118.3(4) . .
O4' O4 P2 O6 -105(3) . .
C10 O4 P2 O6 -43.4(6) . .
C10 O4 P2 O4' 62(2) . .
O4' O4 P2 O5 11(3) . .
C10 O4 P2 O5 73.0(6) . .
O4' O4 P2 Co1 127(3) . .
C10 O4 P2 Co1 -171.8(5) . .
C4' Co1 P2 O6 -168.3(6) . .
C3' Co1 P2 O6 -139.4(6) . .
C1 Co1 P2 O6 151.0(7) . .
C5' Co1 P2 O6 154.4(6) . .
C5 Co1 P2 O6 144.3(4) . .
C2 Co1 P2 O6 -137.0(5) . .
C1' Co1 P2 O6 134.8(6) . .
C3 Co1 P2 O6 -146.5(3) . .
C2' Co1 P2 O6 -164.2(16) . .
C4 Co1 P2 O6 176.8(4) . .
P3 Co1 P2 O6 46.85(18) . .
C4' Co1 P2 O4' -27.8(10) . .
C3' Co1 P2 O4' 1.1(10) . .
C1 Co1 P2 O4' -68.6(10) . .
C5' Co1 P2 O4' -65.2(10) . .
C5 Co1 P2 O4' -75.2(9) . .
C2 Co1 P2 O4' 3.5(9) . .
C1' Co1 P2 O4' -84.8(10) . .
C3 Co1 P2 O4' -6.1(8) . .
C2' Co1 P2 O4' -23.8(18) . .
C4 Co1 P2 O4' -42.7(9) . .
P3 Co1 P2 O4' -172.7(8) . .
C4' Co1 P2 O5 63.9(6) . .
C3' Co1 P2 O5 92.9(6) . .
C1 Co1 P2 O5 23.2(7) . .
C5' Co1 P2 O5 26.6(6) . .
C5 Co1 P2 O5 16.6(4) . .
C2 Co1 P2 O5 95.3(5) . .
C1' Co1 P2 O5 7.0(6) . .
C3 Co1 P2 O5 85.7(4) . .
C2' Co1 P2 O5 68.0(16) . .
C4 Co1 P2 O5 49.1(4) . .
P3 Co1 P2 O5 -80.9(2) . .
C4' Co1 P2 O4 -48.5(7) . .
C3' Co1 P2 O4 -19.6(6) . .
C1 Co1 P2 O4 -89.3(7) . .
C5' Co1 P2 O4 -85.9(7) . .
C5 Co1 P2 O4 -95.9(5) . .
C2 Co1 P2 O4 -17.2(5) . .
C1' Co1 P2 O4 -105.4(6) . .
C3 Co1 P2 O4 -26.8(4) . .
C2' Co1 P2 O4 -44.4(17) . .
C4 Co1 P2 O4 -63.4(4) . .
P3 Co1 P2 O4 166.6(3) . .
Tb1 O9 P3 O8 109.0(4) . .
Tb1 O9 P3 O7 -143.5(3) . .
Tb1 O9 P3 Co1 -19.6(4) . .
C16 O8 P3 O9 -18.2(8) . .
C16 O8 P3 O7 -131.4(7) . .
C16 O8 P3 Co1 115.4(7) . .
C14 O7 P3 O9 -9.4(7) . .
C14 O7 P3 O8 103.3(6) . .
C14 O7 P3 Co1 -140.7(5) . .
C4' Co1 P3 O9 -136.7(8) . .
C3' Co1 P3 O9 152.1(8) . .
C1 Co1 P3 O9 172.5(4) . .
C5' Co1 P3 O9 -138.4(6) . .
C5 Co1 P3 O9 -146.1(4) . .
C2 Co1 P3 O9 146.1(4) . .
C1' Co1 P3 O9 -172.1(6) . .
C3 Co1 P3 O9 -171.4(10) . .
C2' Co1 P3 O9 152.8(5) . .
C4 Co1 P3 O9 -122.9(4) . .
P2 Co1 P3 O9 -36.9(2) . .
C4' Co1 P3 O8 96.2(8) . .
