#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:47:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180518 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/87/7218728.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_7218728
loop_
_publ_author_name
'Chen, Wen-Bin'
'Li, Zhi-Xin'
'Ouyang, Zhi-Jian'
'Lin, Wen-Ning'
'Yang, Liu'
'Dong, Wen'
_publ_section_title
;
 Syntheses, Supramolecular Structures, Magnetic and Photochromic
 Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic
 Acid Ligand
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA09951F
_journal_year                    2014
_chemical_formula_sum            'C32 H46 Ho2 N24 O26'
_chemical_formula_weight         1512.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.378(3)
_cell_angle_beta                 94.930(4)
_cell_angle_gamma                104.916(3)
_cell_formula_units_Z            1
_cell_length_a                   9.6936(4)
_cell_length_b                   11.9920(4)
_cell_length_c                   12.8118(4)
_cell_measurement_reflns_used    8330
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      1.40
_cell_volume                     1323.48(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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      293(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20025
_diffrn_reflns_theta_full        27.60
_diffrn_reflns_theta_max         27.60
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    3.076
_exptl_absorpt_correction_T_max  0.557
_exptl_absorpt_correction_T_min  0.370
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.898
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             748.0
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.752
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       0.0011(1)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6153
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0740P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                5424
_reflns_number_total             6153
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra09951f2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1323.48(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7218728
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.472897(18) 0.200569(18) 1.118888(14) 0.02301(9) Uani 1 1 d .
O1 O 0.3763(3) 0.3509(3) 1.2506(2) 0.0279(7) Uani 1 1 d .
O2 O 0.2686(3) 0.2739(3) 1.0723(3) 0.0318(7) Uani 1 1 d .
O3 O 0.0662(4) 0.3462(4) 1.0069(3) 0.0422(9) Uani 1 1 d .
H1 H 0.1261 0.3081 1.0013 0.063 Uiso 1 1 calc R
O4 O 0.4799(3) -0.0425(3) 0.8324(3) 0.0313(7) Uani 1 1 d .
O5 O 0.3929(3) 0.1091(3) 0.9255(2) 0.0306(7) Uani 1 1 d .
O6 O 0.2116(4) 0.1741(4) 0.8132(3) 0.0456(10) Uani 1 1 d .
H2 H 0.2734 0.1906 0.8687 0.068 Uiso 1 1 calc R
O7 O 0.6308(3) 0.3051(3) 1.2977(3) 0.0287(7) Uani 1 1 d .
O8 O 0.2639(4) 0.0812(3) 1.1578(3) 0.0416(9) Uani 1 1 d .
O9 O 0.5797(4) 0.3856(3) 1.0894(3) 0.0339(7) Uani 1 1 d G
O10 O 0.6918(3) 0.1771(4) 1.0604(3) 0.0373(8) Uani 1 1 d .
O11 O 0.3966(6) 0.2555(7) 0.4265(4) 0.0772(17) Uani 1 1 d G
H27 H 0.4570 0.2800 0.3902 0.116 Uiso 1 1 d G
H28 H 0.3079 0.2377 0.3917 0.116 Uiso 1 1 d G
O12 O 0.6792(4) 0.5526(4) 0.4039(3) 0.0461(9) Uani 1 1 d .
O13 O 0.1975(4) 0.8400(4) 0.1310(3) 0.0458(9) Uani 1 1 d .
C1 C 0.1769(4) 0.4173(4) 1.2029(3) 0.0231(8) Uani 1 1 d .
C2 C 0.0733(5) 0.4135(4) 1.1173(4) 0.0284(9) Uani 1 1 d .
C3 C -0.0235(5) 0.4821(5) 1.1445(4) 0.0369(11) Uani 1 1 d .
H3 H -0.0906 0.4804 1.0871 0.044 Uiso 1 1 calc R
C4 C -0.0204(5) 0.5518(5) 1.2548(4) 0.0353(11) Uani 1 1 d .
H4 H -0.0858 0.5971 1.2725 0.042 Uiso 1 1 calc R
C5 C 0.0812(5) 0.5558(4) 1.3420(4) 0.0270(9) Uani 1 1 d .
