#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:55:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179399 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/96/4329696.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_4329696
loop_
_publ_author_name
'Yue Liu'
'Zhi Chen'
'Jia Ren'
'Xiao-Qing Zhao'
'Peng Cheng'
'Bin Zhao'
_publ_section_title
;
 Two-Dimensional 3d-4f Networks Containing Planar Co4Ln2 Clusters with
 Single-Molecule-Magnet Behaviors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7433
_journal_page_last               7435
_journal_paper_doi               10.1021/ic300372v
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C100 H80 Co4 Ho2 N14 O30'
_chemical_formula_weight         2523.36
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 115.296(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2479(7)
_cell_length_b                   25.7382(15)
_cell_length_c                   14.8186(9)
_cell_measurement_reflns_used    4961
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2017
_cell_measurement_theta_min      2.3704
_cell_volume                     4568.3(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0939
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15161
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    2.517
_exptl_absorpt_correction_T_max  0.6330
_exptl_absorpt_correction_T_min  0.6330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_description       prism
_exptl_crystal_F_000             2519
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.297
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     690
_refine_ls_number_reflns         7690
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0431P)²+11.2284P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1269
_reflns_number_gt                5689
_reflns_number_total             7690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300372v_si_002.cif
_cod_data_source_block           p111015p
_cod_database_code               4329696
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
Ho1 Ho 0.00433(3) -0.510700(13) -0.12912(3) 0.01357(12) Uani 1 1 d D
Co3 Co -0.25057(8) -0.38511(4) 0.01785(7) 0.0136(2) Uani 1 1 d .
Co4 Co -0.23555(8) -0.37692(4) -0.25338(7) 0.0167(3) Uani 1 1 d .
O1 O -0.8249(4) -0.0456(2) -0.2678(4) 0.0245(13) Uani 1 1 d .
O2 O -0.9310(4) -0.09312(19) -0.3975(4) 0.0219(13) Uani 1 1 d .
O3 O -0.8604(4) -0.05165(19) -0.5882(4) 0.0197(12) Uani 1 1 d .
O4 O -0.9017(4) -0.0995(2) -0.7263(4) 0.0259(14) Uani 1 1 d .
O5 O -0.2029(4) -0.40129(18) -0.0955(3) 0.0155(12) Uani 1 1 d .
O6 O -0.1180(4) -0.43464(18) -0.1807(3) 0.0160(12) Uani 1 1 d .
O7 O -0.0968(4) -0.47310(18) -0.0421(3) 0.0144(11) Uani 1 1 d .
O8 O 0.1587(5) -0.5561(2) -0.2736(4) 0.0307(15) Uani 1 1 d .
O9 O 0.1385(4) -0.56719(18) -0.1307(4) 0.0178(12) Uani 1 1 d .
O10 O 0.2752(4) -0.6061(2) -0.1499(4) 0.0211(13) Uani 1 1 d .
O11 O -0.2360(7) -0.4329(3) -0.5111(6) 0.086(3) Uani 1 1 d U
O12 O -0.2329(6) -0.3832(2) -0.3887(5) 0.0497(19) Uani 1 1 d .
O13 O -0.0036(5) -0.4932(2) -0.2864(4) 0.0258(13) Uani 1 1 d D
H13A H 0.050(5) -0.511(2) -0.288(5) 0.039 Uiso 1 1 d D
H13B H 0.012(6) -0.4609(9) -0.284(5) 0.039 Uiso 1 1 d D
O14 O -0.7825(5) -0.3251(3) -0.4292(5) 0.056(2) Uani 1 1 d .
O15 O -0.3600(7) -0.3849(3) -0.6988(6) 0.058(2) Uani 1 1 d D
H15A H -0.314(8) -0.390(4) -0.638(3) 0.087 Uiso 1 1 d D
H15B H -0.357(9) -0.3543(17) -0.716(7) 0.087 Uiso 1 1 d D
N1 N -0.1564(5) -0.3138(2) 0.0699(4) 0.0163(14) Uani 1 1 d .
N2 N -0.3604(5) -0.3279(2) -0.0636(4) 0.0132(14) Uani 1 1 d .
N3 N -0.4042(5) -0.4261(2) -0.0677(5) 0.0170(14) Uani 1 1 d .
N4 N -0.1507(5) -0.3066(2) -0.1894(4) 0.0150(14) Uani 1 1 d .
N5 N -0.3560(5) -0.3203(2) -0.3106(4) 0.0166(15) Uani 1 1 d .
N6 N -0.3934(5) -0.4190(2) -0.3114(5) 0.0210(16) Uani 1 1 d .
N7 N -0.8784(7) -0.3984(3) -0.4961(6) 0.048(2) Uani 1 1 d .
C1 C -0.0525(6) -0.3096(3) 0.1429(6) 0.0213(19) Uani 1 1 d .
H1 H -0.0137 -0.3398 0.1721 0.026 Uiso 1 1 calc R
C2 C -0.0010(6) -0.2625(3) 0.1762(6) 0.0210(19) Uani 1 1 d .
H2 H 0.0705 -0.2611 0.2278 0.025 Uiso 1 1 calc R
C3 C -0.0569(6) -0.2172(3) 0.1319(6) 0.0211(19) Uani 1 1 d .
H3 H -0.0235 -0.1849 0.1523 0.025 Uiso 1 1 calc R
C4 C -0.1642(6) -0.2216(3) 0.0563(6) 0.0192(18) Uani 1 1 d .
H4 H -0.2044 -0.1920 0.0258 0.023 Uiso 1 1 calc R
C5 C -0.2112(6) -0.2701(3) 0.0264(5) 0.0152(17) Uani 1 1 d .
C6 C -0.3285(6) -0.2774(3) -0.0511(5) 0.0152(17) Uani 1 1 d .
C7 C -0.3999(6) -0.2386(3) -0.1007(5) 0.0143(17) Uani 1 1 d U
H7 H -0.3748 -0.2044 -0.0915 0.017 Uiso 1 1 calc R
C8 C -0.5110(6) -0.2494(3) -0.1654(5) 0.0162(17) Uani 1 1 d .
C9 C -0.5422(6) -0.3024(3) -0.1794(6) 0.0159(17) Uani 1 1 d .
H9 H -0.6143 -0.3119 -0.2234 0.019 Uiso 1 1 calc R
C10 C -0.4653(6) -0.3400(3) -0.1273(5) 0.0154(17) Uani 1 1 d .
