#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/69/7036949.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_7036949
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_moiety         'C68 H92 Co2 Gd2 N4 O22 P6'
_chemical_formula_sum            'C68 H92 Co2 Gd2 N4 O22 P6'
_chemical_formula_weight         1935.64
_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
;
2015-09-11 deposited with the CCDC.
2015-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.282(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.6338(8)
_cell_length_b                   15.3666(7)
_cell_length_c                   18.0084(8)
_cell_measurement_reflns_used    7535
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.33
_cell_volume                     4460.8(4)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25696
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    2.005
_exptl_absorpt_correction_T_max  0.6899
_exptl_absorpt_correction_T_min  0.6237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.911
_refine_diff_density_min         -1.637
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         9725
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.045P)²+1.88P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                7419
_reflns_number_total             9725
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03580e2.cif
_cod_data_source_block           gf73_0m
_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               7036949
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
C1 C 0.4844(3) 0.2129(3) 0.1608(3) 0.0551(14) Uani 1 1 d .
H1 H 0.5004 0.2422 0.2106 0.066 Uiso 1 1 calc R
C2 C 0.5197(3) 0.1358(3) 0.1386(3) 0.0496(12) Uani 1 1 d .
H2 H 0.5638 0.1008 0.1713 0.060 Uiso 1 1 calc R
C3 C 0.4834(3) 0.1212(3) 0.0623(3) 0.0511(13) Uani 1 1 d .
H3 H 0.4956 0.0719 0.0324 0.061 Uiso 1 1 calc R
C4 C 0.4256(3) 0.1843(4) 0.0353(3) 0.0531(13) Uani 1 1 d .
H4 H 0.3906 0.1880 -0.0170 0.064 Uiso 1 1 calc R
C5 C 0.4252(3) 0.2424(3) 0.0938(3) 0.0578(15) Uani 1 1 d .
H5 H 0.3913 0.2952 0.0897 0.069 Uiso 1 1 calc R
C6 C 0.4503(3) -0.1449(3) 0.1426(3) 0.0509(12) Uani 1 1 d .
H6A H 0.4192 -0.1386 0.1814 0.061 Uiso 1 1 calc R
H6B H 0.5087 -0.1501 0.1684 0.061 Uiso 1 1 calc R
C7 C 0.4220(3) -0.2254(3) 0.0954(3) 0.0504(12) Uani 1 1 d .
H7A H 0.3629 -0.2235 0.0755 0.076 Uiso 1 1 calc R
H7B H 0.4367 -0.2761 0.1270 0.076 Uiso 1 1 calc R
H7C H 0.4485 -0.2278 0.0537 0.076 Uiso 1 1 calc R
C8 C 0.2910(3) -0.0666(3) -0.0573(3) 0.0453(11) Uani 1 1 d .
H8A H 0.2451 -0.0882 -0.0381 0.054 Uiso 1 1 calc R
H8B H 0.3291 -0.1142 -0.0578 0.054 Uiso 1 1 calc R
C9 C 0.2595(3) -0.0294(3) -0.1372(3) 0.0570(14) Uani 1 1 d .
H9A H 0.2103 0.0042 -0.1394 0.086 Uiso 1 1 calc R
H9B H 0.2469 -0.0760 -0.1737 0.086 Uiso 1 1 calc R
H9C H 0.3013 0.0073 -0.1491 0.086 Uiso 1 1 calc R
C10 C 0.5114(3) -0.0309(3) 0.3311(3) 0.0602(14) Uani 1 1 d .
H10A H 0.4630 -0.0679 0.3251 0.072 Uiso 1 1 calc R
H10B H 0.5551 -0.0645 0.3178 0.072 Uiso 1 1 calc R
C11 C 0.5387(4) -0.0014(4) 0.4110(3) 0.0698(16) Uani 1 1 d .
H11A H 0.5958 0.0159 0.4217 0.105 Uiso 1 1 calc R
H11B H 0.5326 -0.0481 0.4446 0.105 Uiso 1 1 calc R
H11C H 0.5054 0.0471 0.4188 0.105 Uiso 1 1 calc R
C12 C 0.3323(4) 0.1878(4) 0.3357(3) 0.0658(16) Uani 1 1 d .
H12A H 0.3376 0.2495 0.3472 0.079 Uiso 1 1 calc R
H12B H 0.2778 0.1779 0.3020 0.079 Uiso 1 1 calc R
C13 C 0.3397(4) 0.1385(4) 0.4074(3) 0.0724(17) Uani 1 1 d .
H13A H 0.3209 0.0799 0.3955 0.109 Uiso 1 1 calc R
H13B H 0.3063 0.1657 0.4374 0.109 Uiso 1 1 calc R
H13C H 0.3966 0.1378 0.4360 0.109 Uiso 1 1 calc R
C14 C 0.1533(3) 0.1467(3) -0.0249(3) 0.0532(13) Uani 1 1 d .