C6 C 0.1787(5) 0.4894(4) 1.3145(4) 0.0258(9) Uani 1 1 d .
H5 H 0.2471 0.4930 1.3721 0.031 Uiso 1 1 calc R
C7 C 0.2801(4) 0.3449(4) 1.1750(4) 0.0245(9) Uani 1 1 d .
C8 C 0.0136(4) 0.7392(4) 1.6023(4) 0.0266(9) Uani 1 1 d .
C9 C 0.3371(4) 0.0275(4) 0.7257(3) 0.0232(8) Uani 1 1 d .
C10 C 0.2436(5) 0.0988(4) 0.7205(4) 0.0275(9) Uani 1 1 d .
C11 C 0.1797(5) 0.0899(5) 0.6155(4) 0.0353(11) Uani 1 1 d .
H6 H 0.1176 0.1366 0.6120 0.042 Uiso 1 1 calc R
C12 C 0.2066(5) 0.0139(5) 0.5176(4) 0.0343(11) Uani 1 1 d .
H7 H 0.1626 0.0092 0.4482 0.041 Uiso 1 1 calc R
C13 C 0.2991(5) -0.0567(4) 0.5204(4) 0.0280(9) Uani 1 1 d .
C14 C 0.3640(5) -0.0486(4) 0.6252(3) 0.0254(9) Uani 1 1 d .
H8 H 0.4265 -0.0952 0.6278 0.030 Uiso 1 1 calc R
C15 C 0.4078(4) 0.0302(4) 0.8348(3) 0.0221(8) Uani 1 1 d .
C16 C 0.4217(5) -0.2685(4) 0.3110(4) 0.0269(9) Uani 1 1 d .
N1 N 0.0941(4) 0.6246(4) 1.4591(3) 0.0295(8) Uani 1 1 d .
N2 N -0.0060(4) 0.6722(4) 1.4848(3) 0.0299(8) Uani 1 1 d .
N3 N 0.1182(4) 0.7517(4) 1.6832(3) 0.0288(8) Uani 1 1 d .
N4 N 0.0863(4) 0.8192(4) 1.7796(3) 0.0306(8) Uani 1 1 d .
N5 N -0.0337(4) 0.8451(4) 1.7563(3) 0.0323(9) Uani 1 1 d .
N6 N -0.0821(4) 0.7957(4) 1.6446(3) 0.0315(9) Uani 1 1 d .
N7 N 0.3204(4) -0.1328(4) 0.4141(3) 0.0314(8) Uani 1 1 d .
N8 N 0.4058(4) -0.1947(4) 0.4182(3) 0.0289(8) Uani 1 1 d .
N9 N 0.5039(4) -0.3437(4) 0.3020(3) 0.0353(9) Uani 1 1 d .
N10 N 0.4941(5) -0.3998(4) 0.1891(4) 0.0387(10) Uani 1 1 d .
N11 N 0.4102(5) -0.3588(4) 0.1364(3) 0.0370(10) Uani 1 1 d .
H9 H 0.3896 -0.3821 0.0639 0.044 Uiso 1 1 calc R
N12 N 0.3608(4) -0.2759(4) 0.2100(3) 0.0325(9) Uani 1 1 d .
H8A H 0.2422 0.0038 1.1435 0.049 Uiso 1 1 d R
H8B H 0.1868 0.1026 1.1678 0.049 Uiso 1 1 d R
H10A H 0.7670 0.1883 1.1055 0.049 Uiso 1 1 d R
H10B H 0.7166 0.1908 1.0026 0.049 Uiso 1 1 d R
H13A H 0.1140 0.7864 0.0990 0.049 Uiso 1 1 d R
H13B H 0.2447 0.8120 0.1696 0.049 Uiso 1 1 d R
H7A H 0.7035 0.2830 1.3139 0.049 Uiso 1 1 d R
H7B H 0.6460 0.3815 1.3372 0.049 Uiso 1 1 d R
H12A H 0.6564 0.5898 0.3646 0.049 Uiso 1 1 d R
H12B H 0.7694 0.5848 0.4324 0.049 Uiso 1 1 d R
H9A H 0.6618 0.3884 1.1042 0.049 Uiso 1 1 d R
H9B H 0.5564 0.4481 1.1223 0.049 Uiso 1 1 d 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'
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
O5 Ho1 O4 104.38(11) . 2_657
O5 Ho1 O7 160.71(12) . .
