#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/69/7036945.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_7036945
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 Ho2 N4 O22 P6'
_chemical_formula_weight         1951.00
_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                 103.9620(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.5198(15)
_cell_length_b                   15.0667(14)
_cell_length_c                   17.9808(16)
_cell_measurement_reflns_used    9030
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.22
_cell_measurement_theta_min      2.33
_cell_volume                     4343.2(7)
_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  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31623
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    2.354
_exptl_absorpt_correction_T_max  0.6255
_exptl_absorpt_correction_T_min  0.5690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1964
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_platon_squeeze_details
;
;
_refine_diff_density_max         0.923
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         7612
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0331
_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)+(0.0000P)²+12.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0692
_reflns_number_gt                6300
_reflns_number_total             7612
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03580e2.cif
_cod_data_source_block           3
_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               7036945
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 -0.0197(4) 0.8604(5) 0.3595(5) 0.034(3) Uani 0.655(15) 1 d PGU A 1
H1A H -0.0640 0.8938 0.3246 0.041 Uiso 0.655(15) 1 calc PR A 1
C2 C 0.0158(4) 0.8810(5) 0.4371(4) 0.027(2) Uani 0.655(15) 1 d PGU A 1
H2A H 0.0013 0.9319 0.4653 0.032 Uiso 0.655(15) 1 calc PR A 1
C3 C 0.0761(4) 0.8156(5) 0.4670(4) 0.027(2) Uani 0.655(15) 1 d PGU A 1
H3A H 0.1105 0.8129 0.5196 0.033 Uiso 0.655(15) 1 calc PR A 1
C4 C 0.0778(4) 0.7545(4) 0.4078(5) 0.036(3) Uani 0.655(15) 1 d PGU A 1
H4A H 0.1127 0.7012 0.4125 0.043 Uiso 0.655(15) 1 calc PR A 1
C5 C 0.0186(5) 0.7822(5) 0.3414(4) 0.031(2) Uani 0.655(15) 1 d PGU A 1
H5A H 0.0048 0.7513 0.2920 0.038 Uiso 0.655(15) 1 calc PR A 1
C6 C 0.2116(3) 1.0680(4) 0.5574(3) 0.0416(14) Uani 1 1 d . . .
H6A H 0.1719 1.1155 0.5574 0.050 Uiso 1 1 calc R B 1
H6B H 0.2574 1.0911 0.5382 0.050 Uiso 1 1 calc R B 1
C7 C 0.2425(4) 1.0316(5) 0.6357(3) 0.067(2) Uani 1 1 d . . .
H7A H 0.1966 1.0078 0.6534 0.101 Uiso 1 1 calc R . .
H7B H 0.2687 1.0781 0.6696 0.101 Uiso 1 1 calc R . .
H7C H 0.2823 0.9855 0.6349 0.101 Uiso 1 1 calc R . .
C8 C 0.0516(3) 1.1492(4) 0.3582(3) 0.0491(16) Uani 1 1 d . A .
H8A H -0.0065 1.1542 0.3309 0.059 Uiso 1 1 calc R . .
H8B H 0.0849 1.1443 0.3207 0.059 Uiso 1 1 calc R . .
C9 C 0.0771(3) 1.2291(4) 0.4062(4) 0.0461(15) Uani 1 1 d . . .
H9A H 0.0481 1.2304 0.4465 0.069 Uiso 1 1 calc R . .
H9B H 0.0634 1.2814 0.3751 0.069 Uiso 1 1 calc R . .
H9C H 0.1361 1.2274 0.4280 0.069 Uiso 1 1 calc R . .
C10 C 0.3495(4) 0.8472(5) 0.5246(4) 0.0632(18) Uani 1 1 d U A .
H10A H 0.3439 0.9106 0.5315 0.076 Uiso 1 1 calc R . .
H10B H 0.3919 0.8392 0.4960 0.076 Uiso 1 1 calc R . .
C11 C 0.3801(5) 0.8087(5) 0.5985(4) 0.088(2) Uani 1 1 d U . .
H11A H 0.3343 0.7972 0.6213 0.132 Uiso 1 1 calc R . .
H11B H 0.4184 0.8490 0.6303 0.132 Uiso 1 1 calc R . .
H11C H 0.4082 0.7541 0.5935 0.132 Uiso 1 1 calc R . .
C12 C 0.3175(4) 0.7093(5) 0.3475(5) 0.068(2) Uani 1 1 d . A .
H12A H 0.3543 0.7046 0.3983 0.082 Uiso 1 1 calc R . .
H12B H 0.3434 0.7489 0.3175 0.082 Uiso 1 1 calc R . .
C13 C 0.3069(5) 0.6226(5) 0.3120(5) 0.082(2) Uani 1 1 d . . .
H13A H 0.2735 0.5863 0.3368 0.123 Uiso 1 1 calc R . .
H13B H 0.3605 0.5955 0.3170 0.123 Uiso 1 1 calc R . .
H13C H 0.2797 0.6287 0.2587 0.123 Uiso 1 1 calc R . .
C14 C 0.1620(5) 0.8166(5) 0.1650(4) 0.073 Uani 1 1 d . . .
H14A H 0.2154 0.8227 0.2017 0.088 Uiso 1 1 calc R . .
H14B H 0.1545 0.7538 0.1537 0.088 Uiso 1 1 calc R . .
C15 C 0.1703(5) 0.8562(5) 0.0997(4) 0.073 Uani 1 1 d . . .
H15A H 0.1203 0.8476 0.0602 0.109 Uiso 1 1 calc R . .
H15B H 0.2167 0.8305 0.0840 0.109 Uiso 1 1 calc R . .
H15C H 0.1799 0.9186 0.1086 0.109 Uiso 1 1 calc R . .
C16 C -0.0073(3) 1.0308(5) 0.1721(3) 0.055 Uani 1 1 d . . .
H16A H 0.0405 1.0700 0.1795 0.066 Uiso 1 1 calc R . .
H16B H -0.0529 1.0645 0.1835 0.066 Uiso 1 1 calc R . .
C17 C -0.0300(5) 1.0055(5) 0.0949(4) 0.074(2) Uani 1 1 d . . .
H17A H 0.0160 0.9756 0.0817 0.111 Uiso 1 1 calc R . .
H17B H -0.0444 1.0572 0.0633 0.111 Uiso 1 1 calc R . .
H17C H -0.0771 0.9662 0.0867 0.111 Uiso 1 1 calc R . .
C18 C 0.3705(3) 1.1970(3) 0.4396(3) 0.0212(10) Uani 1 1 d . . .
H18 H 0.4036 1.2142 0.4869 0.025 Uiso 1 1 calc R . .
C19 C 0.3107(2) 1.2601(3) 0.3989(2) 0.0196(10) Uani 1 1 d . . .
C20 C 0.3006(3) 1.3384(3) 0.4380(3) 0.0252(11) Uani 1 1 d . . .
H20 H 0.3303 1.3451 0.4887 0.030 Uiso 1 1 calc R . .
C21 C 0.2486(3) 1.4055(3) 0.4039(3) 0.0302(11) Uani 1 1 d . . .