H14A H 0.1120 0.1441 0.0048 0.064 Uiso 1 1 calc R
H14B H 0.1650 0.0875 -0.0376 0.064 Uiso 1 1 calc R
C15 C 0.1175(3) 0.1944(4) -0.0970(3) 0.0732(18) Uani 1 1 d .
H15A H 0.0791 0.2375 -0.0880 0.110 Uiso 1 1 calc R
H15B H 0.0890 0.1543 -0.1354 0.110 Uiso 1 1 calc R
H15C H 0.1612 0.2225 -0.1143 0.110 Uiso 1 1 calc R
C16 C 0.1847(3) 0.2908(3) 0.1505(3) 0.0569(13) Uani 1 1 d .
H16A H 0.1588 0.2552 0.1826 0.068 Uiso 1 1 calc R
H16B H 0.1483 0.2927 0.0994 0.068 Uiso 1 1 calc R
C17 C 0.1995(3) 0.3805(3) 0.1826(3) 0.0630(15) Uani 1 1 d .
H17A H 0.2488 0.3810 0.2237 0.095 Uiso 1 1 calc R
H17B H 0.1530 0.3984 0.2017 0.095 Uiso 1 1 calc R
H17C H 0.2061 0.4199 0.1432 0.095 Uiso 1 1 calc R
C18 C 0.0110(3) 0.0327(3) 0.2042(2) 0.0354(10) Uani 1 1 d .
H18 H -0.0430 0.0486 0.1799 0.042 Uiso 1 1 calc R
C19 C 0.0353(3) 0.0405(3) 0.2871(2) 0.0348(9) Uani 1 1 d .
C20 C -0.0260(3) 0.0698(3) 0.3219(3) 0.0437(11) Uani 1 1 d .
H20 H -0.0781 0.0846 0.2918 0.052 Uiso 1 1 calc R
C21 C -0.0099(3) 0.0771(3) 0.4009(3) 0.0469(12) Uani 1 1 d .
H21 H -0.0509 0.0971 0.4237 0.056 Uiso 1 1 calc R
C22 C 0.0672(3) 0.0545(3) 0.4456(3) 0.0452(11) Uani 1 1 d .
H22 H 0.0779 0.0587 0.4987 0.054 Uiso 1 1 calc R
C23 C 0.1284(3) 0.0257(3) 0.4121(2) 0.0396(10) Uani 1 1 d .
H23 H 0.1803 0.0112 0.4429 0.048 Uiso 1 1 calc R
C24 C 0.1139(3) 0.0178(3) 0.3319(2) 0.0362(10) Uani 1 1 d .
C25 C 0.1281(2) -0.1944(3) 0.0608(2) 0.0337(9) Uani 1 1 d .
H25 H 0.0942 -0.2112 0.0138 0.040 Uiso 1 1 calc R
C26 C 0.1883(2) -0.2574(3) 0.1011(2) 0.0321(9) Uani 1 1 d .
C27 C 0.1966(3) -0.3336(3) 0.0611(2) 0.0385(10) Uani 1 1 d .
H27 H 0.1666 -0.3395 0.0104 0.046 Uiso 1 1 calc R
C28 C 0.2483(3) -0.3999(3) 0.0951(3) 0.0400(10) Uani 1 1 d .
H28 H 0.2538 -0.4498 0.0676 0.048 Uiso 1 1 calc R
C29 C 0.2920(3) -0.3915(3) 0.1712(3) 0.0435(11) Uani 1 1 d .
H29 H 0.3263 -0.4364 0.1949 0.052 Uiso 1 1 calc R
C30 C 0.2850(3) -0.3168(3) 0.2119(2) 0.0387(10) Uani 1 1 d .
H30 H 0.3147 -0.3121 0.2628 0.046 Uiso 1 1 calc R
C31 C 0.2336(2) -0.2481(3) 0.1776(2) 0.0335(9) Uani 1 1 d .
C32 C -0.0322(2) 0.0638(3) 0.0400(2) 0.0318(9) Uani 1 1 d .
H32 H -0.0535 0.1064 0.0665 0.038 Uiso 1 1 calc R
C33 C 0.0255(2) 0.0041(3) 0.0794(2) 0.0324(9) Uani 1 1 d .
C34 C 0.0578(2) -0.0595(3) 0.0392(2) 0.0323(9) Uani 1 1 d .
Co1 Co 0.39402(3) 0.12105(4) 0.12721(3) 0.03613(15) Uani 1 1 d .
Gd1 Gd 0.208688(12) -0.034616(13) 0.192526(11) 0.03094(7) Uani 1 1 d .
N1 N 0.0580(2) 0.0053(2) 0.16099(19) 0.0326(8) Uani 1 1 d .