C11 C -0.4900(6) -0.3967(3) -0.1317(5) 0.0147(16) Uani 1 1 d .
C12 C -0.5916(6) -0.4192(3) -0.1912(6) 0.0223(19) Uani 1 1 d .
H12 H -0.6504 -0.3985 -0.2332 0.027 Uiso 1 1 calc R
C13 C -0.6062(7) -0.4721(3) -0.1885(6) 0.027(2) Uani 1 1 d .
H13 H -0.6744 -0.4873 -0.2287 0.032 Uiso 1 1 calc R
C14 C -0.5179(7) -0.5020(3) -0.1252(6) 0.031(2) Uani 1 1 d .
H14 H -0.5250 -0.5379 -0.1225 0.038 Uiso 1 1 calc R
C15 C -0.4185(7) -0.4774(3) -0.0658(6) 0.024(2) Uani 1 1 d .
H15 H -0.3591 -0.4975 -0.0227 0.029 Uiso 1 1 calc R
C16 C -0.5951(6) -0.2080(3) -0.2093(5) 0.0153(17) Uani 1 1 d U
C17 C -0.6953(6) -0.2159(3) -0.2946(5) 0.0169(17) Uani 1 1 d .
H17 H -0.7095 -0.2479 -0.3270 0.020 Uiso 1 1 calc R
C18 C -0.7727(6) -0.1766(3) -0.3305(6) 0.0189(18) Uani 1 1 d .
H18 H -0.8378 -0.1821 -0.3882 0.023 Uiso 1 1 calc R
C19 C -0.7559(6) -0.1289(3) -0.2828(6) 0.0163(17) Uani 1 1 d .
C20 C -0.6570(6) -0.1208(3) -0.1982(6) 0.0199(18) Uani 1 1 d .
H20 H -0.6443 -0.0890 -0.1654 0.024 Uiso 1 1 calc R
C21 C -0.5777(6) -0.1592(3) -0.1622(5) 0.0151(17) Uani 1 1 d .
H21 H -0.5116 -0.1528 -0.1059 0.018 Uiso 1 1 calc R
C22 C -0.8420(6) -0.0870(3) -0.3196(6) 0.0159(17) Uani 1 1 d .
C23 C -0.4057(6) -0.4707(3) -0.3074(6) 0.024(2) Uani 1 1 d .
H23 H -0.3452 -0.4906 -0.2656 0.029 Uiso 1 1 calc R
C24 C -0.5065(7) -0.4952(3) -0.3640(7) 0.032(2) Uani 1 1 d .
H24 H -0.5134 -0.5309 -0.3593 0.039 Uiso 1 1 calc R
C25 C -0.5955(7) -0.4664(3) -0.4267(7) 0.033(2) Uani 1 1 d .
H25 H -0.6635 -0.4823 -0.4652 0.040 Uiso 1 1 calc R
C26 C -0.5832(7) -0.4134(3) -0.4321(6) 0.025(2) Uani 1 1 d .
H26 H -0.6424 -0.3932 -0.4751 0.030 Uiso 1 1 calc R
C27 C -0.4823(6) -0.3910(3) -0.3731(6) 0.0202(19) Uani 1 1 d .
C28 C -0.4619(6) -0.3335(3) -0.3707(5) 0.0131(16) Uani 1 1 d .
C29 C -0.5417(6) -0.2966(3) -0.4199(5) 0.0144(17) Uani 1 1 d .
H29 H -0.6152 -0.3066 -0.4585 0.017 Uiso 1 1 calc R
C30 C -0.5126(6) -0.2439(3) -0.4120(5) 0.0159(17) Uani 1 1 d .
C31 C -0.4022(6) -0.2309(3) -0.3493(5) 0.0140(17) Uani 1 1 d .
H31 H -0.3795 -0.1964 -0.3411 0.017 Uiso 1 1 calc R
C32 C -0.3262(6) -0.2701(3) -0.2990(5) 0.0187(18) Uani 1 1 d .
C33 C -0.2078(6) -0.2623(3) -0.2240(5) 0.0155(17) Uani 1 1 d .
C34 C -0.1649(6) -0.2138(3) -0.1884(5) 0.0188(18) Uani 1 1 d .
H34 H -0.2078 -0.1840 -0.2127 0.023 Uiso 1 1 calc R
C35 C -0.0553(7) -0.2107(3) -0.1149(5) 0.0225(19) Uani 1 1 d .
H35 H -0.0233 -0.1785 -0.0906 0.027 Uiso 1 1 calc R
C36 C 0.0055(6) -0.2559(3) -0.0786(5) 0.0196(18) Uani 1 1 d .
H36 H 0.0781 -0.2547 -0.0288 0.024 Uiso 1 1 calc R
C37 C -0.0449(6) -0.3028(3) -0.1184(5) 0.0177(18) Uani 1 1 d .
H37 H -0.0039 -0.3332 -0.0952 0.021 Uiso 1 1 calc R
C38 C -0.5972(6) -0.2042(3) -0.4671(5) 0.0156(17) Uani 1 1 d .
C39 C -0.6867(6) -0.2178(3) -0.5566(5) 0.0174(17) Uani 1 1 d .
H39 H -0.6937 -0.2517 -0.5803 0.021 Uiso 1 1 calc R
C40 C -0.7654(6) -0.1804(3) -0.6103(6) 0.0188(18) Uani 1 1 d .
H40 H -0.8230 -0.1894 -0.6714 0.023 Uiso 1 1 calc R
C41 C -0.7603(6) -0.1302(3) -0.5754(5) 0.0151(17) Uani 1 1 d .
C42 C -0.6726(6) -0.1172(3) -0.4837(5) 0.0157(17) Uani 1 1 d .
H42 H -0.6690 -0.0840 -0.4580 0.019 Uiso 1 1 calc R
C43 C -0.5908(6) -0.1533(3) -0.4306(5) 0.0147(17) Uani 1 1 d .
H43 H -0.5318 -0.1438 -0.3708 0.018 Uiso 1 1 calc R
C44 C -0.8484(6) -0.0906(3) -0.6356(6) 0.0186(18) Uani 1 1 d .
C45 C -0.1397(6) -0.4356(3) -0.1044(5) 0.0100(15) Uani 1 1 d U
C46 C -0.2266(9) -0.4222(5) -0.4238(8) 0.056(3) Uani 1 1 d U
H46 H -0.2122 -0.4507 -0.3815 0.067 Uiso 1 1 calc R
C47 C 0.1909(6) -0.5755(3) -0.1901(6) 0.0217(19) Uani 1 1 d .