H21 H 0.2427 1.4567 0.4311 0.036 Uiso 1 1 calc R . .
C22 C 0.2051(3) 1.3954(3) 0.3281(3) 0.0324(12) Uani 1 1 d . . .
H22 H 0.1697 1.4404 0.3042 0.039 Uiso 1 1 calc R . .
C23 C 0.2134(3) 1.3203(3) 0.2879(3) 0.0276(11) Uani 1 1 d . . .
H23 H 0.1840 1.3155 0.2370 0.033 Uiso 1 1 calc R . .
C24 C 0.2654(3) 1.2501(3) 0.3219(2) 0.0208(10) Uani 1 1 d . A .
C25 C 0.4883(3) 0.9666(3) 0.2956(2) 0.0227(10) Uani 1 1 d . . .
H25 H 0.5424 0.9493 0.3195 0.027 Uiso 1 1 calc R . .
C26 C 0.4646(3) 0.9596(3) 0.2144(2) 0.0239(10) Uani 1 1 d . . .
C27 C 0.5236(3) 0.9283(4) 0.1762(3) 0.0339(12) Uani 1 1 d . . .
H27 H 0.5759 0.9114 0.2051 0.041 Uiso 1 1 calc R . .
C28 C 0.5073(3) 0.9217(4) 0.0984(3) 0.0428(14) Uani 1 1 d . . .
H28 H 0.5478 0.9005 0.0749 0.051 Uiso 1 1 calc R . .
C29 C 0.4300(3) 0.9470(4) 0.0548(3) 0.0394(14) Uani 1 1 d . . .
H29 H 0.4186 0.9432 0.0016 0.047 Uiso 1 1 calc R . .
C30 C 0.3693(3) 0.9780(3) 0.0898(3) 0.0295(11) Uani 1 1 d . . .
H30 H 0.3176 0.9945 0.0595 0.035 Uiso 1 1 calc R . .
C31 C 0.3841(3) 0.9850(3) 0.1695(3) 0.0225(10) Uani 1 1 d . A .
C32 C 0.4747(2) 0.9959(3) 0.4204(2) 0.0180(9) Uani 1 1 d . . .
C33 C 0.4422(2) 1.0606(3) 0.4609(2) 0.0183(10) Uani 1 1 d . . .
C34 C 0.4681(2) 1.0646(3) 0.5403(2) 0.0192(10) Uani 1 1 d . . .
H34 H 0.4468 1.1081 0.5669 0.023 Uiso 1 1 calc R . .
Co1 Co 0.10818(4) 0.87904(4) 0.37390(4) 0.02438(15) Uani 1 1 d . . .
Ho1 Ho 0.293398(11) 1.036276(14) 0.309562(11) 0.01678(6) Uani 1 1 d . A .
N1 N 0.3817(2) 1.1183(2) 0.41573(19) 0.0184(8) Uani 1 1 d . . .
N2 N 0.4421(2) 0.9946(2) 0.3398(2) 0.0194(8) Uani 1 1 d . . .
O1 O 0.1722(3) 0.9956(4) 0.5111(3) 0.0317(13) Uani 0.80 1 d PU A 1
O2 O 0.0633(2) 1.0711(3) 0.4065(3) 0.0577(12) Uani 1 1 d . . .
O3 O 0.21041(18) 1.0604(2) 0.39411(18) 0.0277(8) Uani 1 1 d . . .
O4 O 0.2752(2) 0.8167(3) 0.4800(2) 0.0586(13) Uani 1 1 d . . .
O5 O 0.2400(2) 0.7453(2) 0.3532(3) 0.0563(12) Uani 1 1 d . . .
O6 O 0.29763(18) 0.9009(2) 0.36638(19) 0.0277(8) Uani 1 1 d . . .
O7 O 0.1018(3) 0.8403(3) 0.2032(3) 0.0760(16) Uani 1 1 d . . .
O8 O 0.0124(2) 0.9611(4) 0.2245(2) 0.072 Uani 1 1 d . . .
O9 O 0.16612(19) 0.9873(2) 0.24357(18) 0.0328(8) Uani 1 1 d . . .
O10 O 0.27103(18) 1.1787(2) 0.28128(17) 0.0229(7) Uani 1 1 d . . .
O11 O 0.32555(18) 1.0139(2) 0.20000(17) 0.0263(8) Uani 1 1 d . . .
P1 P 0.14287(7) 1.01022(9) 0.41821(7) 0.0275(3) Uani 1 1 d . A .
P2 P 0.23738(7) 0.84054(9) 0.39272(8) 0.0303(3) Uani 1 1 d . A .
P3 P 0.10348(8) 0.92198(10) 0.25822(7) 0.0318(3) Uani 1 1 d . A .
C1' C 0.0544(9) 0.7510(8) 0.3584(10) 0.029(5) Uani 0.345(15) 1 d PGU A 2
H1'A H 0.0734 0.7012 0.3318 0.034 Uiso 0.345(15) 1 calc PR A 2
C2' C -0.0056(8) 0.8144(10) 0.3249(8) 0.027(4) Uani 0.345(15) 1 d PGU A 2
H2'A H -0.0359 0.8167 0.2709 0.033 Uiso 0.345(15) 1 calc PR A 2
C4' C -0.0132(9) 0.8751(9) 0.3820(10) 0.034(5) Uani 0.345(15) 1 d PGU A 2
H4'A H -0.0517 0.9256 0.3755 0.041 Uiso 0.345(15) 1 calc PR A 2
C3' C 0.0420(10) 0.8492(11) 0.4508(8) 0.036(5) Uani 0.345(15) 1 d PGU A 2
H3'A H 0.0477 0.8775 0.5009 0.043 Uiso 0.345(15) 1 calc PR A 2
C5' C 0.0838(8) 0.7725(11) 0.4362(9) 0.037(5) Uani 0.345(15) 1 d PGU A 2
H5'A H 0.1251 0.7388 0.4740 0.045 Uiso 0.345(15) 1 calc PR A 2
O1' O 0.1402(11) 1.0304(12) 0.4988(11) 0.024(4) Uani 0.20 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'
Ho Ho -0.2175 4.6783 '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 108.0 .
C2 C1 Co1 71.4(2) .
C5 C1 Co1 69.1(2) .
C2 C1 H1A 126.0 .
C5 C1 H1A 126.0 .
Co1 C1 H1A 126.0 .
C3 C2 C1 108.0 .
C3 C2 Co1 70.1(2) .
C1 C2 Co1 69.3(2) .
C3 C2 H2A 126.0 .
C1 C2 H2A 126.0 .
Co1 C2 H2A 126.0 .
C2 C3 C4 108.0 .
C2 C3 Co1 70.7(2) .
C4 C3 Co1 69.0(2) .
C2 C3 H3A 126.0 .
C4 C3 H3A 126.0 .
Co1 C3 H3A 126.0 .
C3 C4 C5 108.0 .
C3 C4 Co1 71.5(2) .
C5 C4 Co1 69.6(2) .
C3 C4 H4A 126.0 .
C5 C4 H4A 126.0 .