N2 N 0.11765(19) -0.1168(2) 0.08473(19) 0.0318(8) Uani 1 1 d .
O1 O 0.43732(18) -0.0683(2) 0.09264(19) 0.0484(8) Uani 1 1 d .
O2 O 0.3326(2) 0.0036(2) -0.00996(17) 0.0474(8) Uani 1 1 d .
O3 O 0.29102(17) -0.05698(19) 0.10552(17) 0.0392(7) Uani 1 1 d .
O4 O 0.49086(19) 0.0454(2) 0.27957(19) 0.0569(10) Uani 1 1 d .
O5 O 0.3969(2) 0.1614(2) 0.29611(19) 0.0569(9) Uani 1 1 d .
O6 O 0.33874(17) 0.0130(2) 0.25861(16) 0.0422(7) Uani 1 1 d .
O7 O 0.22677(18) 0.1833(2) 0.02150(18) 0.0504(8) Uani 1 1 d .
O8 O 0.26486(18) 0.2543(2) 0.14816(19) 0.0492(8) Uani 1 1 d .
O9 O 0.20559(17) 0.10149(18) 0.13601(17) 0.0390(7) Uani 1 1 d .
O10 O 0.17431(17) -0.01077(19) 0.30223(16) 0.0374(7) Uani 1 1 d .
O11 O 0.22994(17) -0.17746(18) 0.21927(16) 0.0349(6) Uani 1 1 d .
P1 P 0.35829(7) -0.00741(8) 0.08184(7) 0.0367(3) Uani 1 1 d .
P2 P 0.39951(7) 0.07947(8) 0.24363(7) 0.0396(3) Uani 1 1 d .
P3 P 0.26534(7) 0.15999(8) 0.10884(7) 0.0386(3) Uani 1 1 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'
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'
Gd Gd -0.1653 3.9035 '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 105.8(4) .
C2 C1 Co1 70.5(3) .
C5 C1 Co1 70.5(3) .
C2 C1 H1 127.0 .
C5 C1 H1 127.0 .
Co1 C1 H1 127.0 .
C3 C2 C1 107.8(5) .
C3 C2 Co1 72.4(3) .
C1 C2 Co1 69.0(3) .
C3 C2 H2 126.1 .
C1 C2 H2 126.1 .
Co1 C2 H2 126.1 .
C4 C3 C2 109.7(5) .
C4 C3 Co1 70.6(3) .
C2 C3 Co1 69.1(3) .
C4 C3 H3 125.2 .
C2 C3 H3 125.2 .
Co1 C3 H3 125.2 .
C3 C4 C5 108.8(5) .
C3 C4 Co1 71.4(3) .
C5 C4 Co1 69.4(3) .
C3 C4 H4 125.6 .
C5 C4 H4 125.6 .
Co1 C4 H4 125.6 .
C4 C5 C1 107.8(5) .
C4 C5 Co1 71.8(3) .
C1 C5 Co1 68.8(3) .
C4 C5 H5 126.1 .
C1 C5 H5 126.1 .
Co1 C5 H5 126.1 .
O1 C6 C7 109.5(4) .
O1 C6 H6A 109.8 .
C7 C6 H6A 109.8 .
O1 C6 H6B 109.8 .
C7 C6 H6B 109.8 .
H6A C6 H6B 108.2 .
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 106.4(4) .
O2 C8 H8A 110.5 .
C9 C8 H8A 110.5 .
O2 C8 H8B 110.5 .
C9 C8 H8B 110.5 .
H8A C8 H8B 108.6 .
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 .
C11 C10 O4 109.8(4) .
C11 C10 H10A 109.7 .
O4 C10 H10A 109.7 .
C11 C10 H10B 109.7 .
O4 C10 H10B 109.7 .
H10A C10 H10B 108.2 .
C10 C11 H11A 109.5 .
C10 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C10 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C13 C12 O5 111.5(5) .
C13 C12 H12A 109.3 .
O5 C12 H12A 109.3 .
C13 C12 H12B 109.3 .
O5 C12 H12B 109.3 .
H12A C12 H12B 108.0 .
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 115.0(4) .
O7 C14 H14A 108.5 .
C15 C14 H14A 108.5 .
O7 C14 H14B 108.5 .
C15 C14 H14B 108.5 .
H14A C14 H14B 107.5 .
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 107.6(4) .
O8 C16 H16A 110.2 .
C17 C16 H16A 110.2 .
O8 C16 H16B 110.2 .
C17 C16 H16B 110.2 .
H16A C16 H16B 108.5 .
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 125.9(4) .
N1 C18 H18 117.1 .
C19 C18 H18 117.1 .
C20 C19 C24 120.2(4) .
C20 C19 C18 116.1(4) .
C24 C19 C18 123.7(4) .
C21 C20 C19 120.6(4) .
C21 C20 H20 119.7 .