C48 C -0.8700(8) -0.3950(4) -0.5921(6) 0.043(3) Uani 1 1 d .
H48A H -0.8312 -0.3638 -0.5935 0.064 Uiso 1 1 calc R
H48B H -0.9435 -0.3946 -0.6459 0.064 Uiso 1 1 calc R
H48C H -0.8297 -0.4246 -0.5992 0.064 Uiso 1 1 calc R
C49 C -0.9401(10) -0.4429(5) -0.4837(9) 0.079(4) Uani 1 1 d U
H49A H -0.8981 -0.4742 -0.4778 0.118 Uiso 1 1 calc R
H49B H -1.0110 -0.4455 -0.5407 0.118 Uiso 1 1 calc R
H49C H -0.9518 -0.4383 -0.4246 0.118 Uiso 1 1 calc R
C50 C -0.8324(7) -0.3619(4) -0.4202(8) 0.044(3) Uani 1 1 d .
H50 H -0.8407 -0.3662 -0.3614 0.053 Uiso 1 1 calc R
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'
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O3 Ho1 O9 85.70(18) 4_656 .
O3 Ho1 O13 79.92(18) 4_656 .
O9 Ho1 O13 79.48(19) . .
O3 Ho1 O7 81.33(17) 4_656 3_545
O9 Ho1 O7 81.35(17) . 3_545
O13 Ho1 O7 154.03(18) . 3_545
O3 Ho1 O1 152.64(18) 4_656 2_444
O9 Ho1 O1 108.56(18) . 2_444
O13 Ho1 O1 79.97(19) . 2_444
O7 Ho1 O1 123.02(18) 3_545 2_444
O3 Ho1 O7 97.31(18) 4_656 .
O9 Ho1 O7 149.51(16) . .
O13 Ho1 O7 130.98(18) . .
O7 Ho1 O7 69.24(18) 3_545 .
O1 Ho1 O7 82.22(17) 2_444 .
O3 Ho1 O2 152.95(17) 4_656 2_444
O9 Ho1 O2 79.34(17) . 2_444
O13 Ho1 O2 118.67(18) . 2_444
O7 Ho1 O2 74.26(17) 3_545 2_444
O1 Ho1 O2 54.41(17) 2_444 2_444
O7 Ho1 O2 84.94(17) . 2_444
O3 Ho1 O6 81.98(17) 4_656 .
O9 Ho1 O6 155.87(17) . .
O13 Ho1 O6 77.99(18) . .
O7 Ho1 O6 116.89(16) 3_545 .
O1 Ho1 O6 75.83(17) 2_444 .
O7 Ho1 O6 53.40(15) . .
O2 Ho1 O6 119.40(17) 2_444 .
O3 Ho1 C22 179.1(2) 4_656 2_444
O9 Ho1 C22 93.55(19) . 2_444
O13 Ho1 C22 99.5(2) . 2_444
O7 Ho1 C22 99.0(2) 3_545 2_444
O1 Ho1 C22 27.41(19) 2_444 2_444
O7 Ho1 C22 83.56(19) . 2_444
O2 Ho1 C22 27.02(18) 2_444 2_444
O6 Ho1 C22 98.56(19) . 2_444
O3 Ho1 C45 88.94(19) 4_656 .
O9 Ho1 C45 172.65(18) . .
O13 Ho1 C45 104.5(2) . .
O7 Ho1 C45 92.89(18) 3_545 .
O1 Ho1 C45 78.39(19) 2_444 .
O7 Ho1 C45 26.76(17) . .
O2 Ho1 C45 103.58(19) 2_444 .
O6 Ho1 C45 26.66(17) . .
C22 Ho1 C45 91.8(2) 2_444 .
O3 Ho1 Ho1 89.36(13) 4_656 3_545
O9 Ho1 Ho1 116.32(12) . 3_545
O13 Ho1 Ho1 160.38(14) . 3_545
O7 Ho1 Ho1 35.34(12) 3_545 3_545
O1 Ho1 Ho1 103.96(14) 2_444 3_545
O7 Ho1 Ho1 33.90(10) . 3_545
O2 Ho1 Ho1 77.51(12) 2_444 3_545
O6 Ho1 Ho1 84.31(11) . 3_545
C22 Ho1 Ho1 91.38(16) 2_444 3_545
C45 Ho1 Ho1 58.51(14) . 3_545
N2 Co3 O5 93.0(2) . .
N2 Co3 O9 165.8(2) . 3_545
O5 Co3 O9 99.89(19) . 3_545
N2 Co3 O10 105.5(2) . 3_545
O5 Co3 O10 160.50(19) . 3_545
O9 Co3 O10 62.54(19) 3_545 3_545
N2 Co3 N3 75.7(2) . .
O5 Co3 N3 87.9(2) . .
O9 Co3 N3 110.6(2) 3_545 .
O10 Co3 N3 90.7(2) 3_545 .
N2 Co3 N1 76.0(2) . .
O5 Co3 N1 97.5(2) . .
O9 Co3 N1 96.2(2) 3_545 .
O10 Co3 N1 93.1(2) 3_545 .
N3 Co3 N1 151.4(2) . .
O12 Co4 N5 89.3(3) . .
O12 Co4 O6 97.4(2) . .
N5 Co4 O6 173.2(2) . .
O12 Co4 N4 106.2(2) . .
N5 Co4 N4 75.5(2) . .
O6 Co4 N4 103.9(2) . .
O12 Co4 N6 89.4(3) . .
N5 Co4 N6 75.3(2) . .
O6 Co4 N6 103.2(2) . .
N4 Co4 N6 146.5(2) . .
O12 Co4 O5 156.6(2) . .
N5 Co4 O5 113.1(2) . .
O6 Co4 O5 60.15(18) . .
N4 Co4 O5 86.8(2) . .
N6 Co4 O5 89.9(2) . .
C22 O1 Ho1 93.3(4) . 2_454
C22 O2 Ho1 91.4(4) . 2_454
C44 O3 Ho1 132.5(5) . 4_455
C45 O5 Co3 132.1(4) . .
C45 O5 Co4 85.9(4) . .
Co3 O5 Co4 141.9(2) . .
C45 O6 Co4 94.0(4) . .
C45 O6 Ho1 94.4(4) . .
Co4 O6 Ho1 168.3(2) . .
C45 O7 Ho1 141.1(4) . 3_545
C45 O7 Ho1 95.4(4) . .
