#------------------------------------------------------------------------------
#$Date: 2019-09-23 12:48:42 +0300 (Mon, 23 Sep 2019) $
#$Revision: 218742 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/09/4340975.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_4340975
loop_
_publ_author_name
'Zhao, Fang-Hua'
'Li, Hui'
'Che, Yun-Xia'
'Zheng, Ji-Min'
'Vieru, Veacheslav'
'Chibotaru, Liviu F.'
'Grandjean, Fernande'
'Long, Gary J.'
_publ_section_title
;
 Synthesis, structure, and magnetic properties of Dy₂Co₂L₁₀(bipy)₂
 and Ln₂Ni₂L₁₀(bipy)₂, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic
 relaxation in Dy₂Co₂L₁₀(bipy)₂ and Dy₂Ni₂L₁₀(bipy)₂
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   18
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9785
_journal_page_last               9799
_journal_paper_doi               10.1021/ic501374q
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C90 H46 Cl20 Ho2 N4 Ni2 O20'
_chemical_formula_weight         2659.59
_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                 130.986(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.404(4)
_cell_length_b                   13.004(3)
_cell_length_c                   27.060(8)
_cell_measurement_reflns_used    38961
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.502
_cell_measurement_theta_min      3.135
_cell_volume                     4889(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            45978
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    2.598
_exptl_absorpt_correction_T_max  0.6246
_exptl_absorpt_correction_T_min  0.6246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         11176
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0293
_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)+(0.0329P)²+4.0593P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0744
_reflns_number_gt                9617
_reflns_number_total             11176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501374q_si_001.cif
_cod_data_source_block           6Ho2Ni2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

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

 Adding full bibliography for 4340970--4340975.cif.

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-23
;
_cod_original_cell_volume        4889(2)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4340975
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 0.3877(2) 0.5270(3) -0.07244(16) 0.0359(7) Uani 1 1 d .
H1 H 0.3570 0.4620 -0.0836 0.043 Uiso 1 1 calc R
C2 C 0.4510(3) 0.5445(3) -0.08341(19) 0.0445(8) Uani 1 1 d .
H2 H 0.4627 0.4929 -0.1023 0.053 Uiso 1 1 calc R
C3 C 0.4953(3) 0.6372(4) -0.0663(2) 0.0629(12) Uani 1 1 d .
H3 H 0.5392 0.6513 -0.0728 0.075 Uiso 1 1 calc R
C4 C 0.4762(3) 0.7117(3) -0.0393(2) 0.0616(12) Uani 1 1 d .
H4 H 0.5082 0.7762 -0.0261 0.074 Uiso 1 1 calc R
C5 C 0.4103(2) 0.6911(3) -0.03195(17) 0.0377(7) Uani 1 1 d .
C6 C 0.3803(3) 0.7659(3) -0.00702(18) 0.0404(8) Uani 1 1 d .
C7 C 0.4119(3) 0.8672(3) 0.0085(2) 0.0599(11) Uani 1 1 d .
H7 H 0.4571 0.8915 0.0051 0.072 Uiso 1 1 calc R
C8 C 0.3767(4) 0.9321(3) 0.0290(2) 0.0629(12) Uani 1 1 d .
H8 H 0.3983 1.0013 0.0404 0.075 Uiso 1 1 calc R
C9 C 0.3118(3) 0.8971(3) 0.0327(2) 0.0581(11) Uani 1 1 d .
H9 H 0.2858 0.9416 0.0456 0.070 Uiso 1 1 calc R
C10 C 0.2834(3) 0.7951(3) 0.01755(19) 0.0502(9) Uani 1 1 d .
H10 H 0.2386 0.7702 0.0212 0.060 Uiso 1 1 calc R
C39 C 0.1910(2) 0.3740(2) -0.06168(15) 0.0295(6) Uani 1 1 d .
C40 C 0.1891(2) 0.2625(2) -0.07720(15) 0.0320(7) Uani 1 1 d .
C45 C 0.2508(2) 0.2285(2) -0.08725(17) 0.0369(7) Uani 1 1 d .
H45 H 0.2946 0.2747 -0.0830 0.044 Uiso 1 1 calc R
C44 C 0.2466(3) 0.1265(3) -0.10349(18) 0.0417(8) Uani 1 1 d .