Co1 C4 H4A 126.0 .
C4 C5 C1 108.0 .
C4 C5 Co1 70.5(2) .
C1 C5 Co1 71.0(2) .
C4 C5 H5A 126.0 .
C1 C5 H5A 126.0 .
Co1 C5 H5A 126.0 .
O1 C6 O1' 29.2(6) .
O1 C6 C7 106.0(5) .
O1' C6 C7 124.3(9) .
O1 C6 H6A 110.5 .
O1' C6 H6A 82.1 .
C7 C6 H6A 110.5 .
O1 C6 H6B 110.5 .
O1' C6 H6B 115.9 .
C7 C6 H6B 110.5 .
H6A C6 H6B 108.7 .
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 109.5(5) .
O2 C8 H8A 109.8 .
C9 C8 H8A 109.8 .
O2 C8 H8B 109.8 .
C9 C8 H8B 109.8 .
H8A C8 H8B 108.2 .
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 C11 118.3(6) .
O4 C10 H10A 107.7 .
C11 C10 H10A 107.7 .
O4 C10 H10B 107.7 .
C11 C10 H10B 107.7 .
H10A C10 H10B 107.1 .
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 .
O5 C12 C13 111.2(6) .
O5 C12 H12A 109.4 .
C13 C12 H12A 109.4 .
O5 C12 H12B 109.4 .
C13 C12 H12B 109.4 .
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 .
C15 C14 O7 123.5(7) .
C15 C14 H14A 106.4 .
O7 C14 H14A 106.4 .
C15 C14 H14B 106.4 .
O7 C14 H14B 106.4 .
H14A C14 H14B 106.5 .
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 115.3(6) .
O8 C16 H16A 108.5 .
C17 C16 H16A 108.5 .
O8 C16 H16B 108.5 .
C17 C16 H16B 108.5 .
H16A C16 H16B 107.5 .
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 125.1(4) .
N1 C18 H18 117.4 .
C19 C18 H18 117.4 .
C20 C19 C24 118.8(4) .
C20 C19 C18 116.8(4) .
C24 C19 C18 124.3(4) .
C21 C20 C19 122.3(4) .
C21 C20 H20 118.9 .
C19 C20 H20 118.9 .
C20 C21 C22 118.5(5) .
C20 C21 H21 120.7 .
C22 C21 H21 120.7 .
C23 C22 C21 121.1(4) .
C23 C22 H22 119.5 .
C21 C22 H22 119.5 .
C22 C23 C24 121.4(4) .
C22 C23 H23 119.3 .
C24 C23 H23 119.3 .
O10 C24 C23 119.4(4) .
O10 C24 C19 122.6(4) .
C23 C24 C19 118.0(4) .
N2 C25 C26 126.5(4) .
N2 C25 H25 116.7 .
C26 C25 H25 116.7 .
C27 C26 C25 118.3(4) .
C27 C26 C31 118.4(4) .
C25 C26 C31 123.2(4) .
C28 C27 C26 122.5(5) .
C28 C27 H27 118.7 .
C26 C27 H27 118.7 .
C27 C28 C29 119.3(5) .
C27 C28 H28 120.3 .
C29 C28 H28 120.3 .
C28 C29 C30 120.3(5) .
C28 C29 H29 119.8 .
C30 C29 H29 119.8 .
C29 C30 C31 121.6(4) .
C29 C30 H30 119.2 .
C31 C30 H30 119.2 .
O11 C31 C30 119.7(4) .
O11 C31 C26 122.5(4) .
C30 C31 C26 117.8(4) .
C34 C32 C33 119.6(4) 3_676
C34 C32 N2 124.1(4) 3_676
C33 C32 N2 116.2(4) .
C34 C33 C32 120.2(4) .
C34 C33 N1 124.0(4) .
C32 C33 N1 115.7(4) .
C32 C34 C33 120.1(4) 3_676
C32 C34 H34 119.9 3_676
C33 C34 H34 119.9 .
C3' Co1 C5' 40.4(3) .
C3' Co1 C4' 40.5(3) .
C5' Co1 C4' 67.3(5) .
C3' Co1 C5 64.2(4) .
C5' Co1 C5 51.6(4) .
C4' Co1 C5 49.5(4) .
C3' Co1 C4 52.0(4) .
C5' Co1 C4 15.7(4) .
C4' Co1 C4 69.0(4) .
C5 Co1 C4 39.97(16) .
C3' Co1 C1 49.6(4) .
C5' Co1 C1 68.6(4) .
C4' Co1 C1 12.5(4) .
C5 Co1 C1 39.83(16) .
C4 Co1 C1 66.7(3) .
C3' Co1 C3 21.2(4) .
C5' Co1 C3 24.5(4) .
C4' Co1 C3 59.4(4) .
C5 Co1 C3 66.5(3) .
C4 Co1 C3 39.52(16) .
C1 Co1 C3 66.1(3) .
C3' Co1 C1' 66.8(5) .
C5' Co1 C1' 39.3(3) .
C4' Co1 C1' 66.1(5) .
C5 Co1 C1' 20.9(3) .
C4 Co1 C1' 24.3(3) .
C1 Co1 C1' 58.6(3) .
C3 Co1 C1' 60.7(3) .
C3' Co1 C2 18.0(4) .
C5' Co1 C2 56.9(4) .
C4' Co1 C2 27.6(4) .
C5 Co1 C2 66.4(3) .
C4 Co1 C2 66.2(3) .
C1 Co1 C2 39.31(16) .
C3 Co1 C2 39.13(15) .
C1' Co1 C2 75.4(3) .
C3' Co1 C2' 66.8(5) .
C5' Co1 C2' 66.1(5) .
C4' Co1 C2' 39.4(3) .
C5 Co1 C2' 17.9(3) .
C4 Co1 C2' 56.7(3) .
C1 Co1 C2' 27.4(4) .
C3 Co1 C2' 75.6(3) .
C1' Co1 C2' 38.8(3) .
C2 Co1 C2' 62.9(4) .
C3' Co1 P1 95.2(4) .
C5' Co1 P1 125.8(5) .
C4' Co1 P1 100.2(4) .
C5 Co1 P1 149.6(2) .
C4 Co1 P1 141.5(3) .
C1 Co1 P1 109.9(2) .
C3 Co1 P1 102.6(2) .
C1' Co1 P1 162.0(4) .
C2 Co1 P1 87.15(19) .
C2' Co1 P1 135.0(4) .
C3' Co1 P2 120.9(5) .
C5' Co1 P2 91.2(4) .
C4' Co1 P2 158.5(4) .
C5 Co1 P2 118.0(3) .
C4 Co1 P2 90.7(2) .
C1 Co1 P2 156.6(2) .
C3 Co1 P2 100.5(2) .
C1' Co1 P2 98.3(4) .
C2 Co1 P2 137.3(2) .
C2' Co1 P2 133.5(4) .
P1 Co1 P2 91.36(5) .
O11 Ho1 O10 90.35(11) .
O11 Ho1 O6 106.16(12) .
O10 Ho1 O6 163.11(11) .
O11 Ho1 O9 82.80(11) .