Ho1 O7 Ho1 110.76(18) 3_545 .
C47 O9 Co3 92.4(4) . 3_545
C47 O9 Ho1 136.0(5) . .
Co3 O9 Ho1 130.4(2) 3_545 .
C47 O10 Co3 92.7(4) . 3_545
C46 O12 Co4 123.5(7) . .
Ho1 O13 H13A 103(4) . .
Ho1 O13 H13B 104(4) . .
H13A O13 H13B 111(5) . .
H15A O15 H15B 112(5) . .
C1 N1 C5 118.4(6) . .
C1 N1 Co3 126.2(5) . .
C5 N1 Co3 115.3(5) . .
C10 N2 C6 119.3(6) . .
C10 N2 Co3 120.4(5) . .
C6 N2 Co3 120.3(5) . .
C15 N3 C11 118.8(7) . .
C15 N3 Co3 125.3(5) . .
C11 N3 Co3 115.9(5) . .
C33 N4 C37 117.6(6) . .
C33 N4 Co4 116.6(5) . .
C37 N4 Co4 125.8(5) . .
C32 N5 C28 119.7(6) . .
C32 N5 Co4 119.8(5) . .
C28 N5 Co4 120.0(5) . .
C23 N6 C27 118.1(7) . .
C23 N6 Co4 126.1(5) . .
C27 N6 Co4 114.4(5) . .
C50 N7 C49 120.2(9) . .
C50 N7 C48 123.5(8) . .
C49 N7 C48 116.3(8) . .
N1 C1 C2 122.8(7) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C1 C2 C3 119.3(7) . .
C1 C2 H2 120.4 . .
C3 C2 H2 120.4 . .
C2 C3 C4 117.9(7) . .
C2 C3 H3 121.1 . .
C4 C3 H3 121.1 . .
C5 C4 C3 119.9(7) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
N1 C5 C4 121.7(6) . .
N1 C5 C6 115.7(6) . .
C4 C5 C6 122.5(7) . .
N2 C6 C7 121.9(7) . .
N2 C6 C5 112.7(6) . .
C7 C6 C5 125.3(7) . .
C6 C7 C8 120.7(7) . .
C6 C7 H7 119.7 . .
C8 C7 H7 119.7 . .
C7 C8 C9 116.6(7) . .
C7 C8 C16 122.2(7) . .
C9 C8 C16 120.9(7) . .
C10 C9 C8 119.7(7) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
N2 C10 C9 121.7(7) . .
N2 C10 C11 113.6(6) . .
C9 C10 C11 124.6(6) . .
N3 C11 C12 120.6(7) . .
N3 C11 C10 114.3(6) . .
C12 C11 C10 125.0(7) . .
C13 C12 C11 120.4(7) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 118.8(8) . .
C12 C13 H13 120.6 . .
C14 C13 H13 120.6 . .
C13 C14 C15 118.4(8) . .
C13 C14 H14 120.8 . .
C15 C14 H14 120.8 . .
N3 C15 C14 122.9(7) . .
N3 C15 H15 118.6 . .
C14 C15 H15 118.6 . .
C17 C16 C21 117.9(6) . .
C17 C16 C8 122.4(7) . .
C21 C16 C8 119.5(6) . .
C18 C17 C16 120.2(7) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 121.6(7) . .
C17 C18 H18 119.2 . .
C19 C18 H18 119.2 . .
C18 C19 C20 118.4(7) . .
C18 C19 C22 121.5(6) . .
C20 C19 C22 120.1(7) . .
C21 C20 C19 121.0(7) . .
C21 C20 H20 119.5 . .
C19 C20 H20 119.5 . .
C20 C21 C16 120.8(7) . .
C20 C21 H21 119.6 . .
C16 C21 H21 119.6 . .
O2 C22 O1 120.8(7) . .
O2 C22 C19 121.0(7) . .
O1 C22 C19 118.2(6) . .
O2 C22 Ho1 61.5(4) . 2_454
O1 C22 Ho1 59.3(4) . 2_454
C19 C22 Ho1 174.4(5) . 2_454
N6 C23 C24 121.7(7) . .
N6 C23 H23 119.1 . .
C24 C23 H23 119.1 . .
C25 C24 C23 119.5(8) . .
C25 C24 H24 120.2 . .
C23 C24 H24 120.2 . .
C24 C25 C26 119.1(8) . .
C24 C25 H25 120.4 . .
C26 C25 H25 120.4 . .
C27 C26 C25 119.0(8) . .
C27 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
N6 C27 C26 122.4(7) . .
N6 C27 C28 114.5(6) . .
C26 C27 C28 123.0(7) . .
N5 C28 C29 121.6(7) . .
N5 C28 C27 113.0(6) . .
C29 C28 C27 125.3(7) . .
C28 C29 C30 120.2(7) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C31 C30 C29 117.3(7) . .
C31 C30 C38 122.3(7) . .
C29 C30 C38 120.4(7) . .
C32 C31 C30 119.7(7) . .
C32 C31 H31 120.2 . .
C30 C31 H31 120.2 . .
N5 C32 C31 121.5(7) . .
N5 C32 C33 112.4(7) . .
C31 C32 C33 126.0(7) . .
N4 C33 C34 123.3(7) . .
N4 C33 C32 114.1(6) . .
C34 C33 C32 122.4(7) . .
C33 C34 C35 118.2(7) . .
C33 C34 H34 120.9 . .
C35 C34 H34 120.9 . .
C36 C35 C34 119.5(7) . .
C36 C35 H35 120.3 . .
C34 C35 H35 120.3 . .
C37 C36 C35 118.2(7) . .
C37 C36 H36 120.9 . .
C35 C36 H36 120.9 . .
N4 C37 C36 123.2(7) . .
N4 C37 H37 118.4 . .
C36 C37 H37 118.4 . .
C39 C38 C43 119.1(7) . .
C39 C38 C30 119.2(7) . .
C43 C38 C30 121.7(6) . .
C40 C39 C38 119.7(7) . .
C40 C39 H39 120.2 . .
C38 C39 H39 120.2 . .
C41 C40 C39 121.8(7) . .
C41 C40 H40 119.1 . .
C39 C40 H40 119.1 . .
C40 C41 C42 118.3(7) . .
C40 C41 C44 120.3(6) . .
C42 C41 C44 121.4(7) . .
C43 C42 C41 120.9(7) . .
C43 C42 H42 119.5 . .
C41 C42 H42 119.5 . .