C43 C 0.1854(3) 0.0581(3) -0.10874(19) 0.0450(8) Uani 1 1 d .
H43 H 0.1834 -0.0117 -0.1199 0.054 Uiso 1 1 calc R
C42 C 0.1261(3) 0.0929(3) -0.09732(18) 0.0423(8) Uani 1 1 d .
C41 C 0.1265(2) 0.1946(3) -0.08284(17) 0.0381(7) Uani 1 1 d .
H41 H 0.0839 0.2177 -0.0768 0.046 Uiso 1 1 calc R
C25 C 0.1388(2) 0.3964(2) 0.10191(15) 0.0288(6) Uani 1 1 d .
C26 C 0.2276(2) 0.3310(2) 0.13813(16) 0.0302(6) Uani 1 1 d .
C27 C 0.2569(2) 0.2958(2) 0.10471(17) 0.0335(7) Uani 1 1 d .
H27 H 0.2213 0.3128 0.0600 0.040 Uiso 1 1 calc R
C28 C 0.3385(2) 0.2357(2) 0.13809(19) 0.0387(8) Uani 1 1 d .
C29 C 0.3933(2) 0.2117(3) 0.2040(2) 0.0446(9) Uani 1 1 d .
H29 H 0.4501 0.1714 0.2266 0.053 Uiso 1 1 calc R
C30 C 0.3628(2) 0.2483(3) 0.23534(17) 0.0412(8) Uani 1 1 d .
C31 C 0.2802(2) 0.3070(3) 0.20326(16) 0.0371(7) Uani 1 1 d .
H31 H 0.2599 0.3304 0.2258 0.045 Uiso 1 1 calc R
C18 C 0.3196(2) 0.5473(2) 0.07970(15) 0.0306(6) Uani 1 1 d .
C19 C 0.3667(2) 0.5318(2) 0.14953(15) 0.0311(6) Uani 1 1 d .
C20 C 0.4512(2) 0.4745(3) 0.18883(17) 0.0377(7) Uani 1 1 d .
H20 H 0.4789 0.4484 0.1716 0.045 Uiso 1 1 calc R
C21 C 0.4945(3) 0.4560(3) 0.25359(18) 0.0450(9) Uani 1 1 d .
C22 C 0.4584(3) 0.4952(3) 0.28009(18) 0.0488(9) Uani 1 1 d .
H22 H 0.4895 0.4827 0.3246 0.059 Uiso 1 1 calc R
C23 C 0.3761(3) 0.5533(3) 0.2411(2) 0.0500(9) Uani 1 1 d .
C24 C 0.3284(3) 0.5718(3) 0.17579(18) 0.0415(8) Uani 1 1 d .
H24 H 0.2707 0.6111 0.1495 0.050 Uiso 1 1 calc R
C32 C 0.0699(2) 0.6761(2) 0.06236(16) 0.0286(6) Uani 1 1 d .
C33 C 0.1089(2) 0.7750(2) 0.09969(16) 0.0306(6) Uani 1 1 d .
C34 C 0.1183(3) 0.8607(3) 0.07371(19) 0.0407(8) Uani 1 1 d .
H34 H 0.1000 0.8581 0.0317 0.049 Uiso 1 1 calc R
C35 C 0.1549(3) 0.9495(3) 0.1102(2) 0.0473(9) Uani 1 1 d .
C36 C 0.1848(3) 0.9553(3) 0.1713(2) 0.0555(11) Uani 1 1 d .
H36 H 0.2118 1.0171 0.1960 0.067 Uiso 1 1 calc R
C37 C 0.1751(3) 0.8686(3) 0.19687(19) 0.0525(10) Uani 1 1 d .
C38 C 0.1365(3) 0.7794(3) 0.16093(17) 0.0422(8) Uani 1 1 d .
H38 H 0.1289 0.7210 0.1782 0.051 Uiso 1 1 calc R
C11 C 0.0963(2) 0.6616(2) -0.13190(15) 0.0289(6) Uani 1 1 d .
C12 C 0.0346(2) 0.7406(2) -0.18379(15) 0.0312(6) Uani 1 1 d .