C19 C20 H20 119.7 .
C22 C21 C20 119.7(4) .
C22 C21 H21 120.1 .
C20 C21 H21 120.1 .
C21 C22 C23 120.4(4) .
C21 C22 H22 119.8 .
C23 C22 H22 119.8 .
C22 C23 C24 121.2(4) .
C22 C23 H23 119.4 .
C24 C23 H23 119.4 .
O10 C24 C19 123.0(4) .
O10 C24 C23 119.1(4) .
C19 C24 C23 117.9(4) .
N2 C25 C26 125.5(4) .
N2 C25 H25 117.3 .
C26 C25 H25 117.3 .
C27 C26 C31 119.5(4) .
C27 C26 C25 116.3(4) .
C31 C26 C25 124.0(4) .
C28 C27 C26 121.3(4) .
C28 C27 H27 119.3 .
C26 C27 H27 119.3 .
C27 C28 C29 119.2(4) .
C27 C28 H28 120.4 .
C29 C28 H28 120.4 .
C30 C29 C28 120.6(4) .
C30 C29 H29 119.7 .
C28 C29 H29 119.7 .
C29 C30 C31 120.8(4) .
C29 C30 H30 119.6 .
C31 C30 H30 119.6 .
O11 C31 C30 118.2(4) .
O11 C31 C26 123.2(3) .
C30 C31 C26 118.5(4) .
C34 C32 C33 119.5(4) 3
C34 C32 H32 120.3 3
C33 C32 H32 120.3 .
C32 C33 C34 120.1(4) .
C32 C33 N1 123.5(4) .
C34 C33 N1 116.3(3) .
C32 C34 C33 120.4(4) 3
C32 C34 N2 123.7(4) 3
C33 C34 N2 115.8(4) .
C1 Co1 C2 40.56(19) .
C1 Co1 C5 40.8(2) .
C2 Co1 C5 66.94(19) .
C1 Co1 C4 66.6(2) .
C2 Co1 C4 65.26(19) .
C5 Co1 C4 38.8(2) .
C1 Co1 C3 66.09(18) .
C2 Co1 C3 38.54(18) .
C5 Co1 C3 64.8(2) .
C4 Co1 C3 37.99(19) .
C1 Co1 P1 148.93(16) .
C2 Co1 P1 108.39(15) .
C5 Co1 P1 141.23(18) .
C4 Co1 P1 102.96(16) .
C3 Co1 P1 87.55(14) .
C1 Co1 P3 118.77(17) .
C2 Co1 P3 157.41(15) .
C5 Co1 P3 90.89(14) .
C4 Co1 P3 100.49(15) .
C3 Co1 P3 136.11(16) .
P1 Co1 P3 91.45(5) .
C1 Co1 P2 93.72(15) .
C2 Co1 P2 97.83(14) .
C5 Co1 P2 126.39(18) .
C4 Co1 P2 160.04(15) .
C3 Co1 P2 131.97(16) .
P1 Co1 P2 92.20(5) .
P3 Co1 P2 91.92(5) .
O10 Gd1 O11 91.83(10) .
O10 Gd1 O6 84.46(11) .
O11 Gd1 O6 96.92(10) .
O10 Gd1 O9 105.01(10) .
O11 Gd1 O9 162.86(10) .
O6 Gd1 O9 81.80(10) .
O10 Gd1 O3 160.02(10) .
O11 Gd1 O3 85.04(10) .
O6 Gd1 O3 76.37(10) .
O9 Gd1 O3 78.03(10) .
O10 Gd1 N2 122.48(11) .
O11 Gd1 N2 72.91(10) .
O6 Gd1 N2 150.69(11) .
O9 Gd1 N2 99.89(10) .
O3 Gd1 N2 75.41(10) .
O10 Gd1 N1 72.44(10) .
O11 Gd1 N1 112.46(11) .
O6 Gd1 N1 142.61(12) .
O9 Gd1 N1 76.53(10) .
O3 Gd1 N1 126.89(11) .
N2 Gd1 N1 64.27(11) .
C18 N1 C33 119.1(3) .
C18 N1 Gd1 131.2(3) .
C33 N1 Gd1 109.4(2) .
C25 N2 C34 120.6(4) .
C25 N2 Gd1 128.4(3) .
C34 N2 Gd1 109.8(3) .
C6 O1 P1 122.8(3) .
C8 O2 P1 119.7(3) .
P1 O3 Gd1 135.61(17) .
C10 O4 P2 124.5(3) .
C12 O5 P2 129.4(3) .
P2 O6 Gd1 134.82(17) .
C14 O7 P3 125.1(3) .
C16 O8 P3 117.5(3) .
P3 O9 Gd1 137.24(16) .
C24 O10 Gd1 143.3(3) .
C31 O11 Gd1 134.5(2) .