C42 C43 C38 120.1(7) . .
C42 C43 H43 119.9 . .
C38 C43 H43 119.9 . .
O4 C44 O3 126.4(7) . .
O4 C44 C41 116.8(7) . .
O3 C44 C41 116.8(6) . .
O5 C45 O6 119.2(6) . .
O5 C45 O7 124.0(6) . .
O6 C45 O7 116.7(6) . .
O5 C45 Ho1 178.0(5) . .
O6 C45 Ho1 58.9(3) . .
O7 C45 Ho1 57.9(4) . .
O12 C46 O11 130.7(12) . .
O12 C46 H46 114.6 . .
O11 C46 H46 114.6 . .
O8 C47 O10 125.0(7) . .
O8 C47 O9 122.5(7) . .
O10 C47 O9 112.4(7) . .
N7 C48 H48A 109.5 . .
N7 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
N7 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N7 C49 H49A 109.5 . .
N7 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
N7 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
O14 C50 N7 121.1(11) . .
O14 C50 H50 119.4 . .
N7 C50 H50 119.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O3 2.286(5) 4_656
Ho1 O9 2.304(5) .
Ho1 O13 2.331(6) .
Ho1 O7 2.336(4) 3_545
Ho1 O1 2.385(5) 2_444
Ho1 O7 2.423(5) .
Ho1 O2 2.435(5) 2_444
Ho1 O6 2.446(5) .
Ho1 C22 2.769(7) 2_444
Ho1 C45 2.848(7) .
Ho1 Ho1 3.9163(7) 3_545
Co3 N2 2.060(6) .
Co3 O5 2.073(5) .
Co3 O9 2.094(5) 3_545
Co3 O10 2.130(5) 3_545
Co3 N3 2.158(6) .
Co3 N1 2.167(6) .
Co4 O12 2.028(7) .
Co4 N5 2.058(6) .
Co4 O6 2.088(5) .
Co4 N4 2.127(6) .
Co4 N6 2.179(6) .
Co4 O5 2.278(5) .
O1 C22 1.277(8) .
O1 Ho1 2.385(5) 2_454
O2 C22 1.258(8) .
O2 Ho1 2.435(5) 2_454
O3 C44 1.274(9) .
O3 Ho1 2.286(5) 4_455
O4 C44 1.244(9) .
O5 C45 1.262(8) .
O6 C45 1.282(8) .
O7 C45 1.288(8) .
O7 Ho1 2.336(4) 3_545
O8 C47 1.229(9) .
O9 C47 1.351(9) .
O9 Co3 2.094(5) 3_545
O10 C47 1.287(9) .
O10 Co3 2.130(5) 3_545
O11 C46 1.275(12) .
O12 C46 1.149(12) .
O13 H13A 0.85(2) .
O13 H13B 0.85(2) .
O14 C50 1.195(11) .
O15 H15A 0.85(2) .
O15 H15B 0.83(2) .
N1 C1 1.344(9) .
N1 C5 1.345(9) .
N2 C10 1.342(8) .
N2 C6 1.353(9) .
N3 C15 1.336(9) .
N3 C11 1.357(9) .
N4 C33 1.345(9) .
N4 C37 1.349(8) .
N5 C32 1.340(9) .
N5 C28 1.346(9) .
N6 C23 1.345(9) .
N6 C27 1.351(9) .
N7 C50 1.390(12) .
N7 C49 1.463(13) .
N7 C48 1.476(11) .
C1 C2 1.374(10) .
C1 H1 0.9300 .
C2 C3 1.388(10) .
C2 H2 0.9300 .
C3 C4 1.389(10) .
C3 H3 0.9300 .
C4 C5 1.381(10) .
C4 H4 0.9300 .
C5 C6 1.498(9) .
C6 C7 1.357(9) .
C7 C8 1.399(10) .
C7 H7 0.9300 .
C8 C9 1.416(10) .
C8 C16 1.477(10) .
C9 C10 1.378(10) .
C9 H9 0.9300 .
C10 C11 1.490(10) .
C11 C12 1.381(10) .
C12 C13 1.378(11) .
C12 H12 0.9300 .
C13 C14 1.380(11) .
C13 H13 0.9300 .
C14 C15 1.386(11) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.403(10) .
C16 C21 1.407(10) .
C17 C18 1.376(10) .
C17 H17 0.9300 .
C18 C19 1.386(10) .
C18 H18 0.9300 .
C19 C20 1.389(10) .
C19 C22 1.492(10) .
C20 C21 1.372(10) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 Ho1 2.769(7) 2_454
C23 C24 1.388(11) .
C23 H23 0.9300 .
C24 C25 1.366(11) .
C24 H24 0.9300 .
C25 C26 1.379(11) .
C25 H25 0.9300 .
C26 C27 1.374(10) .
C26 H26 0.9300 .
C27 C28 1.501(10) .
C28 C29 1.376(9) .
C29 C30 1.401(10) .
C29 H29 0.9300 .
C30 C31 1.398(9) .
C30 C38 1.477(10) .
C31 C32 1.393(10) .
C31 H31 0.9300 .
C32 C33 1.499(10) .
C33 C34 1.378(10) .
C34 C35 1.396(10) .
C34 H34 0.9300 .
C35 C36 1.386(10) .
C35 H35 0.9300 .
C36 C37 1.385(10) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.394(10) .
C38 C43 1.405(10) .
C39 C40 1.393(10) .
C39 H39 0.9300 .
C40 C41 1.381(10) .
C40 H40 0.9300 .
C41 C42 1.400(10) .
C41 C44 1.519(10) .
C42 C43 1.388(9) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C46 H46 0.9300 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 H50 0.9300 .
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
N2 Co3 O5 C45 -175.1(6) . .
O9 Co3 O5 C45 10.9(6) 3_545 .
O10 Co3 O5 C45 -13.5(10) 3_545 .
N3 Co3 O5 C45 -99.6(6) . .
N1 Co3 O5 C45 108.6(6) . .
N2 Co3 O5 Co4 -0.3(4) . .
O9 Co3 O5 Co4 -174.2(4) 3_545 .
O10 Co3 O5 Co4 161.3(4) 3_545 .
N3 Co3 O5 Co4 75.2(4) . .
N1 Co3 O5 Co4 -76.6(4) . .
O12 Co4 O5 C45 12.2(8) . .
N5 Co4 O5 C45 174.2(4) . .
O6 Co4 O5 C45 -5.0(4) . .
N4 Co4 O5 C45 -113.0(4) . .