C13 C 0.0714(2) 0.7998(2) -0.20558(16) 0.0359(7) Uani 1 1 d .
H13 H 0.1344 0.7873 -0.1898 0.043 Uiso 1 1 calc R
C14 C 0.0155(3) 0.8768(2) -0.25040(17) 0.0380(7) Uani 1 1 d .
C15 C -0.0768(3) 0.8948(3) -0.27639(16) 0.0392(8) Uani 1 1 d .
H15 H -0.1146 0.9478 -0.3076 0.047 Uiso 1 1 calc R
C16 C -0.1133(2) 0.8323(2) -0.25531(16) 0.0362(7) Uani 1 1 d .
C17 C -0.0584(2) 0.7568(2) -0.20807(15) 0.0330(7) Uani 1 1 d .
H17 H -0.0836 0.7174 -0.1928 0.040 Uiso 1 1 calc R
Cl5 Cl 0.37463(9) 0.18946(8) 0.09691(6) 0.0654(3) Uani 1 1 d .
Cl9 Cl 0.05071(10) 0.00494(9) -0.10257(8) 0.0736(4) Uani 1 1 d .
Cl10 Cl 0.32175(10) 0.08359(9) -0.11672(7) 0.0749(4) Uani 1 1 d .
Cl7 Cl 0.16346(12) 1.05875(8) 0.07730(8) 0.0872(4) Uani 1 1 d .
Cl2 Cl -0.23189(6) 0.84841(7) -0.28891(5) 0.0479(2) Uani 1 1 d .
Cl1 Cl 0.06457(8) 0.95331(8) -0.27537(5) 0.0599(3) Uani 1 1 d .
Cl3 Cl 0.59776(8) 0.38046(11) 0.30095(6) 0.0782(4) Uani 1 1 d .
Cl4 Cl 0.32935(13) 0.60262(15) 0.27481(8) 0.1035(5) Uani 1 1 d .
Cl6 Cl 0.43486(7) 0.22445(10) 0.31895(5) 0.0683(3) Uani 1 1 d .
Cl8 Cl 0.20753(14) 0.87321(11) 0.27302(7) 0.0995(5) Uani 1 1 d .
Ho1 Ho 0.061494(9) 0.526535(9) -0.039224(6) 0.02169(4) Uani 1 1 d .
N1 N 0.36909(17) 0.59787(19) -0.04696(12) 0.0294(5) Uani 1 1 d .
N2 N 0.3163(2) 0.7310(2) -0.00192(14) 0.0388(6) Uani 1 1 d .
Ni1 Ni 0.27697(3) 0.57908(3) -0.030534(19) 0.02735(9) Uani 1 1 d .
O10 O 0.24923(17) 0.43107(16) -0.05787(12) 0.0372(5) Uani 1 1 d .
O9 O 0.13447(17) 0.40216(16) -0.05382(13) 0.0395(5) Uani 1 1 d .
O3 O 0.37180(17) 0.53523(18) 0.06509(12) 0.0402(5) Uani 1 1 d .
O4 O 0.23248(15) 0.57297(18) 0.03702(11) 0.0382(5) Uani 1 1 d .
O6 O 0.11093(16) 0.44111(16) 0.05035(11) 0.0355(5) Uani 1 1 d .
O5 O 0.09515(15) 0.40256(18) 0.12237(11) 0.0364(5) Uani 1 1 d .
O7 O 0.07068(16) 0.66486(16) 0.01614(11) 0.0341(5) Uani 1 1 d .
O8 O 0.04056(16) 0.61167(16) 0.07987(11) 0.0357(5) Uani 1 1 d .
O1 O 0.17008(16) 0.63256(19) -0.12169(11) 0.0396(5) Uani 1 1 d .
O2 O 0.07322(16) 0.63029(17) -0.10020(11) 0.0352(5) 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'
Ni Ni 0.3393 1.1124 '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'
Cl Cl 0.1484 0.1585 '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
N1 C1 C2 122.3(3) . .
N1 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C3 C2 C1 118.1(3) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 119.7(3) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C5 C4 C3 119.4(4) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
N1 C5 C4 120.6(3) . .
N1 C5 C6 115.1(3) . .
C4 C5 C6 124.3(3) . .