O3 P1 O1 108.65(18) .
O3 P1 O2 108.51(17) .
O1 P1 O2 100.92(18) .
O3 P1 Co1 120.72(13) .
O1 P1 Co1 110.47(13) .
O2 P1 Co1 105.70(13) .
O6 P2 O5 108.28(18) .
O6 P2 O4 108.68(18) .
O5 P2 O4 100.6(2) .
O6 P2 Co1 120.11(13) .
O5 P2 Co1 109.99(14) .
O4 P2 Co1 107.40(14) .
O9 P3 O7 108.58(17) .
O9 P3 O8 108.52(17) .
O7 P3 O8 100.83(18) .
O9 P3 Co1 119.39(12) .
O7 P3 Co1 110.87(13) .
O8 P3 Co1 107.00(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.423(7) .
C1 C5 1.430(7) .
C1 Co1 2.042(4) .
C1 H1 0.9800 .
C2 C3 1.376(6) .
C2 Co1 2.062(4) .
C2 H2 0.9800 .
C3 C4 1.367(7) .
C3 Co1 2.105(5) .
C3 H3 0.9800 .
C4 C5 1.382(7) .
C4 Co1 2.095(5) .
C4 H4 0.9800 .
C5 Co1 2.065(5) .
C5 H5 0.9800 .
C6 O1 1.465(6) .
C6 C7 1.509(7) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 O2 1.442(5) .
C8 C9 1.517(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C11 1.468(8) .
C10 O4 1.482(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C13 1.476(7) .
C12 O5 1.485(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 O7 1.415(5) .
C14 C15 1.482(7) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 O8 1.457(5) .
C16 C17 1.492(7) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 N1 1.302(5) .
C18 C19 1.451(6) .
C18 H18 0.9300 .
C19 C20 1.398(6) .
C19 C24 1.401(6) .
C20 C21 1.385(6) .
C20 H20 0.9300 .
C21 C22 1.380(6) .
C21 H21 0.9300 .
C22 C23 1.380(6) .
C22 H22 0.9300 .
C23 C24 1.409(6) .
C23 H23 0.9300 .
C24 O10 1.323(5) .
C25 N2 1.294(5) .
C25 C26 1.453(5) .
C25 H25 0.9300 .
C26 C27 1.399(6) .
C26 C31 1.404(5) .
C27 C28 1.376(6) .
C27 H27 0.9300 .
C28 C29 1.389(6) .
C28 H28 0.9300 .
C29 C30 1.383(6) .
C29 H29 0.9300 .
C30 C31 1.402(5) .
C30 H30 0.9300 .
C31 O11 1.330(5) .
C32 C34 1.385(5) 3
C32 C33 1.391(6) .
C32 H32 0.9300 .
C33 C34 1.400(6) .
C33 N1 1.435(5) .
C34 C32 1.385(5) 3
C34 N2 1.427(5) .
Co1 P1 2.1628(13) .
Co1 P3 2.1678(13) .
Co1 P2 2.1719(13) .
Gd1 O10 2.218(3) .
Gd1 O11 2.256(3) .
Gd1 O6 2.315(3) .
Gd1 O9 2.321(3) .
Gd1 O3 2.347(3) .
Gd1 N2 2.491(3) .
Gd1 N1 2.506(3) .
O1 P1 1.586(3) .
O2 P1 1.611(3) .
O3 P1 1.500(3) .
O4 P2 1.587(3) .
O5 P2 1.582(3) .
O6 P2 1.507(3) .
O7 P3 1.586(3) .
O8 P3 1.614(3) .
O9 P3 1.508(3) .
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 0.3(5) . .
Co1 C1 C2 C3 62.3(3) . .
C5 C1 C2 Co1 -62.0(3) . .
C1 C2 C3 C4 -1.1(5) . .
Co1 C2 C3 C4 59.1(3) . .
C1 C2 C3 Co1 -60.2(3) . .
C2 C3 C4 C5 1.4(5) . .
Co1 C3 C4 C5 59.6(3) . .
C2 C3 C4 Co1 -58.1(3) . .
C3 C4 C5 C1 -1.2(5) . .
Co1 C4 C5 C1 59.6(3) . .
C3 C4 C5 Co1 -60.8(3) . .
C2 C1 C5 C4 0.5(5) . .
Co1 C1 C5 C4 -61.5(3) . .
C2 C1 C5 Co1 62.0(3) . .
N1 C18 C19 C20 -178.8(4) . .
N1 C18 C19 C24 -1.0(7) . .
C24 C19 C20 C21 0.2(7) . .
C18 C19 C20 C21 178.1(4) . .
C19 C20 C21 C22 -0.5(7) . .
C20 C21 C22 C23 0.7(7) . .
C21 C22 C23 C24 -0.6(7) . .
C20 C19 C24 O10 179.6(4) . .