C3' Co1 P3 O8 25.0(9) . .
C1 Co1 P3 O8 45.5(4) . .
C5' Co1 P3 O8 94.6(6) . .
C5 Co1 P3 O8 86.8(4) . .
C2 Co1 P3 O8 19.0(4) . .
C1' Co1 P3 O8 60.8(6) . .
C3 Co1 P3 O8 61.6(10) . .
C2' Co1 P3 O8 25.7(5) . .
C4 Co1 P3 O8 110.0(4) . .
P2 Co1 P3 O8 -164.0(2) . .
C4' Co1 P3 O7 -12.2(8) . .
C3' Co1 P3 O7 -83.4(9) . .
C1 Co1 P3 O7 -63.0(5) . .
C5' Co1 P3 O7 -13.9(6) . .
C5 Co1 P3 O7 -21.7(5) . .
C2 Co1 P3 O7 -89.5(4) . .
C1' Co1 P3 O7 -47.7(6) . .
C3 Co1 P3 O7 -46.9(10) . .
C2' Co1 P3 O7 -82.8(5) . .
C4 Co1 P3 O7 1.5(4) . .
P2 Co1 P3 O7 87.5(2) . .
C24 O10 Tb1 O11 -120.9(5) . .
C24 O10 Tb1 O9 142.0(5) . .
C24 O10 Tb1 O3 62.5(5) . .
C24 O10 Tb1 O6 160.2(4) . .
C24 O10 Tb1 N2 -49.7(5) . .
C24 O10 Tb1 N1 -7.4(5) . .
C31 O11 Tb1 O10 162.9(4) . .
C31 O11 Tb1 O9 -113.5(4) . .
C31 O11 Tb1 O3 -28.4(6) . .
C31 O11 Tb1 O6 -37.8(4) . .
C31 O11 Tb1 N2 38.6(4) . .
C31 O11 Tb1 N1 90.9(4) . .
P3 O9 Tb1 O10 -131.7(3) . .
P3 O9 Tb1 O11 137.3(3) . .
P3 O9 Tb1 O3 -25.3(3) . .
P3 O9 Tb1 O6 54.8(3) . .
P3 O9 Tb1 N2 68.9(4) . .
P3 O9 Tb1 N1 -80.5(4) . .
P1 O3 Tb1 O10 120.7(3) . .
P1 O3 Tb1 O11 -47.6(5) . .
P1 O3 Tb1 O9 39.9(3) . .
P1 O3 Tb1 O6 -38.0(3) . .
P1 O3 Tb1 N2 -111.0(3) . .
P1 O3 Tb1 N1 -171.8(3) . .
P2 O6 Tb1 O10 -59.9(5) . .
P2 O6 Tb1 O11 -140.2(3) . .
P2 O6 Tb1 O9 -41.4(3) . .
P2 O6 Tb1 O3 42.6(3) . .
P2 O6 Tb1 N2 145.5(3) . .
P2 O6 Tb1 N1 105.0(3) . .
C25 N2 Tb1 O10 -108.6(4) . .
C33 N2 Tb1 O10 84.5(3) . .
C25 N2 Tb1 O11 -27.6(4) . .
C33 N2 Tb1 O11 165.5(3) . .
C25 N2 Tb1 O9 46.6(5) . .
C33 N2 Tb1 O9 -120.3(3) . .
C25 N2 Tb1 O3 136.3(4) . .
C33 N2 Tb1 O3 -30.6(3) . .
C25 N2 Tb1 O6 60.7(4) . .
C33 N2 Tb1 O6 -106.1(3) . .
C25 N2 Tb1 N1 -153.9(4) . .
C33 N2 Tb1 N1 39.2(2) . .
C18 N1 Tb1 O10 7.1(4) . .
C32 N1 Tb1 O10 179.5(3) . .
C18 N1 Tb1 O11 91.6(4) . .
C32 N1 Tb1 O11 -96.0(3) . .
C18 N1 Tb1 O9 -47.1(5) . .
C32 N1 Tb1 O9 125.3(3) . .
C18 N1 Tb1 O3 -103.9(4) . .