N2 C6 C7 120.5(3) . .
N2 C6 C5 115.8(3) . .
C7 C6 C5 123.6(3) . .
C8 C7 C6 119.2(4) . .
C8 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
C9 C8 C7 119.8(4) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C10 119.0(4) . .
C8 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
N2 C10 C9 122.5(4) . .
N2 C10 H10 118.7 . .
C9 C10 H10 118.7 . .
O9 C39 O10 125.3(3) . .
O9 C39 C40 117.5(3) . .
O10 C39 C40 117.2(3) . .
C41 C40 C45 120.1(3) . .
C41 C40 C39 120.9(3) . .
C45 C40 C39 119.0(3) . .
C44 C45 C40 118.8(3) . .
C44 C45 H45 120.6 . .
C40 C45 H45 120.6 . .
C43 C44 C45 121.7(3) . .
C43 C44 Cl10 118.9(3) . .
C45 C44 Cl10 119.3(3) . .
C44 C43 C42 118.6(3) . .
C44 C43 H43 120.7 . .
C42 C43 H43 120.7 . .
C41 C42 C43 121.2(3) . .
C41 C42 Cl9 120.8(3) . .
C43 C42 Cl9 118.1(3) . .
C40 C41 C42 119.6(3) . .
C40 C41 H41 120.2 . .
C42 C41 H41 120.2 . .
O5 C25 O6 123.2(3) . .
O5 C25 C26 119.5(3) . .
O6 C25 C26 117.3(3) . .
C31 C26 C27 120.5(3) . .
C31 C26 C25 120.9(3) . .
C27 C26 C25 118.7(3) . .
C28 C27 C26 118.5(3) . .
C28 C27 H27 120.7 . .
C26 C27 H27 120.7 . .
C27 C28 C29 121.9(3) . .
C27 C28 Cl5 119.1(3) . .
C29 C28 Cl5 118.9(3) . .
C30 C29 C28 117.9(3) . .
C30 C29 H29 121.1 . .
C28 C29 H29 121.1 . .
C29 C30 C31 122.0(3) . .
C29 C30 Cl6 117.9(3) . .
C31 C30 Cl6 120.0(3) . .
C26 C31 C30 119.2(3) . .
C26 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
O4 C18 O3 121.2(3) . .
O4 C18 C19 122.1(3) . .
O3 C18 C19 116.8(3) . .
C20 C19 C24 119.8(3) . .
C20 C19 C18 118.2(3) . .
C24 C19 C18 122.0(3) . .
C21 C20 C19 119.1(3) . .
C21 C20 H20 120.4 . .
C19 C20 H20 120.4 . .
C22 C21 C20 121.7(4) . .
C22 C21 Cl3 120.0(3) . .
C20 C21 Cl3 118.3(3) . .
C21 C22 C23 118.6(3) . .
C21 C22 H22 120.7 . .
C23 C22 H22 120.7 . .
C22 C23 C24 122.1(3) . .
C22 C23 Cl4 118.6(3) . .
C24 C23 Cl4 119.3(3) . .
C23 C24 C19 118.6(3) . .
C23 C24 H24 120.7 . .
C19 C24 H24 120.7 . .
O8 C32 O7 125.8(3) . .
O8 C32 C33 117.2(3) . .
O7 C32 C33 117.0(3) . .
C38 C33 C34 120.3(3) . .
C38 C33 C32 118.9(3) . .
C34 C33 C32 120.8(3) . .
C35 C34 C33 118.4(3) . .
C35 C34 H34 120.8 . .
C33 C34 H34 120.8 . .
C36 C35 C34 122.6(4) . .
C36 C35 Cl7 118.5(3) . .
C34 C35 Cl7 119.0(3) . .
C35 C36 C37 118.5(3) . .
C35 C36 H36 120.8 . .
C37 C36 H36 120.8 . .
C38 C37 C36 120.4(4) . .
C38 C37 Cl8 119.1(3) . .
C36 C37 Cl8 120.5(3) . .
C37 C38 C33 119.9(3) . .
C37 C38 H38 120.1 . .
C33 C38 H38 120.1 . .
O2 C11 O1 123.9(3) . .
O2 C11 C12 118.6(3) . .