N6 Co4 O5 C45 100.3(4) . .
O12 Co4 O5 Co3 -163.9(5) . .
N5 Co4 O5 Co3 -1.9(5) . .
O6 Co4 O5 Co3 178.8(5) . .
N4 Co4 O5 Co3 70.8(4) . .
N6 Co4 O5 Co3 -75.8(4) . .
O12 Co4 O6 C45 -168.3(4) . .
N5 Co4 O6 C45 -1(2) . .
N4 Co4 O6 C45 82.9(4) . .
N6 Co4 O6 C45 -77.1(4) . .
O5 Co4 O6 C45 4.9(4) . .
O12 Co4 O6 Ho1 -32.3(13) . .
N5 Co4 O6 Ho1 134.8(17) . .
N4 Co4 O6 Ho1 -141.1(12) . .
N6 Co4 O6 Ho1 58.8(13) . .
O5 Co4 O6 Ho1 140.9(13) . .
O3 Ho1 O6 C45 -103.8(4) 4_656 .
O9 Ho1 O6 C45 -163.8(4) . .
O13 Ho1 O6 C45 174.8(4) . .
O7 Ho1 O6 C45 -27.8(4) 3_545 .
O1 Ho1 O6 C45 92.3(4) 2_444 .
O7 Ho1 O6 C45 1.5(4) . .
O2 Ho1 O6 C45 58.5(4) 2_444 .
C22 Ho1 O6 C45 76.9(4) 2_444 .
Ho1 Ho1 O6 C45 -13.7(4) 3_545 .
O3 Ho1 O6 Co4 120.3(12) 4_656 .
O9 Ho1 O6 Co4 60.3(14) . .
O13 Ho1 O6 Co4 39.0(12) . .
O7 Ho1 O6 Co4 -163.7(12) 3_545 .
O1 Ho1 O6 Co4 -43.6(12) 2_444 .
O7 Ho1 O6 Co4 -134.3(13) . .
O2 Ho1 O6 Co4 -77.3(12) 2_444 .
C22 Ho1 O6 Co4 -59.0(12) 2_444 .
C45 Ho1 O6 Co4 -135.9(14) . .
Ho1 Ho1 O6 Co4 -149.5(12) 3_545 .
O3 Ho1 O7 C45 72.8(4) 4_656 .
O9 Ho1 O7 C45 166.7(4) . .
O13 Ho1 O7 C45 -10.2(5) . .
O7 Ho1 O7 C45 150.6(5) 3_545 .
O1 Ho1 O7 C45 -79.6(4) 2_444 .
O2 Ho1 O7 C45 -134.3(4) 2_444 .
O6 Ho1 O7 C45 -1.5(4) . .
C22 Ho1 O7 C45 -107.2(4) 2_444 .
Ho1 Ho1 O7 C45 150.6(5) 3_545 .
O3 Ho1 O7 Ho1 -77.8(2) 4_656 3_545
O9 Ho1 O7 Ho1 16.1(4) . 3_545
O13 Ho1 O7 Ho1 -160.79(19) . 3_545
O7 Ho1 O7 Ho1 0.0 3_545 3_545
O1 Ho1 O7 Ho1 129.8(2) 2_444 3_545
O2 Ho1 O7 Ho1 75.1(2) 2_444 3_545
O6 Ho1 O7 Ho1 -152.1(3) . 3_545
C22 Ho1 O7 Ho1 102.2(2) 2_444 3_545
C45 Ho1 O7 Ho1 -150.6(5) . 3_545
O3 Ho1 O9 C47 -71.1(6) 4_656 .
O13 Ho1 O9 C47 9.4(6) . .
O7 Ho1 O9 C47 -153.0(7) 3_545 .
O1 Ho1 O9 C47 85.0(7) 2_444 .
O7 Ho1 O9 C47 -168.2(6) . .
O2 Ho1 O9 C47 131.5(7) 2_444 .
O6 Ho1 O9 C47 -11.8(9) . .
C22 Ho1 O9 C47 108.4(7) 2_444 .
C45 Ho1 O9 C47 -114.4(15) . .
Ho1 Ho1 O9 C47 -158.3(6) 3_545 .
O3 Ho1 O9 Co3 93.1(3) 4_656 3_545
O13 Ho1 O9 Co3 173.6(3) . 3_545
O7 Ho1 O9 Co3 11.2(3) 3_545 3_545
O1 Ho1 O9 Co3 -110.8(3) 2_444 3_545
O7 Ho1 O9 Co3 -4.1(5) . 3_545
O2 Ho1 O9 Co3 -64.3(3) 2_444 3_545
O6 Ho1 O9 Co3 152.4(3) . 3_545
C22 Ho1 O9 Co3 -87.4(3) 2_444 3_545
C45 Ho1 O9 Co3 49.8(16) . 3_545
Ho1 Ho1 O9 Co3 5.9(3) 3_545 3_545
N5 Co4 O12 C46 -139.4(9) . .
O6 Co4 O12 C46 39.1(9) . .
N4 Co4 O12 C46 145.9(9) . .
N6 Co4 O12 C46 -64.1(9) . .
O5 Co4 O12 C46 24.1(13) . .
N2 Co3 N1 C1 176.7(7) . .
O5 Co3 N1 C1 -92.1(6) . .
O9 Co3 N1 C1 8.8(6) 3_545 .
O10 Co3 N1 C1 71.5(6) 3_545 .
N3 Co3 N1 C1 168.6(6) . .
N2 Co3 N1 C5 -0.4(5) . .
O5 Co3 N1 C5 90.8(5) . .
O9 Co3 N1 C5 -168.3(5) 3_545 .
O10 Co3 N1 C5 -105.6(5) 3_545 .
N3 Co3 N1 C5 -8.5(8) . .
O5 Co3 N2 C10 85.9(5) . .
O9 Co3 N2 C10 -119.1(9) 3_545 .
O10 Co3 N2 C10 -87.8(5) 3_545 .
N3 Co3 N2 C10 -1.1(5) . .
N1 Co3 N2 C10 -177.1(6) . .
O5 Co3 N2 C6 -96.1(6) . .
O9 Co3 N2 C6 59.0(12) 3_545 .
O10 Co3 N2 C6 90.2(6) 3_545 .
N3 Co3 N2 C6 176.9(6) . .
N1 Co3 N2 C6 0.9(5) . .
N2 Co3 N3 C15 179.1(7) . .
O5 Co3 N3 C15 85.5(7) . .