O10 Ho1 O9 96.48(12) .
O6 Ho1 O9 82.38(11) .
O11 Ho1 O3 158.37(11) .
O10 Ho1 O3 84.62(11) .
O6 Ho1 O3 78.70(11) .
O9 Ho1 O3 76.90(11) .
O11 Ho1 N1 123.60(11) .
O10 Ho1 N1 73.99(11) .
O6 Ho1 N1 98.91(12) .
O9 Ho1 N1 151.13(12) .
O3 Ho1 N1 75.12(11) .
O11 Ho1 N2 73.38(11) .
O10 Ho1 N2 113.53(11) .
O6 Ho1 N2 75.61(11) .
O9 Ho1 N2 141.17(12) .
O3 Ho1 N2 127.81(11) .
N1 Ho1 N2 65.19(12) .
C18 N1 C33 120.7(4) .
C18 N1 Ho1 128.2(3) .
C33 N1 Ho1 110.0(3) .
C25 N2 C32 119.6(4) .
C25 N2 Ho1 130.5(3) .
C32 N2 Ho1 109.6(2) .
C6 O1 P1 118.2(4) .
C8 O2 P1 122.7(3) .
P1 O3 Ho1 135.60(18) .
C10 O4 P2 125.9(4) .
C12 O5 P2 119.6(4) .
P2 O6 Ho1 137.01(17) .
C14 O7 P3 127.3(4) .
C16 O8 P3 125.4(4) .
P3 O9 Ho1 135.51(19) .
C24 O10 Ho1 133.9(3) .
C31 O11 Ho1 143.2(3) .
O3 P1 O1' 112.2(7) .
O3 P1 O2 108.9(2) .
O1' P1 O2 78.0(7) .
O3 P1 O1 107.8(2) .
O1' P1 O1 26.8(6) .
O2 P1 O1 104.3(3) .
O3 P1 Co1 120.42(14) .
O1' P1 Co1 118.6(7) .
O2 P1 Co1 110.22(16) .
O1 P1 Co1 103.9(2) .
O6 P2 O4 108.40(19) .
O6 P2 O5 108.1(2) .
O4 P2 O5 100.9(3) .
O6 P2 Co1 119.46(13) .
O4 P2 Co1 110.83(16) .
O5 P2 Co1 107.55(15) .
O9 P3 O7 108.2(2) .
O9 P3 O8 108.6(2) .
O7 P3 O8 100.3(3) .
O9 P3 Co1 120.02(14) .
O7 P3 Co1 111.2(2) .
O8 P3 Co1 106.73(16) .
C2' C1' C5' 108.0 .
C2' C1' Co1 70.5(5) .
C5' C1' Co1 68.0(5) .
C2' C1' H1'A 126.0 .
C5' C1' H1'A 126.0 .
Co1 C1' H1'A 126.0 .
C1' C2' C4' 108.0 .
C1' C2' Co1 70.7(5) .
C4' C2' Co1 67.8(5) .
C1' C2' H2'A 126.0 .
C4' C2' H2'A 126.0 .
Co1 C2' H2'A 126.0 .
C3' C4' C2' 108.0 .
C3' C4' Co1 68.4(5) .
C2' C4' Co1 72.8(5) .
C3' C4' H4'A 126.0 .
C2' C4' H4'A 126.0 .
Co1 C4' H4'A 126.0 .
C4' C3' C5' 108.0 .
C4' C3' Co1 71.2(5) .
C5' C3' Co1 71.5(5) .
C4' C3' H3'A 125.9 .
C5' C3' H3'A 125.9 .
Co1 C3' H3'A 125.9 .
C3' C5' C1' 108.0 .
C3' C5' Co1 68.1(5) .
C1' C5' Co1 72.7(5) .
C3' C5' H5'A 126.0 .
C1' C5' H5'A 126.0 .
Co1 C5' H5'A 126.0 .
C6 O1' P1 124.1(13) .
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(6) .
C1 C5 1.412(6) .
C1 Co1 2.085(7) .
C1 H1A 0.9800 .
C2 C3 1.412(6) .
C2 Co1 2.112(6) .
C2 H2A 0.9800 .
C3 C4 1.412(6) .
C3 Co1 2.103(6) .
C3 H3A 0.9800 .
C4 C5 1.412(6) .
C4 Co1 2.072(7) .
C4 H4A 0.9800 .
C5 Co1 2.060(7) .
C5 H5A 0.9800 .
C6 O1 1.429(7) .
C6 O1' 1.491(18) .
C6 C7 1.482(8) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 O2 1.447(7) .
C8 C9 1.482(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 O4 1.374(7) .
C10 C11 1.425(9) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 O5 1.418(7) .
C12 C13 1.445(9) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C15 1.352(9) .
C14 O7 1.386(8) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 O8 1.396(7) .
C16 C17 1.401(8) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 N1 1.289(6) .
C18 C19 1.437(6) .
C18 H18 0.9300 .
C19 C20 1.404(6) .
C19 C24 1.414(6) .
C20 C21 1.372(6) .
C20 H20 0.9300 .
C21 C22 1.389(7) .
C21 H21 0.9300 .
C22 C23 1.367(7) .
C22 H22 0.9300 .
C23 C24 1.406(6) .
C23 H23 0.9300 .
C24 O10 1.316(5) .
C25 N2 1.299(5) .
C25 C26 1.422(6) .
C25 H25 0.9300 .
C26 C27 1.403(6) .
C26 C31 1.431(6) .
C27 C28 1.363(7) .
C27 H27 0.9300 .
C28 C29 1.382(7) .
C28 H28 0.9300 .
C29 C30 1.387(7) .
C29 H29 0.9300 .
C30 C31 1.399(6) .
C30 H30 0.9300 .
C31 O11 1.296(5) .
C32 C34 1.379(6) 3_676
C32 C33 1.399(6) .
C32 N2 1.418(5) .
C33 C34 1.389(6) .
C33 N1 1.422(5) .
C34 C32 1.379(6) 3_676
C34 H34 0.9300 .
Co1 C3' 2.010(15) .
Co1 C5' 2.053(14) .
Co1 C4' 2.047(15) .
Co1 C1' 2.115(13) .
Co1 C2' 2.111(12) .
Co1 P1 2.1563(15) .
Co1 P2 2.1584(14) .
Ho1 O11 2.187(3) .
Ho1 O10 2.216(3) .
Ho1 O6 2.275(3) .
Ho1 O9 2.274(3) .
Ho1 O3 2.308(3) .
Ho1 N1 2.441(3) .
Ho1 N2 2.465(3) .
O1 P1 1.638(5) .
O2 P1 1.575(4) .
O3 P1 1.496(3) .
O4 P2 1.584(4) .
O5 P2 1.606(4) .
O6 P2 1.507(3) .
O7 P3 1.576(4) .
O8 P3 1.594(4) .
O9 P3 1.496(3) .
P1 O1' 1.49(2) .
C1' C2' 1.403(12) .
C1' C5' 1.404(12) .
C1' H1'A 0.9800 .
C2' C4' 1.403(12) .