O1 C11 C12 117.5(3) . .
C13 C12 C17 120.6(3) . .
C13 C12 C11 119.9(3) . .
C17 C12 C11 119.4(3) . .
C14 C13 C12 119.1(3) . .
C14 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
C15 C14 C13 122.4(3) . .
C15 C14 Cl1 119.1(3) . .
C13 C14 Cl1 118.5(3) . .
C14 C15 C16 117.4(3) . .
C14 C15 H15 121.3 . .
C16 C15 H15 121.3 . .
C17 C16 C15 122.4(3) . .
C17 C16 Cl2 118.2(3) . .
C15 C16 Cl2 119.4(3) . .
C16 C17 C12 118.1(3) . .
C16 C17 H17 121.0 . .
C12 C17 H17 121.0 . .
O6 Ho1 O2 157.34(8) . .
O6 Ho1 O7 82.98(8) . .
O2 Ho1 O7 90.42(8) . .
O6 Ho1 O8 75.79(8) . 3_565
O2 Ho1 O8 124.12(8) . 3_565
O7 Ho1 O8 128.26(7) . 3_565
O6 Ho1 O9 88.20(9) . .
O2 Ho1 O9 87.01(8) . .
O7 Ho1 O9 150.58(8) . .
O8 Ho1 O9 75.69(8) 3_565 .
O6 Ho1 O5 126.25(8) . 3_565
O2 Ho1 O5 73.43(8) . 3_565
O7 Ho1 O5 80.66(8) . 3_565
O8 Ho1 O5 75.41(8) 3_565 3_565
O9 Ho1 O5 126.17(9) . 3_565
O6 Ho1 O4 79.96(8) . .
O2 Ho1 O4 77.39(8) . .
O7 Ho1 O4 75.58(8) . .
O8 Ho1 O4 142.41(8) 3_565 .
O9 Ho1 O4 75.26(8) . .
O5 Ho1 O4 141.92(8) 3_565 .
C1 N1 C5 119.8(3) . .
C1 N1 Ni1 124.7(2) . .
C5 N1 Ni1 115.4(2) . .
C10 N2 C6 119.0(3) . .
C10 N2 Ni1 127.5(3) . .
C6 N2 Ni1 113.4(2) . .
O10 Ni1 O1 94.11(10) . .
O10 Ni1 N1 94.70(10) . .
O1 Ni1 N1 88.59(10) . .
O10 Ni1 O3 89.92(10) . .
O1 Ni1 O3 170.42(9) . .
N1 Ni1 O3 99.74(10) . .
O10 Ni1 N2 174.70(10) . .
O1 Ni1 N2 87.13(11) . .
N1 Ni1 N2 80.18(11) . .
O3 Ni1 N2 89.65(11) . .
C39 O10 Ni1 126.65(19) . .
C39 O9 Ho1 152.2(2) . .
C18 O3 Ni1 99.7(2) . .
C18 O4 Ho1 150.0(2) . .
C25 O6 Ho1 177.6(2) . .
C25 O5 Ho1 109.80(19) . 3_565
C32 O7 Ho1 134.13(19) . .
C32 O8 Ho1 140.1(2) . 3_565
C11 O1 Ni1 114.8(2) . .
C11 O2 Ho1 159.9(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.324(4) .
C1 C2 1.396(4) .
C1 H1 0.9500 .
C2 C3 1.355(6) .
C2 H2 0.9500 .
C3 C4 1.391(6) .
C3 H3 0.9500 .
C4 C5 1.377(5) .
C4 H4 0.9500 .
C5 N1 1.344(4) .
C5 C6 1.482(5) .
C6 N2 1.351(4) .
C6 C7 1.388(5) .
C7 C8 1.383(6) .
C7 H7 0.9500 .
C8 C9 1.341(6) .
C8 H8 0.9500 .
C9 C10 1.386(5) .
C9 H9 0.9500 .
C10 N2 1.327(4) .
C10 H10 0.9500 .
C39 O9 1.245(3) .
C39 O10 1.251(4) .
C39 C40 1.504(4) .
C40 C41 1.377(4) .
C40 C45 1.401(4) .
C45 C44 1.383(4) .
C45 H45 0.9500 .
C44 C43 1.369(5) .