O9 Co3 N3 C15 -14.3(7) 3_545 .
O10 Co3 N3 C15 -75.1(7) 3_545 .
N1 Co3 N3 C15 -172.8(6) . .
N2 Co3 N3 C11 2.6(5) . .
O5 Co3 N3 C11 -91.1(5) . .
O9 Co3 N3 C11 169.1(5) 3_545 .
O10 Co3 N3 C11 108.4(5) 3_545 .
N1 Co3 N3 C11 10.7(8) . .
O12 Co4 N4 C33 77.2(6) . .
N5 Co4 N4 C33 -7.7(5) . .
O6 Co4 N4 C33 179.3(5) . .
N6 Co4 N4 C33 -37.6(7) . .
O5 Co4 N4 C33 -122.5(5) . .
O12 Co4 N4 C37 -102.0(6) . .
N5 Co4 N4 C37 173.1(6) . .
O6 Co4 N4 C37 0.1(6) . .
N6 Co4 N4 C37 143.2(6) . .
O5 Co4 N4 C37 58.3(6) . .
O12 Co4 N5 C32 -95.4(6) . .
O6 Co4 N5 C32 97.3(19) . .
N4 Co4 N5 C32 11.6(6) . .
N6 Co4 N5 C32 175.0(6) . .
O5 Co4 N5 C32 91.6(6) . .
O12 Co4 N5 C28 75.7(5) . .
O6 Co4 N5 C28 -91.6(19) . .
N4 Co4 N5 C28 -177.3(6) . .
N6 Co4 N5 C28 -13.9(5) . .
O5 Co4 N5 C28 -97.3(5) . .
O12 Co4 N6 C23 91.8(7) . .
N5 Co4 N6 C23 -178.8(7) . .
O6 Co4 N6 C23 -5.7(7) . .
N4 Co4 N6 C23 -148.9(6) . .
O5 Co4 N6 C23 -64.9(7) . .
O12 Co4 N6 C27 -74.5(6) . .
N5 Co4 N6 C27 14.9(5) . .
O6 Co4 N6 C27 -171.9(5) . .
N4 Co4 N6 C27 44.9(8) . .
O5 Co4 N6 C27 128.9(6) . .
C5 N1 C1 C2 1.4(11) . .
Co3 N1 C1 C2 -175.6(6) . .
N1 C1 C2 C3 -1.3(12) . .
C1 C2 C3 C4 1.1(11) . .
C2 C3 C4 C5 -1.0(11) . .
C1 N1 C5 C4 -1.4(11) . .
Co3 N1 C5 C4 176.0(6) . .
C1 N1 C5 C6 -177.4(6) . .
Co3 N1 C5 C6 0.0(8) . .
C3 C4 C5 N1 1.2(12) . .
C3 C4 C5 C6 176.9(7) . .
C10 N2 C6 C7 0.6(11) . .
Co3 N2 C6 C7 -177.4(5) . .
C10 N2 C6 C5 176.9(6) . .
Co3 N2 C6 C5 -1.2(8) . .
N1 C5 C6 N2 0.8(9) . .
C4 C5 C6 N2 -175.2(7) . .
N1 C5 C6 C7 176.9(7) . .
C4 C5 C6 C7 0.9(12) . .
N2 C6 C7 C8 1.4(11) . .
C5 C6 C7 C8 -174.3(7) . .
C6 C7 C8 C9 -2.8(10) . .
C6 C7 C8 C16 171.0(7) . .
C7 C8 C9 C10 2.3(11) . .
C16 C8 C9 C10 -171.6(7) . .
C6 N2 C10 C9 -1.2(11) . .
Co3 N2 C10 C9 176.9(6) . .
C6 N2 C10 C11 -178.4(7) . .
Co3 N2 C10 C11 -0.3(8) . .
C8 C9 C10 N2 -0.3(11) . .
C8 C9 C10 C11 176.6(7) . .
C15 N3 C11 C12 2.2(11) . .
Co3 N3 C11 C12 179.0(6) . .
C15 N3 C11 C10 179.7(7) . .
Co3 N3 C11 C10 -3.5(8) . .
N2 C10 C11 N3 2.5(9) . .
C9 C10 C11 N3 -174.6(7) . .
N2 C10 C11 C12 179.9(7) . .
C9 C10 C11 C12 2.8(12) . .
N3 C11 C12 C13 -1.9(12) . .
C10 C11 C12 C13 -179.1(8) . .
C11 C12 C13 C14 0.3(13) . .
C12 C13 C14 C15 0.9(13) . .
C11 N3 C15 C14 -1.0(12) . .
Co3 N3 C15 C14 -177.5(6) . .
C13 C14 C15 N3 -0.6(13) . .
C7 C8 C16 C17 160.8(7) . .
C9 C8 C16 C17 -25.7(11) . .
C7 C8 C16 C21 -22.2(10) . .
C9 C8 C16 C21 151.4(7) . .
C21 C16 C17 C18 0.6(11) . .
C8 C16 C17 C18 177.7(7) . .
C16 C17 C18 C19 -1.7(12) . .
C17 C18 C19 C20 1.5(11) . .
C17 C18 C19 C22 -177.5(7) . .
C18 C19 C20 C21 -0.2(11) . .
C22 C19 C20 C21 178.9(7) . .
C19 C20 C21 C16 -0.8(11) . .
C17 C16 C21 C20 0.7(11) . .
C8 C16 C21 C20 -176.6(7) . .
Ho1 O2 C22 O1 -3.0(7) 2_454 .
Ho1 O2 C22 C19 174.2(6) 2_454 .
Ho1 O1 C22 O2 3.1(8) 2_454 .
Ho1 O1 C22 C19 -174.2(6) 2_454 .
C18 C19 C22 O2 -2.6(11) . .
C20 C19 C22 O2 178.3(7) . .
C18 C19 C22 O1 174.6(7) . .
C20 C19 C22 O1 -4.4(11) . .
C18 C19 C22 Ho1 113(5) . 2_454
C20 C19 C22 Ho1 -66(5) . 2_454
C27 N6 C23 C24 -0.4(12) . .
Co4 N6 C23 C24 -166.2(6) . .
N6 C23 C24 C25 0.9(13) . .
C23 C24 C25 C26 -0.2(14) . .
C24 C25 C26 C27 -1.0(13) . .
C23 N6 C27 C26 -0.9(12) . .
Co4 N6 C27 C26 166.6(6) . .
C23 N6 C27 C28 178.3(7) . .