C18 C19 C24 O10 1.9(7) . .
C20 C19 C24 C23 0.0(6) . .
C18 C19 C24 C23 -177.8(4) . .
C22 C23 C24 O10 -179.4(4) . .
C22 C23 C24 C19 0.2(7) . .
N2 C25 C26 C27 -172.3(4) . .
N2 C25 C26 C31 11.5(6) . .
C31 C26 C27 C28 0.1(6) . .
C25 C26 C27 C28 -176.2(4) . .
C26 C27 C28 C29 1.0(7) . .
C27 C28 C29 C30 -1.1(7) . .
C28 C29 C30 C31 0.1(7) . .
C29 C30 C31 O11 -179.3(4) . .
C29 C30 C31 C26 1.1(6) . .
C27 C26 C31 O11 179.2(4) . .
C25 C26 C31 O11 -4.8(6) . .
C27 C26 C31 C30 -1.2(6) . .
C25 C26 C31 C30 174.9(4) . .
C34 C32 C33 C34 0.4(7) 3 .
C34 C32 C33 N1 177.6(4) 3 .
C32 C33 C34 C32 -0.4(7) . 3
N1 C33 C34 C32 -177.8(3) . 3
C32 C33 C34 N2 179.0(4) . .
N1 C33 C34 N2 1.5(5) . .
C5 C1 Co1 C2 115.7(4) . .
C2 C1 Co1 C5 -115.7(4) . .
C2 C1 Co1 C4 -78.7(3) . .
C5 C1 Co1 C4 37.0(3) . .
C2 C1 Co1 C3 -37.1(3) . .
C5 C1 Co1 C3 78.6(3) . .
C2 C1 Co1 P1 -2.8(5) . .
C5 C1 Co1 P1 112.9(4) . .
C2 C1 Co1 P3 -168.1(2) . .
C5 C1 Co1 P3 -52.4(3) . .
C2 C1 Co1 P2 97.7(3) . .
C5 C1 Co1 P2 -146.6(3) . .
C3 C2 Co1 C1 -117.8(4) . .
C3 C2 Co1 C5 -78.0(3) . .
C1 C2 Co1 C5 39.8(3) . .
C3 C2 Co1 C4 -35.5(3) . .
C1 C2 Co1 C4 82.3(3) . .
C1 C2 Co1 C3 117.8(4) . .
C3 C2 Co1 P1 60.7(3) . .
C1 C2 Co1 P1 178.5(3) . .
C3 C2 Co1 P3 -89.6(5) . .
C1 C2 Co1 P3 28.2(6) . .
C3 C2 Co1 P2 155.6(3) . .
C1 C2 Co1 P2 -86.6(3) . .
C4 C5 Co1 C1 118.2(4) . .
C4 C5 Co1 C2 78.7(3) . .
C1 C5 Co1 C2 -39.6(3) . .
C1 C5 Co1 C4 -118.2(4) . .
C4 C5 Co1 C3 36.3(3) . .
C1 C5 Co1 C3 -81.9(3) . .
C4 C5 Co1 P1 -12.3(4) . .
C1 C5 Co1 P1 -130.6(3) . .
C4 C5 Co1 P3 -105.7(3) . .
C1 C5 Co1 P3 136.0(3) . .
C4 C5 Co1 P2 161.2(3) . .
C1 C5 Co1 P2 43.0(3) . .
C3 C4 Co1 C1 80.6(3) . .
C5 C4 Co1 C1 -38.8(3) . .
C3 C4 Co1 C2 36.0(3) . .
C5 C4 Co1 C2 -83.4(3) . .
C3 C4 Co1 C5 119.4(5) . .
C5 C4 Co1 C3 -119.4(5) . .
C3 C4 Co1 P1 -68.5(3) . .
C5 C4 Co1 P1 172.1(3) . .
C3 C4 Co1 P3 -162.5(3) . .
C5 C4 Co1 P3 78.2(3) . .
C3 C4 Co1 P2 70.0(6) . .
C5 C4 Co1 P2 -49.4(6) . .
C4 C3 Co1 C1 -82.1(4) . .
C2 C3 Co1 C1 39.0(3) . .
C4 C3 Co1 C2 -121.1(5) . .
C4 C3 Co1 C5 -37.1(3) . .
C2 C3 Co1 C5 84.0(3) . .
C2 C3 Co1 C4 121.1(5) . .
C4 C3 Co1 P1 114.8(3) . .
C2 C3 Co1 P1 -124.1(3) . .
C4 C3 Co1 P3 25.3(4) . .
C2 C3 Co1 P3 146.4(3) . .
C4 C3 Co1 P2 -154.4(3) . .
C2 C3 Co1 P2 -33.3(4) . .
C19 C18 N1 C33 -177.9(4) . .
C19 C18 N1 Gd1 -5.4(6) . .