C44 Cl10 1.732(3) .
C43 C42 1.389(5) .
C43 H43 0.9500 .
C42 C41 1.378(5) .
C42 Cl9 1.731(4) .
C41 H41 0.9500 .
C25 O5 1.241(4) .
C25 O6 1.269(4) .
C25 C26 1.501(4) .
C26 C31 1.380(4) .
C26 C27 1.398(4) .
C27 C28 1.379(5) .
C27 H27 0.9500 .
C28 C29 1.392(5) .
C28 Cl5 1.738(4) .
C29 C30 1.373(5) .
C29 H29 0.9500 .
C30 C31 1.384(5) .
C30 Cl6 1.743(4) .
C31 H31 0.9500 .
C18 O4 1.260(4) .
C18 O3 1.265(4) .
C18 C19 1.488(4) .
C19 C20 1.390(5) .
C19 C24 1.390(5) .
C20 C21 1.390(5) .
C20 H20 0.9500 .
C21 C22 1.356(6) .
C21 Cl3 1.739(4) .
C22 C23 1.373(6) .
C22 H22 0.9500 .
C23 C24 1.386(5) .
C23 Cl4 1.734(4) .
C24 H24 0.9500 .
C32 O8 1.246(4) .
C32 O7 1.269(4) .
C32 C33 1.496(4) .
C33 C38 1.380(5) .
C33 C34 1.388(5) .
C34 C35 1.375(5) .
C34 H34 0.9500 .
C35 C36 1.358(6) .
C35 Cl7 1.739(4) .
C36 C37 1.396(6) .
C36 H36 0.9500 .
C37 C38 1.374(5) .
C37 Cl8 1.730(4) .
C38 H38 0.9500 .
C11 O2 1.249(3) .
C11 O1 1.253(4) .
C11 C12 1.492(4) .
C12 C13 1.387(4) .
C12 C17 1.388(4) .
C13 C14 1.378(5) .
C13 H13 0.9500 .
C14 C15 1.367(5) .
C14 Cl1 1.750(3) .
C15 C16 1.392(5) .
C15 H15 0.9500 .
C16 C17 1.387(4) .
C16 Cl2 1.742(3) .
C17 H17 0.9500 .
Ho1 O6 2.246(2) .
Ho1 O2 2.249(2) .
Ho1 O7 2.275(2) .
Ho1 O8 2.293(2) 3_565
Ho1 O9 2.296(2) .
Ho1 O5 2.391(2) 3_565
Ho1 O4 2.451(2) .
N1 Ni1 2.030(2) .
N2 Ni1 2.071(3) .
Ni1 O10 2.004(2) .
Ni1 O1 2.018(2) .
Ni1 O3 2.035(2) .
O5 Ho1 2.391(2) 3_565
O8 Ho1 2.293(2) 3_565
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
N1 C1 C2 C3 0.9(6) . .
C1 C2 C3 C4 -0.6(7) . .
C2 C3 C4 C5 -1.8(7) . .
C3 C4 C5 N1 4.0(7) . .
C3 C4 C5 C6 -176.7(4) . .
N1 C5 C6 N2 0.6(5) . .
C4 C5 C6 N2 -178.7(4) . .
N1 C5 C6 C7 -177.3(4) . .
C4 C5 C6 C7 3.4(6) . .
N2 C6 C7 C8 -0.3(7) . .
C5 C6 C7 C8 177.5(4) . .
C6 C7 C8 C9 -0.9(7) . .
C7 C8 C9 C10 1.8(7) . .
C8 C9 C10 N2 -1.4(7) . .
O9 C39 C40 C41 0.4(5) . .
O10 C39 C40 C41 -179.5(3) . .
O9 C39 C40 C45 179.1(3) . .
O10 C39 C40 C45 -0.7(5) . .
C41 C40 C45 C44 0.7(5) . .
C39 C40 C45 C44 -178.0(3) . .
C40 C45 C44 C43 -1.2(6) . .
C40 C45 C44 Cl10 179.5(3) . .
C45 C44 C43 C42 0.0(6) . .
Cl10 C44 C43 C42 179.3(3) . .
C44 C43 C42 C41 1.8(6) . .
C44 C43 C42 Cl9 -178.8(3) . .