C32 N1 Tb1 O3 68.5(3) . .
C18 N1 Tb1 O6 -167.3(4) . .
C32 N1 Tb1 O6 5.1(3) . .
C18 N1 Tb1 N2 148.6(4) . .
C32 N1 Tb1 N2 -39.0(3) . .
C4' Co1 C2' C1' -76.6(10) . .
C3' Co1 C2' C1' -113.7(12) . .
C1 Co1 C2' C1' -1.3(14) . .
C5' Co1 C2' C1' -35.6(9) . .
C5 Co1 C2' C1' -22.7(8) . .
C2 Co1 C2' C1' -126.4(16) . .
C3 Co1 C2' C1' -100.9(9) . .
C4 Co1 C2' C1' -61.6(8) . .
P2 Co1 C2' C1' -81.0(19) . .
P3 Co1 C2' C1' 66.9(8) . .
C4' Co1 C2' C3' 37.1(9) . .
C1 Co1 C2' C3' 112.4(17) . .
C5' Co1 C2' C3' 78.1(10) . .
C5 Co1 C2' C3' 91.1(9) . .
C2 Co1 C2' C3' -12.6(13) . .
C1' Co1 C2' C3' 113.7(12) . .
C3 Co1 C2' C3' 12.9(8) . .
C4 Co1 C2' C3' 52.2(9) . .
P2 Co1 C2' C3' 33(2) . .
P3 Co1 C2' C3' -179.4(9) . .
C3' C2' C1' C5' 0.2(14) . .
Co1 C2' C1' C5' 59.2(10) . .
C3' C2' C1' Co1 -59.0(8) . .
C4' Co1 C1' C5' -36.3(11) . .
C3' Co1 C1' C5' -80.3(12) . .
C1 Co1 C1' C5' -120(2) . .
C5 Co1 C1' C5' 11.9(14) . .
C2 Co1 C1' C5' -98.3(11) . .
C3 Co1 C1' C5' -58.0(11) . .
C2' Co1 C1' C5' -121.7(13) . .
C4 Co1 C1' C5' -17.3(10) . .
P2 Co1 C1' C5' 31.8(13) . .
P3 Co1 C1' C5' 121.7(12) . .
C4' Co1 C1' C2' 85.4(10) . .
C3' Co1 C1' C2' 41.4(9) . .
C1 Co1 C1' C2' 1.6(17) . .
C5' Co1 C1' C2' 121.7(13) . .
C5 Co1 C1' C2' 133.6(15) . .
C2 Co1 C1' C2' 23.4(7) . .
C3 Co1 C1' C2' 63.6(8) . .
C4 Co1 C1' C2' 104.4(9) . .
P2 Co1 C1' C2' 153.4(8) . .
P3 Co1 C1' C2' -116.6(8) . .
C1' C2' C3' C4' 0.7(14) . .
Co1 C2' C3' C4' -60.3(9) . .
C1' C2' C3' Co1 61.0(8) . .
C1 Co1 C3' C4' 93.8(10) . .
C5' Co1 C3' C4' 36.6(10) . .
C5 Co1 C3' C4' 50.0(9) . .
C2 Co1 C3' C4' 136(2) . .
C1' Co1 C3' C4' 79.7(10) . .
C3 Co1 C3' C4' -31.0(12) . .
C2' Co1 C3' C4' 118.9(13) . .
C4 Co1 C3' C4' 7.4(9) . .
P2 Co1 C3' C4' -49.2(11) . .
P3 Co1 C3' C4' 120.0(13) . .
C4' Co1 C3' C2' -118.9(13) . .
C1 Co1 C3' C2' -25.2(7) . .
C5' Co1 C3' C2' -82.3(10) . .
C5 Co1 C3' C2' -69.0(9) . .
C2 Co1 C3' C2' 16.8(17) . .
C1' Co1 C3' C2' -39.2(8) . .
C3 Co1 C3' C2' -149.9(18) . .
C4 Co1 C3' C2' -111.6(10) . .
P2 Co1 C3' C2' -168.2(8) . .
P3 Co1 C3' C2' 1.0(15) . .