C32 C33 N1 C18 32.0(6) . .
C34 C33 N1 C18 -150.7(4) . .
C32 C33 N1 Gd1 -142.1(3) . .
C34 C33 N1 Gd1 35.3(4) . .
O10 Gd1 N1 C18 7.1(4) . .
O11 Gd1 N1 C18 91.7(4) . .
O6 Gd1 N1 C18 -47.4(4) . .
O9 Gd1 N1 C18 -103.7(4) . .
O3 Gd1 N1 C18 -167.2(3) . .
N2 Gd1 N1 C18 148.2(4) . .
O10 Gd1 N1 C33 -179.7(3) . .
O11 Gd1 N1 C33 -95.2(3) . .
O6 Gd1 N1 C33 125.8(3) . .
O9 Gd1 N1 C33 69.5(3) . .
O3 Gd1 N1 C33 6.0(3) . .
N2 Gd1 N1 C33 -38.7(2) . .
C26 C25 N2 C34 178.4(4) . .
C26 C25 N2 Gd1 12.3(6) . .
C32 C34 N2 C25 -27.0(6) 3 .
C33 C34 N2 C25 153.6(4) . .
C32 C34 N2 Gd1 141.4(3) 3 .
C33 C34 N2 Gd1 -38.0(4) . .
O10 Gd1 N2 C25 -107.7(3) . .
O11 Gd1 N2 C25 -26.7(3) . .
O6 Gd1 N2 C25 46.5(4) . .
O9 Gd1 N2 C25 137.3(3) . .
O3 Gd1 N2 C25 62.6(3) . .
N1 Gd1 N2 C25 -152.9(4) . .
O10 Gd1 N2 C34 85.0(3) . .
O11 Gd1 N2 C34 166.1(3) . .
O6 Gd1 N2 C34 -120.8(3) . .
O9 Gd1 N2 C34 -30.0(2) . .
O3 Gd1 N2 C34 -104.7(2) . .
N1 Gd1 N2 C34 39.8(2) . .
C7 C6 O1 P1 97.2(4) . .
C9 C8 O2 P1 168.1(3) . .
O10 Gd1 O3 P1 -57.6(5) . .
O11 Gd1 O3 P1 -139.2(3) . .
O6 Gd1 O3 P1 -40.9(3) . .
O9 Gd1 O3 P1 43.5(3) . .
N2 Gd1 O3 P1 147.2(3) . .
N1 Gd1 O3 P1 106.3(3) . .
C11 C10 O4 P2 -100.4(5) . .
C13 C12 O5 P2 79.9(6) . .
O10 Gd1 O6 P2 -129.3(3) . .
O11 Gd1 O6 P2 139.5(3) . .
O9 Gd1 O6 P2 -23.2(3) . .
O3 Gd1 O6 P2 56.4(3) . .
N2 Gd1 O6 P2 72.4(4) . .
N1 Gd1 O6 P2 -78.1(3) . .
C15 C14 O7 P3 164.4(4) . .
C17 C16 O8 P3 -174.9(3) . .
O10 Gd1 O9 P3 120.8(3) . .
O11 Gd1 O9 P3 -48.1(5) . .
O6 Gd1 O9 P3 38.8(3) . .
O3 Gd1 O9 P3 -38.9(3) . .
N2 Gd1 O9 P3 -111.6(3) . .
N1 Gd1 O9 P3 -171.9(3) . .
C19 C24 O10 Gd1 5.4(7) . .
C23 C24 O10 Gd1 -174.9(3) . .
O11 Gd1 O10 C24 -120.8(5) . .
O6 Gd1 O10 C24 142.4(5) . .
O9 Gd1 O10 C24 62.4(5) . .
O3 Gd1 O10 C24 158.7(4) . .
N2 Gd1 O10 C24 -50.0(5) . .
N1 Gd1 O10 C24 -7.8(4) . .
C30 C31 O11 Gd1 149.4(3) . .
C26 C31 O11 Gd1 -30.9(6) . .
O10 Gd1 O11 C31 160.6(3) . .
O6 Gd1 O11 C31 -114.7(3) . .
O9 Gd1 O11 C31 -30.1(6) . .
O3 Gd1 O11 C31 -39.1(3) . .
N2 Gd1 O11 C31 37.1(3) . .
N1 Gd1 O11 C31 88.9(3) . .
Gd1 O3 P1 O1 124.8(2) . .
Gd1 O3 P1 O2 -126.3(2) . .
Gd1 O3 P1 Co1 -4.2(3) . .
C6 O1 P1 O3 -20.1(4) . .
C6 O1 P1 O2 -134.0(3) . .
C6 O1 P1 Co1 114.5(3) . .
C8 O2 P1 O3 -37.6(4) . .
C8 O2 P1 O1 76.5(3) . .
C8 O2 P1 Co1 -168.4(3) . .