C45 C40 C41 C42 1.1(5) . .
C39 C40 C41 C42 179.8(3) . .
C43 C42 C41 C40 -2.4(6) . .
Cl9 C42 C41 C40 178.3(3) . .
O5 C25 C26 C31 -22.4(4) . .
O6 C25 C26 C31 159.1(3) . .
O5 C25 C26 C27 158.2(3) . .
O6 C25 C26 C27 -20.3(4) . .
C31 C26 C27 C28 0.7(4) . .
C25 C26 C27 C28 -179.9(3) . .
C26 C27 C28 C29 -1.7(5) . .
C26 C27 C28 Cl5 178.9(2) . .
C27 C28 C29 C30 1.2(5) . .
Cl5 C28 C29 C30 -179.4(3) . .
C28 C29 C30 C31 0.2(5) . .
C28 C29 C30 Cl6 -176.5(3) . .
C27 C26 C31 C30 0.6(5) . .
C25 C26 C31 C30 -178.7(3) . .
C29 C30 C31 C26 -1.1(5) . .
Cl6 C30 C31 C26 175.5(3) . .
O4 C18 C19 C20 160.6(3) . .
O3 C18 C19 C20 -20.5(4) . .
O4 C18 C19 C24 -18.9(5) . .
O3 C18 C19 C24 160.0(3) . .
C24 C19 C20 C21 1.7(5) . .
C18 C19 C20 C21 -177.8(3) . .
C19 C20 C21 C22 -2.3(5) . .
C19 C20 C21 Cl3 177.8(3) . .
C20 C21 C22 C23 1.0(6) . .
Cl3 C21 C22 C23 -179.1(3) . .
C21 C22 C23 C24 0.8(6) . .
C21 C22 C23 Cl4 179.5(3) . .
C22 C23 C24 C19 -1.3(6) . .
Cl4 C23 C24 C19 180.0(3) . .
C20 C19 C24 C23 0.0(5) . .
C18 C19 C24 C23 179.5(3) . .
O8 C32 C33 C38 18.5(4) . .
O7 C32 C33 C38 -160.7(3) . .
O8 C32 C33 C34 -162.2(3) . .
O7 C32 C33 C34 18.6(4) . .
C38 C33 C34 C35 -0.5(5) . .
C32 C33 C34 C35 -179.8(3) . .
C33 C34 C35 C36 2.2(6) . .
C33 C34 C35 Cl7 -177.9(3) . .
C34 C35 C36 C37 -2.2(7) . .
Cl7 C35 C36 C37 178.0(3) . .
C35 C36 C37 C38 0.4(7) . .
C35 C36 C37 Cl8 -177.4(3) . .
C36 C37 C38 C33 1.2(6) . .
Cl8 C37 C38 C33 179.0(3) . .
C34 C33 C38 C37 -1.1(5) . .
C32 C33 C38 C37 178.2(3) . .
O2 C11 C12 C13 160.1(3) . .
O1 C11 C12 C13 -18.1(4) . .
O2 C11 C12 C17 -17.5(4) . .
O1 C11 C12 C17 164.2(3) . .
C17 C12 C13 C14 1.8(5) . .
C11 C12 C13 C14 -175.8(3) . .
C12 C13 C14 C15 -2.7(5) . .
C12 C13 C14 Cl1 178.0(3) . .
C13 C14 C15 C16 0.7(5) . .
Cl1 C14 C15 C16 180.0(3) . .
C14 C15 C16 C17 2.4(5) . .
C14 C15 C16 Cl2 -177.7(3) . .
C15 C16 C17 C12 -3.2(5) . .
Cl2 C16 C17 C12 176.8(2) . .
C13 C12 C17 C16 1.1(5) . .
C11 C12 C17 C16 178.7(3) . .
C2 C1 N1 C5 1.3(5) . .
C2 C1 N1 Ni1 179.2(3) . .
C4 C5 N1 C1 -3.8(5) . .
C6 C5 N1 C1 176.9(3) . .
C4 C5 N1 Ni1 178.1(3) . .
C6 C5 N1 Ni1 -1.2(4) . .
C9 C10 N2 C6 0.2(6) . .
C9 C10 N2 Ni1 -176.9(3) . .