Co4 N6 C27 C28 -14.2(9) . .
C25 C26 C27 N6 1.6(13) . .
C25 C26 C27 C28 -177.6(8) . .
C32 N5 C28 C29 -0.9(11) . .
Co4 N5 C28 C29 -172.0(5) . .
C32 N5 C28 C27 -178.3(7) . .
Co4 N5 C28 C27 10.6(8) . .
N6 C27 C28 N5 3.2(10) . .
C26 C27 C28 N5 -177.6(7) . .
N6 C27 C28 C29 -174.0(7) . .
C26 C27 C28 C29 5.2(12) . .
N5 C28 C29 C30 3.0(11) . .
C27 C28 C29 C30 -179.9(7) . .
C28 C29 C30 C31 -2.9(11) . .
C28 C29 C30 C38 178.2(7) . .
C29 C30 C31 C32 0.9(10) . .
C38 C30 C31 C32 179.8(7) . .
C28 N5 C32 C31 -1.1(11) . .
Co4 N5 C32 C31 170.0(6) . .
C28 N5 C32 C33 175.8(6) . .
Co4 N5 C32 C33 -13.1(9) . .
C30 C31 C32 N5 1.1(11) . .
C30 C31 C32 C33 -175.4(7) . .
C37 N4 C33 C34 -2.2(11) . .
Co4 N4 C33 C34 178.6(6) . .
C37 N4 C33 C32 -177.2(6) . .
Co4 N4 C33 C32 3.5(8) . .
N5 C32 C33 N4 5.7(9) . .
C31 C32 C33 N4 -177.5(7) . .
N5 C32 C33 C34 -169.4(7) . .
C31 C32 C33 C34 7.4(12) . .
N4 C33 C34 C35 2.2(12) . .
C32 C33 C34 C35 176.8(7) . .
C33 C34 C35 C36 -1.6(11) . .
C34 C35 C36 C37 1.2(11) . .
C33 N4 C37 C36 1.7(11) . .
Co4 N4 C37 C36 -179.1(6) . .
C35 C36 C37 N4 -1.3(11) . .
C31 C30 C38 C39 152.6(7) . .
C29 C30 C38 C39 -28.6(11) . .
C31 C30 C38 C43 -28.5(11) . .
C29 C30 C38 C43 150.3(7) . .
C43 C38 C39 C40 2.7(11) . .
C30 C38 C39 C40 -178.4(7) . .
C38 C39 C40 C41 -2.8(12) . .
C39 C40 C41 C42 0.5(11) . .
C39 C40 C41 C44 -179.4(7) . .
C40 C41 C42 C43 1.9(11) . .
C44 C41 C42 C43 -178.2(7) . .
C41 C42 C43 C38 -2.0(11) . .
C39 C38 C43 C42 -0.3(11) . .
C30 C38 C43 C42 -179.2(7) . .
Ho1 O3 C44 O4 13.1(12) 4_455 .
Ho1 O3 C44 C41 -166.9(5) 4_455 .
C40 C41 C44 O4 -21.3(11) . .
C42 C41 C44 O4 158.8(7) . .
C40 C41 C44 O3 158.7(7) . .
C42 C41 C44 O3 -21.2(11) . .
Co3 O5 C45 O6 -175.1(4) . .
Co4 O5 C45 O6 8.1(6) . .
Co3 O5 C45 O7 6.9(10) . .
Co4 O5 C45 O7 -169.9(6) . .
Co3 O5 C45 Ho1 -156(15) . .
Co4 O5 C45 Ho1 27(15) . .
Co4 O6 C45 O5 -8.9(7) . .
Ho1 O6 C45 O5 179.2(6) . .
Co4 O6 C45 O7 169.3(5) . .
Ho1 O6 C45 O7 -2.6(6) . .
Co4 O6 C45 Ho1 171.9(3) . .
Ho1 O7 C45 O5 -46.2(11) 3_545 .
Ho1 O7 C45 O5 -179.3(6) . .
Ho1 O7 C45 O6 135.7(6) 3_545 .
Ho1 O7 C45 O6 2.6(6) . .
Ho1 O7 C45 Ho1 133.1(7) 3_545 .
O3 Ho1 C45 O5 54(15) 4_656 .
O9 Ho1 C45 O5 98(15) . .
O13 Ho1 C45 O5 -25(15) . .
O7 Ho1 C45 O5 136(15) 3_545 .
O1 Ho1 C45 O5 -101(15) 2_444 .
O7 Ho1 C45 O5 163(16) . .
O2 Ho1 C45 O5 -150(15) 2_444 .
O6 Ho1 C45 O5 -20(15) . .
C22 Ho1 C45 O5 -125(15) 2_444 .
Ho1 Ho1 C45 O5 144(15) 3_545 .
O3 Ho1 C45 O6 74.1(4) 4_656 .
O9 Ho1 C45 O6 117.2(14) . .
O13 Ho1 C45 O6 -5.2(4) . .
O7 Ho1 C45 O6 155.4(4) 3_545 .
O1 Ho1 C45 O6 -81.5(4) 2_444 .
O7 Ho1 C45 O6 -177.3(6) . .
O2 Ho1 C45 O6 -130.1(4) 2_444 .
C22 Ho1 C45 O6 -105.5(4) 2_444 .
Ho1 Ho1 C45 O6 164.0(4) 3_545 .
O3 Ho1 C45 O7 -108.6(4) 4_656 .
O9 Ho1 C45 O7 -65.5(16) . .
O13 Ho1 C45 O7 172.1(4) . .
O7 Ho1 C45 O7 -27.4(5) 3_545 .
O1 Ho1 C45 O7 95.8(4) 2_444 .
O2 Ho1 C45 O7 47.1(4) 2_444 .
O6 Ho1 C45 O7 177.3(6) . .
C22 Ho1 C45 O7 71.7(4) 2_444 .
Ho1 Ho1 C45 O7 -18.7(3) 3_545 .
Co4 O12 C46 O11 171.4(9) . .
Co3 O10 C47 O8 -179.3(7) 3_545 .
Co3 O10 C47 O9 -0.3(6) 3_545 .
Co3 O9 C47 O8 179.3(7) 3_545 .
Ho1 O9 C47 O8 -12.7(12) . .
Co3 O9 C47 O10 0.3(6) 3_545 .
Ho1 O9 C47 O10 168.3(4) . .
C49 N7 C50 O14 -179.4(9) . .
C48 N7 C50 O14 -0.1(15) . .