C1 Co1 P1 O3 147.8(3) . .
C2 Co1 P1 O3 145.9(2) . .
C5 Co1 P1 O3 -138.3(3) . .
C4 Co1 P1 O3 -146.2(2) . .
C3 Co1 P1 O3 178.9(2) . .
P3 Co1 P1 O3 -45.05(16) . .
P2 Co1 P1 O3 46.93(16) . .
C1 Co1 P1 O1 19.6(3) . .
C2 Co1 P1 O1 17.7(2) . .
C5 Co1 P1 O1 93.5(3) . .
C4 Co1 P1 O1 85.6(2) . .
C3 Co1 P1 O1 50.6(2) . .
P3 Co1 P1 O1 -173.28(14) . .
P2 Co1 P1 O1 -81.30(14) . .
C1 Co1 P1 O2 -88.7(3) . .
C2 Co1 P1 O2 -90.67(19) . .
C5 Co1 P1 O2 -14.9(3) . .
C4 Co1 P1 O2 -22.8(2) . .
C3 Co1 P1 O2 -57.7(2) . .
P3 Co1 P1 O2 78.36(13) . .
P2 Co1 P1 O2 170.34(13) . .
Gd1 O6 P2 O5 105.3(3) . .
Gd1 O6 P2 O4 -146.3(2) . .
Gd1 O6 P2 Co1 -22.1(3) . .
C12 O5 P2 O6 -18.4(5) . .
C12 O5 P2 O4 -132.3(4) . .
C12 O5 P2 Co1 114.7(4) . .
C10 O4 P2 O6 -10.3(4) . .
C10 O4 P2 O5 103.3(4) . .
C10 O4 P2 Co1 -141.6(4) . .
C1 Co1 P2 O6 175.0(2) . .
C2 Co1 P2 O6 -144.4(2) . .
C5 Co1 P2 O6 148.6(2) . .
C4 Co1 P2 O6 -175.2(5) . .
C3 Co1 P2 O6 -124.2(2) . .
P1 Co1 P2 O6 -35.48(17) . .
P3 Co1 P2 O6 56.04(16) . .
C1 Co1 P2 O5 48.4(2) . .
C2 Co1 P2 O5 89.0(2) . .
C5 Co1 P2 O5 21.9(2) . .
C4 Co1 P2 O5 58.1(5) . .
C3 Co1 P2 O5 109.2(2) . .
P1 Co1 P2 O5 -162.13(14) . .
P3 Co1 P2 O5 -70.61(14) . .
C1 Co1 P2 O4 -60.2(2) . .
C2 Co1 P2 O4 -19.7(2) . .
C5 Co1 P2 O4 -86.7(2) . .
C4 Co1 P2 O4 -50.5(5) . .
C3 Co1 P2 O4 0.6(2) . .
P1 Co1 P2 O4 89.25(15) . .
P3 Co1 P2 O4 -179.23(15) . .
Gd1 O9 P3 O7 124.5(3) . .
Gd1 O9 P3 O8 -126.8(2) . .
Gd1 O9 P3 Co1 -3.9(3) . .
C14 O7 P3 O9 -6.8(4) . .
C14 O7 P3 O8 -120.7(4) . .
C14 O7 P3 Co1 126.2(4) . .
C16 O8 P3 O9 -43.7(4) . .
C16 O8 P3 O7 70.3(3) . .
C16 O8 P3 Co1 -173.8(3) . .
C1 Co1 P3 O9 -138.9(2) . .
C2 Co1 P3 O9 -159.4(4) . .
C5 Co1 P3 O9 -170.0(2) . .
C4 Co1 P3 O9 152.1(2) . .
C3 Co1 P3 O9 136.6(2) . .
P1 Co1 P3 O9 48.66(15) . .
P2 Co1 P3 O9 -43.59(16) . .
C1 Co1 P3 O7 93.8(2) . .
C2 Co1 P3 O7 73.3(4) . .
C5 Co1 P3 O7 62.6(2) . .
C4 Co1 P3 O7 24.8(2) . .
C3 Co1 P3 O7 9.3(2) . .
P1 Co1 P3 O7 -78.66(14) . .
P2 Co1 P3 O7 -170.90(14) . .
C1 Co1 P3 O8 -15.3(2) . .
C2 Co1 P3 O8 -35.8(4) . .
C5 Co1 P3 O8 -46.4(2) . .
C4 Co1 P3 O8 -84.3(2) . .
C3 Co1 P3 O8 -99.8(2) . .
P1 Co1 P3 O8 172.27(13) . .
P2 Co1 P3 O8 80.02(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 0.836 0.197 0.635 151 33 ' '
2 0.836 0.303 0.135 151 33 ' '
3 0.164 0.697 0.865 151 33 ' '
4 0.164 0.803 0.365 150 33 ' '