C7 C6 N2 C10 0.7(6) . .
C5 C6 N2 C10 -177.3(3) . .
C7 C6 N2 Ni1 178.2(3) . .
C5 C6 N2 Ni1 0.2(4) . .
C1 N1 Ni1 O10 4.4(3) . .
C5 N1 Ni1 O10 -177.7(2) . .
C1 N1 Ni1 O1 -89.7(3) . .
C5 N1 Ni1 O1 88.3(2) . .
C1 N1 Ni1 O3 95.1(3) . .
C5 N1 Ni1 O3 -86.9(2) . .
C1 N1 Ni1 N2 -177.0(3) . .
C5 N1 Ni1 N2 1.0(2) . .
C10 N2 Ni1 O1 87.5(3) . .
C6 N2 Ni1 O1 -89.7(3) . .
C10 N2 Ni1 N1 176.6(3) . .
C6 N2 Ni1 N1 -0.6(2) . .
C10 N2 Ni1 O3 -83.4(3) . .
C6 N2 Ni1 O3 99.3(3) . .
O9 C39 O10 Ni1 5.9(5) . .
C40 C39 O10 Ni1 -174.3(2) . .
O1 Ni1 O10 C39 -87.5(3) . .
N1 Ni1 O10 C39 -176.4(3) . .
O3 Ni1 O10 C39 83.8(3) . .
O10 C39 O9 Ho1 7.8(7) . .
C40 C39 O9 Ho1 -172.1(3) . .
O6 Ho1 O9 C39 -126.0(5) . .
O2 Ho1 O9 C39 31.8(5) . .
O7 Ho1 O9 C39 -53.8(6) . .
O8 Ho1 O9 C39 158.2(5) 3_565 .
O5 Ho1 O9 C39 98.7(5) 3_565 .
O4 Ho1 O9 C39 -45.9(5) . .
O4 C18 O3 Ni1 4.3(3) . .
C19 C18 O3 Ni1 -174.6(2) . .
O10 Ni1 O3 C18 -100.1(2) . .
N1 Ni1 O3 C18 165.12(19) . .
N2 Ni1 O3 C18 85.2(2) . .
O3 C18 O4 Ho1 100.3(4) . .
C19 C18 O4 Ho1 -80.8(5) . .
O6 Ho1 O4 C18 46.3(4) . .
O2 Ho1 O4 C18 -134.7(4) . .
O7 Ho1 O4 C18 131.6(4) . .
O8 Ho1 O4 C18 -4.0(5) 3_565 .
O9 Ho1 O4 C18 -44.5(4) . .
O5 Ho1 O4 C18 -175.3(4) 3_565 .
O6 C25 O5 Ho1 13.5(4) . 3_565
C26 C25 O5 Ho1 -164.9(2) . 3_565
O8 C32 O7 Ho1 -18.4(5) . .
C33 C32 O7 Ho1 160.7(2) . .
O6 Ho1 O7 C32 -21.4(3) . .
O2 Ho1 O7 C32 -179.6(3) . .
O8 Ho1 O7 C32 44.3(3) 3_565 .
O9 Ho1 O7 C32 -95.0(3) . .
O5 Ho1 O7 C32 107.2(3) 3_565 .
O4 Ho1 O7 C32 -102.8(3) . .
O7 C32 O8 Ho1 -23.6(5) . 3_565
C33 C32 O8 Ho1 157.3(2) . 3_565
O2 C11 O1 Ni1 -24.1(4) . .
C12 C11 O1 Ni1 154.1(2) . .
O10 Ni1 O1 C11 102.9(2) . .
N1 Ni1 O1 C11 -162.5(2) . .
N2 Ni1 O1 C11 -82.3(2) . .
O1 C11 O2 Ho1 -26.7(8) . .
C12 C11 O2 Ho1 155.2(5) . .
O6 Ho1 O2 C11 70.7(7) . .
O7 Ho1 O2 C11 143.3(6) . .
O8 Ho1 O2 C11 -77.8(6) 3_565 .
O9 Ho1 O2 C11 -7.4(6) . .
O5 Ho1 O2 C11 -136.6(6) 3_565 .
O4 Ho1 O2 C11 68.2(6) . .