C2' H2'A 0.9800 .
C4' C3' 1.403(12) .
C4' H4'A 0.9800 .
C3' C5' 1.404(12) .
C3' H3'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 0.0 . .
Co1 C1 C2 C3 -59.7(2) . .
C5 C1 C2 Co1 59.7(2) . .
C1 C2 C3 C4 0.0 . .
Co1 C2 C3 C4 -59.2(2) . .
C1 C2 C3 Co1 59.2(2) . .
C2 C3 C4 C5 0.0 . .
Co1 C3 C4 C5 -60.3(3) . .
C2 C3 C4 Co1 60.3(3) . .
C3 C4 C5 C1 0.0 . .
Co1 C4 C5 C1 -61.5(2) . .
C3 C4 C5 Co1 61.5(2) . .
C2 C1 C5 C4 0.0 . .
Co1 C1 C5 C4 61.1(2) . .
C2 C1 C5 Co1 -61.1(2) . .
N1 C18 C19 C20 172.7(4) . .
N1 C18 C19 C24 -10.7(7) . .
C24 C19 C20 C21 -0.2(7) . .
C18 C19 C20 C21 176.7(4) . .
C19 C20 C21 C22 -0.5(7) . .
C20 C21 C22 C23 0.2(8) . .
C21 C22 C23 C24 0.8(8) . .
C22 C23 C24 O10 179.5(4) . .
C22 C23 C24 C19 -1.3(7) . .
C20 C19 C24 O10 -179.8(4) . .
C18 C19 C24 O10 3.6(7) . .
C20 C19 C24 C23 1.0(6) . .
C18 C19 C24 C23 -175.5(4) . .
N2 C25 C26 C27 179.5(5) . .
N2 C25 C26 C31 1.1(8) . .
C25 C26 C27 C28 -178.1(5) . .
C31 C26 C27 C28 0.4(8) . .
C26 C27 C28 C29 0.3(9) . .
C27 C28 C29 C30 -0.6(9) . .
C28 C29 C30 C31 0.2(8) . .
C29 C30 C31 O11 -179.6(5) . .
C29 C30 C31 C26 0.4(7) . .
C27 C26 C31 O11 179.3(4) . .
C25 C26 C31 O11 -2.2(7) . .
C27 C26 C31 C30 -0.7(7) . .
C25 C26 C31 C30 177.7(4) . .
C34 C32 C33 C34 0.7(7) 3_676 .
N2 C32 C33 C34 177.5(4) . .
C34 C32 C33 N1 -178.1(4) 3_676 .
N2 C32 C33 N1 -1.4(5) . .
C32 C33 C34 C32 -0.7(7) . 3_676
N1 C33 C34 C32 178.0(4) . 3_676
C4 C5 Co1 C3' -60.8(5) . .
C1 C5 Co1 C3' 57.1(5) . .
C4 C5 Co1 C5' -14.9(6) . .
C1 C5 Co1 C5' 103.0(5) . .
C4 C5 Co1 C4' -106.6(6) . .
C1 C5 Co1 C4' 11.3(6) . .
C1 C5 Co1 C4 117.93(13) . .
C4 C5 Co1 C1 -117.93(13) . .
C4 C5 Co1 C3 -37.68(10) . .
C1 C5 Co1 C3 80.26(16) . .
C4 C5 Co1 C1' 31.4(13) . .
C1 C5 Co1 C1' 149.3(12) . .
C4 C5 Co1 C2 -80.53(15) . .
C1 C5 Co1 C2 37.41(10) . .
C4 C5 Co1 C2' -155.2(15) . .
C1 C5 Co1 C2' -37.3(15) . .
C4 C5 Co1 P1 -112.1(7) . .
C1 C5 Co1 P1 5.9(6) . .
C4 C5 Co1 P2 52.0(3) . .
C1 C5 Co1 P2 170.0(3) . .
C3 C4 Co1 C3' -24.1(6) . .
C5 C4 Co1 C3' 94.1(6) . .
C3 C4 Co1 C5' 13.7(17) . .
C5 C4 Co1 C5' 131.9(17) . .
C3 C4 Co1 C4' -66.9(4) . .
C5 C4 Co1 C4' 51.3(4) . .
C3 C4 Co1 C5 -118.21(15) . .
C3 C4 Co1 C1 -80.17(15) . .
C5 C4 Co1 C1 38.04(10) . .
C5 C4 Co1 C3 118.21(15) . .
C3 C4 Co1 C1' -145.1(10) . .
C5 C4 Co1 C1' -26.9(11) . .
C3 C4 Co1 C2 -37.12(9) . .
C5 C4 Co1 C2 81.10(17) . .
C3 C4 Co1 C2' -109.3(5) . .
C5 C4 Co1 C2' 8.9(5) . .
C3 C4 Co1 P1 12.9(5) . .
C5 C4 Co1 P1 131.1(5) . .
C3 C4 Co1 P2 105.9(3) . .
C5 C4 Co1 P2 -135.9(4) . .
C2 C1 Co1 C3' 21.3(6) . .
C5 C1 Co1 C3' -97.3(6) . .
C2 C1 Co1 C5' 63.5(4) . .
C5 C1 Co1 C5' -55.1(4) . .
C2 C1 Co1 C4' -18(2) . .
C5 C1 Co1 C4' -136(2) . .
C2 C1 Co1 C5 118.53(14) . .
C2 C1 Co1 C4 80.35(15) . .
C5 C1 Co1 C4 -38.17(10) . .
C2 C1 Co1 C3 37.06(9) . .
C5 C1 Co1 C3 -81.47(16) . .
C2 C1 Co1 C1' 106.2(4) . .
C5 C1 Co1 C1' -12.3(5) . .
C5 C1 Co1 C2 -118.53(14) . .
C2 C1 Co1 C2' 142.4(9) . .
C5 C1 Co1 C2' 23.9(10) . .
C2 C1 Co1 P1 -58.3(3) . .
C5 C1 Co1 P1 -176.8(3) . .
C2 C1 Co1 P2 95.7(8) . .
C5 C1 Co1 P2 -22.8(8) . .
C2 C3 Co1 C3' -2.2(14) . .
C4 C3 Co1 C3' 116.8(13) . .
C2 C3 Co1 C5' -127.9(11) . .
C4 C3 Co1 C5' -8.9(11) . .
C2 C3 Co1 C4' -25.4(5) . .
C4 C3 Co1 C4' 93.6(5) . .
C2 C3 Co1 C5 -80.89(17) . .
C4 C3 Co1 C5 38.10(10) . .
C2 C3 Co1 C4 -118.99(15) . .
C2 C3 Co1 C1 -37.22(10) . .
C4 C3 Co1 C1 81.77(16) . .
C2 C3 Co1 C1' -103.4(4) . .
C4 C3 Co1 C1' 15.6(4) . .
C4 C3 Co1 C2 118.99(15) . .
C2 C3 Co1 C2' -64.5(4) . .
C4 C3 Co1 C2' 54.5(3) . .
C2 C3 Co1 P1 69.2(3) . .
C4 C3 Co1 P1 -171.8(3) . .