C2' C3' C4' C5' -1.5(16) . .
Co1 C3' C4' C5' -63.8(11) . .
C2' C3' C4' Co1 62.4(9) . .
C3' Co1 C4' C5' 117.9(15) . .
C1 Co1 C4' C5' 56.7(11) . .
C5 Co1 C4' C5' 10.0(12) . .
C2 Co1 C4' C5' 102.4(12) . .
C1' Co1 C4' C5' 37.4(11) . .
C3 Co1 C4' C5' 149(2) . .
C2' Co1 C4' C5' 79.7(12) . .
C4 Co1 C4' C5' -41.0(18) . .
P2 Co1 C4' C5' -101.7(12) . .
P3 Co1 C4' C5' -2.6(17) . .
C1 Co1 C4' C3' -61.2(10) . .
C5' Co1 C4' C3' -117.9(15) . .
C5 Co1 C4' C3' -107.9(11) . .
C2 Co1 C4' C3' -15.5(9) . .
C1' Co1 C4' C3' -80.5(11) . .
C3 Co1 C4' C3' 31.4(12) . .
C2' Co1 C4' C3' -38.2(9) . .
C4 Co1 C4' C3' -159(2) . .
P2 Co1 C4' C3' 140.4(11) . .
P3 Co1 C4' C3' -120.5(13) . .
C3' C4' C5' C1' 1.6(17) . .
Co1 C4' C5' C1' -60.7(10) . .
C3' C4' C5' Co1 62.3(10) . .
C2' C1' C5' C4' -1.1(17) . .
Co1 C1' C5' C4' 59.3(11) . .
C2' C1' C5' Co1 -60.4(9) . .
C3' Co1 C5' C4' -38.6(11) . .
C1 Co1 C5' C4' -99.1(13) . .
C5 Co1 C5' C4' -144(4) . .
C2 Co1 C5' C4' -57.6(11) . .
C1' Co1 C5' C4' -119.0(16) . .
C3 Co1 C5' C4' -13.4(9) . .
C2' Co1 C5' C4' -83.5(12) . .
C4 Co1 C5' C4' 25.3(10) . .
P2 Co1 C5' C4' 83.1(11) . .
P3 Co1 C5' C4' 178.4(10) . .
C4' Co1 C5' C1' 119.0(16) . .
C3' Co1 C5' C1' 80.4(11) . .
C1 Co1 C5' C1' 19.9(7) . .
C5 Co1 C5' C1' -25(3) . .
C2 Co1 C5' C1' 61.4(10) . .
C3 Co1 C5' C1' 105.6(11) . .
C2' Co1 C5' C1' 35.5(9) . .
C4 Co1 C5' C1' 144(2) . .
P2 Co1 C5' C1' -157.9(10) . .
P3 Co1 C5' C1' -62.6(11) . .
P2 O4 O4' C10 126.7(10) . .
C10 O4 O4' P2 -126.7(10) . .
C11 C10 O4' O4 58(3) . .
O4 C10 O4' P2 80(3) . .
C11 C10 O4' P2 138.5(13) . .
O6 P2 O4' O4 83(3) . .
O5 P2 O4' O4 -169(3) . .
Co1 P2 O4' O4 -60(3) . .
O6 P2 O4' C10 10.6(18) . .
O5 P2 O4' C10 118.3(16) . .
O4 P2 O4' C10 -73(2) . .
Co1 P2 O4' C10 -133.2(13) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.163 0.195 0.869 179 38 ' '
2 0.623 0.099 0.702 29 2 ' '
3 0.715 0.097 0.949 13 1 ' '
4 0.163 0.305 0.369 179 38 ' '
5 0.623 0.401 0.202 29 2 ' '
6 0.715 0.403 0.449 13 1 ' '
7 0.377 0.599 0.798 29 2 ' '
8 0.836 0.695 0.631 179 38 ' '
9 0.285 0.597 0.551 13 1 ' '
10 0.837 0.805 0.131 179 38 ' '
11 0.377 0.901 0.298 29 2 ' '
12 0.285 0.903 0.051 13 1 ' '