C2 C3 Co1 P2 163.0(3) . .
C4 C3 Co1 P2 -78.0(3) . .
C3 C2 Co1 C3' 2.5(16) . .
C1 C2 Co1 C3' -116.7(16) . .
C3 C2 Co1 C5' 22.9(5) . .
C1 C2 Co1 C5' -96.3(5) . .
C3 C2 Co1 C4' 127.4(10) . .
C1 C2 Co1 C4' 8.2(11) . .
C3 C2 Co1 C5 81.30(17) . .
C1 C2 Co1 C5 -37.89(10) . .
C3 C2 Co1 C4 37.47(10) . .
C1 C2 Co1 C4 -81.72(16) . .
C3 C2 Co1 C1 119.19(14) . .
C1 C2 Co1 C3 -119.19(14) . .
C3 C2 Co1 C1' 61.3(3) . .
C1 C2 Co1 C1' -57.9(3) . .
C3 C2 Co1 C2' 100.8(4) . .
C1 C2 Co1 C2' -18.4(4) . .
C3 C2 Co1 P1 -114.1(4) . .
C1 C2 Co1 P1 126.8(4) . .
C3 C2 Co1 P2 -25.1(4) . .
C1 C2 Co1 P2 -144.3(4) . .
C19 C18 N1 C33 -179.4(4) . .
C19 C18 N1 Ho1 -12.7(6) . .
C34 C33 N1 C18 27.2(6) . .
C32 C33 N1 C18 -154.1(4) . .
C34 C33 N1 Ho1 -141.8(3) . .
C32 C33 N1 Ho1 37.0(4) . .
O11 Ho1 N1 C18 106.5(4) . .
O10 Ho1 N1 C18 27.0(3) . .
O6 Ho1 N1 C18 -137.3(4) . .
O9 Ho1 N1 C18 -46.9(5) . .
O3 Ho1 N1 C18 -61.6(4) . .
N2 Ho1 N1 C18 153.2(4) . .
O11 Ho1 N1 C33 -85.6(3) . .
O10 Ho1 N1 C33 -165.1(3) . .
O6 Ho1 N1 C33 30.6(3) . .
O9 Ho1 N1 C33 121.0(3) . .
O3 Ho1 N1 C33 106.3(3) . .
N2 Ho1 N1 C33 -38.9(3) . .
C26 C25 N2 C32 178.8(4) . .
C26 C25 N2 Ho1 5.6(7) . .
C34 C32 N2 C25 -32.3(6) 3_676 .
C33 C32 N2 C25 151.1(4) . .
C34 C32 N2 Ho1 142.2(4) 3_676 .
C33 C32 N2 Ho1 -34.4(4) . .
O11 Ho1 N2 C25 -7.5(4) . .
O10 Ho1 N2 C25 -90.4(4) . .
O6 Ho1 N2 C25 104.6(4) . .
O9 Ho1 N2 C25 47.1(5) . .
O3 Ho1 N2 C25 167.5(4) . .
N1 Ho1 N2 C25 -148.2(4) . .
O11 Ho1 N2 C32 178.8(3) . .
O10 Ho1 N2 C32 95.9(3) . .
O6 Ho1 N2 C32 -69.1(3) . .
O9 Ho1 N2 C32 -126.6(3) . .
O3 Ho1 N2 C32 -6.1(3) . .
N1 Ho1 N2 C32 38.1(3) . .
O1' C6 O1 P1 55.0(17) . .
C7 C6 O1 P1 -171.4(4) . .
C9 C8 O2 P1 -97.6(5) . .
O11 Ho1 O3 P1 62.1(5) . .
O10 Ho1 O3 P1 139.3(3) . .
O6 Ho1 O3 P1 -43.4(3) . .
O9 Ho1 O3 P1 41.4(3) . .
N1 Ho1 O3 P1 -145.9(3) . .
N2 Ho1 O3 P1 -104.9(3) . .
C11 C10 O4 P2 -170.7(6) . .
C13 C12 O5 P2 178.6(5) . .
O11 Ho1 O6 P2 -118.1(3) . .
O10 Ho1 O6 P2 49.3(6) . .
O9 Ho1 O6 P2 -37.9(3) . .
O3 Ho1 O6 P2 40.1(3) . .
N1 Ho1 O6 P2 112.9(3) . .
N2 Ho1 O6 P2 174.3(3) . .
C15 C14 O7 P3 -79.2(10) . .
C17 C16 O8 P3 92.4(7) . .
O11 Ho1 O9 P3 133.1(3) . .
O10 Ho1 O9 P3 -137.4(3) . .
O6 Ho1 O9 P3 25.6(3) . .
O3 Ho1 O9 P3 -54.5(3) . .
N1 Ho1 O9 P3 -69.0(4) . .
N2 Ho1 O9 P3 81.2(3) . .
C23 C24 O10 Ho1 -149.1(3) . .
C19 C24 O10 Ho1 31.8(6) . .
O11 Ho1 O10 C24 -162.7(4) . .
O6 Ho1 O10 C24 29.4(6) . .
O9 Ho1 O10 C24 114.5(4) . .
O3 Ho1 O10 C24 38.4(4) . .
N1 Ho1 O10 C24 -37.7(3) . .
N2 Ho1 O10 C24 -90.7(4) . .
C30 C31 O11 Ho1 174.7(3) . .
C26 C31 O11 Ho1 -5.4(8) . .
O10 Ho1 O11 C31 122.6(5) . .
O6 Ho1 O11 C31 -61.0(5) . .
O9 Ho1 O11 C31 -140.9(5) . .
O3 Ho1 O11 C31 -161.2(4) . .
N1 Ho1 O11 C31 51.7(5) . .
N2 Ho1 O11 C31 8.1(5) . .
Ho1 O3 P1 O1' 150.4(8) . .
Ho1 O3 P1 O2 -125.1(3) . .
Ho1 O3 P1 O1 122.3(3) . .
Ho1 O3 P1 Co1 3.5(3) . .
C8 O2 P1 O3 17.7(5) . .
C8 O2 P1 O1' 127.2(9) . .
C8 O2 P1 O1 132.5(5) . .
C8 O2 P1 Co1 -116.5(4) . .
C6 O1 P1 O3 41.7(5) . .
C6 O1 P1 O1' -62.5(17) . .
C6 O1 P1 O2 -74.0(5) . .
C6 O1 P1 Co1 170.5(4) . .
C3' Co1 P1 O3 166.2(5) . .
C5' Co1 P1 O3 137.5(5) . .
C4' Co1 P1 O3 -153.2(5) . .
C5 Co1 P1 O3 -149.0(5) . .
C4 Co1 P1 O3 137.8(4) . .
C1 Co1 P1 O3 -145.0(3) . .
C3 Co1 P1 O3 146.1(3) . .
C1' Co1 P1 O3 167.6(14) . .
C2 Co1 P1 O3 -177.7(3) . .
C2' Co1 P1 O3 -131.7(5) . .
P2 Co1 P1 O3 45.00(17) . .
C3' Co1 P1 O1' 21.3(10) . .
C5' Co1 P1 O1' -7.4(9) . .
C4' Co1 P1 O1' 61.9(9) . .
C5 Co1 P1 O1' 66.1(9) . .
C4 Co1 P1 O1' -7.1(9) . .
C1 Co1 P1 O1' 70.1(8) . .
C3 Co1 P1 O1' 1.2(8) . .
C1' Co1 P1 O1' 22.7(17) . .
C2 Co1 P1 O1' 37.4(8) . .
C2' Co1 P1 O1' 83.4(10) . .
P2 Co1 P1 O1' -99.9(8) . .
C3' Co1 P1 O2 -65.8(6) . .
C5' Co1 P1 O2 -94.5(5) . .
C4' Co1 P1 O2 -25.2(5) . .
C5 Co1 P1 O2 -21.0(5) . .
C4 Co1 P1 O2 -94.2(4) . .
C1 Co1 P1 O2 -17.0(3) . .
C3 Co1 P1 O2 -85.8(3) . .
C1' Co1 P1 O2 -64.4(14) . .
C2 Co1 P1 O2 -49.6(3) . .
C2' Co1 P1 O2 -3.6(6) . .
P2 Co1 P1 O2 173.0(2) . .
C3' Co1 P1 O1 45.5(6) . .
C5' Co1 P1 O1 16.8(5) . .
C4' Co1 P1 O1 86.1(5) . .
C5 Co1 P1 O1 90.3(5) . .
C4 Co1 P1 O1 17.1(4) . .
C1 Co1 P1 O1 94.3(3) . .
C3 Co1 P1 O1 25.4(3) . .
C1' Co1 P1 O1 46.9(15) . .
C2 Co1 P1 O1 61.6(3) . .
C2' Co1 P1 O1 107.6(6) . .
P2 Co1 P1 O1 -75.7(2) . .
Ho1 O6 P2 O4 -125.9(3) . .
Ho1 O6 P2 O5 125.5(3) . .
Ho1 O6 P2 Co1 2.2(4) . .
C10 O4 P2 O6 1.3(6) . .
C10 O4 P2 O5 114.7(6) . .
C10 O4 P2 Co1 -131.6(5) . .
C12 O5 P2 O6 41.1(5) . .
C12 O5 P2 O4 -72.5(5) . .
C12 O5 P2 Co1 171.4(5) . .
C3' Co1 P2 O6 -144.6(5) . .
C5' Co1 P2 O6 -173.6(6) . .
C4' Co1 P2 O6 -170.6(13) . .
C5 Co1 P2 O6 140.3(3) . .
C4 Co1 P2 O6 170.7(3) . .
C1 Co1 P2 O6 156.6(6) . .
C3 Co1 P2 O6 -150.8(3) . .
C1' Co1 P2 O6 147.6(5) . .
C2 Co1 P2 O6 -135.0(3) . .
C2' Co1 P2 O6 129.1(5) . .
P1 Co1 P2 O6 -47.70(17) . .
C3' Co1 P2 O4 -17.5(5) . .
C5' Co1 P2 O4 -46.5(6) . .
C4' Co1 P2 O4 -43.6(13) . .
C5 Co1 P2 O4 -92.7(3) . .
C4 Co1 P2 O4 -62.2(3) . .
C1 Co1 P2 O4 -76.3(6) . .
C3 Co1 P2 O4 -23.7(3) . .
C1' Co1 P2 O4 -85.3(5) . .
C2 Co1 P2 O4 -7.9(3) . .
C2' Co1 P2 O4 -103.9(5) . .
P1 Co1 P2 O4 79.37(19) . .
C3' Co1 P2 O5 91.9(5) . .
C5' Co1 P2 O5 62.9(6) . .
C4' Co1 P2 O5 65.8(13) . .
C5 Co1 P2 O5 16.7(3) . .
C4 Co1 P2 O5 47.2(3) . .
C1 Co1 P2 O5 33.1(6) . .
C3 Co1 P2 O5 85.7(3) . .
C1' Co1 P2 O5 24.0(5) . .
C2 Co1 P2 O5 101.5(3) . .
C2' Co1 P2 O5 5.5(5) . .
P1 Co1 P2 O5 -171.24(18) . .
Ho1 O9 P3 O7 -110.5(3) . .
Ho1 O9 P3 O8 141.5(3) . .
Ho1 O9 P3 Co1 18.4(4) . .
C14 O7 P3 O9 18.4(7) . .
C14 O7 P3 O8 132.0(6) . .
C14 O7 P3 Co1 -115.4(6) . .
C16 O8 P3 O9 16.5(6) . .
C16 O8 P3 O7 -96.8(6) . .
C16 O8 P3 Co1 147.2(5) . .
C3' Co1 P3 O9 139.4(8) . .
C5' Co1 P3 O9 -148.3(7) . .
C4' Co1 P3 O9 138.9(5) . .
C5 Co1 P3 O9 -172.0(3) . .
C4 Co1 P3 O9 -146.0(3) . .
C1 Co1 P3 O9 148.1(3) . .
C3 Co1 P3 O9 175.3(7) . .
C1' Co1 P3 O9 -152.6(4) . .
C2 Co1 P3 O9 125.3(3) . .
C2' Co1 P3 O9 172.9(5) . .
P1 Co1 P3 O9 37.81(18) . .
P2 Co1 P3 O9 -53.61(19) . .
C3' Co1 P3 O7 -93.0(9) . .
C5' Co1 P3 O7 -20.7(7) . .
C4' Co1 P3 O7 -93.6(5) . .
C5 Co1 P3 O7 -44.4(3) . .
C4 Co1 P3 O7 -18.4(3) . .
C1 Co1 P3 O7 -84.4(3) . .
C3 Co1 P3 O7 -57.1(8) . .
C1' Co1 P3 O7 -25.0(4) . .
C2 Co1 P3 O7 -107.1(3) . .
C2' Co1 P3 O7 -59.5(5) . .
P1 Co1 P3 O7 165.4(2) . .
P2 Co1 P3 O7 74.0(2) . .
C3' Co1 P3 O8 15.4(9) . .
C5' Co1 P3 O8 87.7(7) . .
C4' Co1 P3 O8 14.9(5) . .
C5 Co1 P3 O8 64.0(3) . .
C4 Co1 P3 O8 90.0(3) . .
C1 Co1 P3 O8 24.1(3) . .
C3 Co1 P3 O8 51.3(8) . .
C1' Co1 P3 O8 83.4(4) . .
C2 Co1 P3 O8 1.3(3) . .
C2' Co1 P3 O8 48.9(5) . .
P1 Co1 P3 O8 -86.2(2) . .
P2 Co1 P3 O8 -177.6(2) . .
C3' Co1 C1' C2' 81.4(4) . .
C5' Co1 C1' C2' 119.8(3) . .
C4' Co1 C1' C2' 37.1(2) . .
C5 Co1 C1' C2' 3.3(12) . .
C4 Co1 C1' C2' 128.7(11) . .
C1 Co1 C1' C2' 25.8(5) . .
C3 Co1 C1' C2' 104.1(5) . .
C2 Co1 C1' C2' 64.7(5) . .
P1 Co1 C1' C2' 80.0(19) . .
P2 Co1 C1' C2' -158.4(6) . .
C3' Co1 C1' C5' -38.4(2) . .
C4' Co1 C1' C5' -82.7(4) . .
C5 Co1 C1' C5' -116.6(12) . .
C4 Co1 C1' C5' 8.9(11) . .
C1 Co1 C1' C5' -94.1(5) . .
C3 Co1 C1' C5' -15.7(5) . .
C2 Co1 C1' C5' -55.1(5) . .
C2' Co1 C1' C5' -119.8(3) . .
P1 Co1 C1' C5' -39.9(19) . .
P2 Co1 C1' C5' 81.7(6) . .
C5' C1' C2' C4' 0.0 . .
Co1 C1' C2' C4' -57.7(5) . .
C5' C1' C2' Co1 57.7(5) . .
C3' Co1 C2' C1' -81.2(4) . .
C5' Co1 C2' C1' -37.0(2) . .
C4' Co1 C2' C1' -119.7(3) . .
C5 Co1 C2' C1' -3.8(14) . .
C4 Co1 C2' C1' -22.6(5) . .
C1 Co1 C2' C1' -126.4(10) . .
C3 Co1 C2' C1' -60.9(5) . .
C2 Co1 C2' C1' -100.7(5) . .
P1 Co1 C2' C1' -154.5(8) . .
P2 Co1 C2' C1' 30.1(7) . .
C3' Co1 C2' C4' 38.5(2) . .
C5' Co1 C2' C4' 82.8(4) . .
C5 Co1 C2' C4' 116.0(14) . .
C4 Co1 C2' C4' 97.2(5) . .
C1 Co1 C2' C4' -6.6(11) . .
C3 Co1 C2' C4' 58.9(5) . .
C1' Co1 C2' C4' 119.7(3) . .
C2 Co1 C2' C4' 19.1(6) . .
P1 Co1 C2' C4' -34.7(7) . .
P2 Co1 C2' C4' 149.9(8) . .
C1' C2' C4' C3' 0.0 . .
Co1 C2' C4' C3' -59.5(5) . .
C1' C2' C4' Co1 59.5(5) . .
C5' Co1 C4' C3' 38.6(2) . .
C5 Co1 C4' C3' 96.8(5) . .
C4 Co1 C4' C3' 55.5(4) . .
C1 Co1 C4' C3' 132(2) . .
C3 Co1 C4' C3' 12.7(6) . .
C1' Co1 C4' C3' 81.6(3) . .
C2 Co1 C4' C3' -23.0(11) . .
C2' Co1 C4' C3' 118.1(3) . .
P1 Co1 C4' C3' -86.0(7) . .
P2 Co1 C4' C3' 35.5(18) . .
C3' Co1 C4' C2' -118.1(3) . .
C5' Co1 C4' C2' -79.5(3) . .
C5 Co1 C4' C2' -21.3(5) . .
C4 Co1 C4' C2' -62.6(4) . .
C1 Co1 C4' C2' 14(2) . .
C3 Co1 C4' C2' -105.5(5) . .
C1' Co1 C4' C2' -36.5(2) . .
C2 Co1 C4' C2' -141.1(11) . .
P1 Co1 C4' C2' 155.8(6) . .
P2 Co1 C4' C2' -82.6(18) . .
C2' C4' C3' C5' 0.0 . .
Co1 C4' C3' C5' -62.3(5) . .
C2' C4' C3' Co1 62.3(5) . .
C5' Co1 C3' C4' -117.3(3) . .
C5 Co1 C3' C4' -57.0(4) . .
C4 Co1 C3' C4' -102.4(4) . .
C1 Co1 C3' C4' -12.1(6) . .
C3 Co1 C3' C4' -148.5(13) . .
C1' Co1 C3' C4' -79.9(3) . .
C2 Co1 C3' C4' 35.9(17) . .
C2' Co1 C3' C4' -37.5(2) . .
P1 Co1 C3' C4' 99.6(7) . .
P2 Co1 C3' C4' -165.6(7) . .
C4' Co1 C3' C5' 117.3(3) . .
C5 Co1 C3' C5' 60.3(4) . .
C4 Co1 C3' C5' 14.9(5) . .
C1 Co1 C3' C5' 105.2(5) . .
C3 Co1 C3' C5' -31.2(14) . .
C1' Co1 C3' C5' 37.4(2) . .
C2 Co1 C3' C5' 153.2(16) . .
C2' Co1 C3' C5' 79.8(3) . .
P1 Co1 C3' C5' -143.0(7) . .
P2 Co1 C3' C5' -48.3(6) . .
C4' C3' C5' C1' 0.0 . .
Co1 C3' C5' C1' -62.2(5) . .
C4' C3' C5' Co1 62.2(5) . .
C2' C1' C5' C3' 0.0 . .
Co1 C1' C5' C3' 59.3(6) . .
C2' C1' C5' Co1 -59.3(6) . .
C4' Co1 C5' C3' -38.7(2) . .
C5 Co1 C5' C3' -94.2(5) . .
C4 Co1 C5' C3' -131.8(16) . .
C1 Co1 C5' C3' -52.1(5) . .
C3 Co1 C5' C3' 26.9(12) . .
C1' Co1 C5' C3' -118.3(3) . .
C2 Co1 C5' C3' -9.6(6) . .
C2' Co1 C5' C3' -81.8(4) . .
P1 Co1 C5' C3' 47.6(6) . .
P2 Co1 C5' C3' 140.1(7) . .
C3' Co1 C5' C1' 118.3(3) . .
C4' Co1 C5' C1' 79.6(3) . .
C5 Co1 C5' C1' 24.1(5) . .
C4 Co1 C5' C1' -13.5(17) . .
C1 Co1 C5' C1' 66.1(4) . .
C3 Co1 C5' C1' 145.1(11) . .
C2 Co1 C5' C1' 108.7(5) . .
C2' Co1 C5' C1' 36.5(2) . .
P1 Co1 C5' C1' 165.8(6) . .
P2 Co1 C5' C1' -101.6(6) . .
O1 C6 O1' P1 -73.4(18) . .
C7 C6 O1' P1 -130.8(12) . .
O3 P1 O1' C6 -20.8(17) . .
O2 P1 O1' C6 -126.5(15) . .
O1 P1 O1' C6 64.9(17) . .
Co1 P1 O1' C6 126.8(12) . .
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 0.875 0.099 0.298 30 2 ' '
2 0.336 0.196 0.133 174 43 ' '
3 0.779 0.098 0.050 14 0 ' '
4 0.336 0.304 0.633 174 42 ' '
5 0.875 0.401 0.798 30 2 ' '
6 0.779 0.402 0.550 14 0 ' '
7 0.125 0.599 0.202 30 2 ' '
8 0.664 0.696 0.367 174 42 ' '
9 0.220 0.598 0.449 14 0 ' '
10 0.664 0.804 0.867 174 42 ' '
11 0.125 0.901 0.702 30 2 ' '
12 0.220 0.902 0.949 14 0 ' '