O4 Ho1 O7 75.03(11) 2_657 .
O5 Ho1 O8 94.15(13) . .
O4 Ho1 O8 68.59(12) 2_657 .
O7 Ho1 O8 103.26(13) . .
O5 Ho1 O10 80.07(11) . .
O4 Ho1 O10 73.21(12) 2_657 .
O7 Ho1 O10 81.38(11) . .
O8 Ho1 O10 138.55(13) . .
O5 Ho1 O9 85.79(12) . .
O4 Ho1 O9 144.73(12) 2_657 .
O7 Ho1 O9 84.53(12) . .
O8 Ho1 O9 145.43(12) . .
O10 Ho1 O9 75.56(12) . .
O5 Ho1 O1 124.96(10) . .
O4 Ho1 O1 118.93(11) 2_657 .
O7 Ho1 O1 68.97(10) . .
O8 Ho1 O1 73.79(12) . .
O10 Ho1 O1 141.78(12) . .
O9 Ho1 O1 78.04(11) . .
O5 Ho1 O2 72.21(10) . .
O4 Ho1 O2 141.03(12) 2_657 .
O7 Ho1 O2 120.66(10) . .
O8 Ho1 O2 72.91(12) . .
O10 Ho1 O2 140.02(12) . .
O9 Ho1 O2 74.22(11) . .
O1 Ho1 O2 52.80(10) . .
O5 Ho1 C7 98.80(12) . .
O4 Ho1 C7 134.62(12) 2_657 .
O7 Ho1 C7 94.64(12) . .
O8 Ho1 C7 71.31(12) . .
O10 Ho1 C7 150.07(13) . .
O9 Ho1 C7 74.54(12) . .
O1 Ho1 C7 26.19(11) . .
O2 Ho1 C7 26.61(11) . .
C7 O1 Ho1 94.3(3) . .
C7 O2 Ho1 92.8(3) . .
C2 O3 H1 109.5 . .
C15 O4 Ho1 150.9(3) . 2_657
C15 O5 Ho1 144.0(3) . .
C10 O6 H2 109.5 . .
Ho1 O7 H7A 121.7 . .
Ho1 O7 H7B 122.8 . .
H7A O7 H7B 109.9 . .
Ho1 O8 H8A 125.1 . .
Ho1 O8 H8B 124.5 . .
H8A O8 H8B 107.8 . .
Ho1 O9 H9A 97.0 . .
Ho1 O9 H9B 118.4 . .
H9A O9 H9B 118.1 . .
Ho1 O10 H10A 123.2 . .
Ho1 O10 H10B 122.0 . .
H10A O10 H10B 109.0 . .
H27 O11 H28 111.1 . .
H12A O12 H12B 108.8 . .
H13A O13 H13B 109.2 . .
C6 C1 C2 118.4(4) . .
C6 C1 C7 120.8(4) . .
C2 C1 C7 120.8(4) . .
O3 C2 C3 118.1(4) . .
O3 C2 C1 121.5(4) . .
C3 C2 C1 120.4(4) . .
C4 C3 C2 120.3(4) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 120.3(4) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C6 C5 C4 119.2(4) . .
C6 C5 N1 115.6(4) . .
C4 C5 N1 125.1(4) . .
C5 C6 C1 121.4(4) . .
C5 C6 H5 119.3 . .
C1 C6 H5 119.3 . .
O1 C7 O2 120.1(4) . .
O1 C7 C1 121.3(4) . .
O2 C7 C1 118.6(4) . .
O1 C7 Ho1 59.5(2) . .
O2 C7 Ho1 60.6(2) . .
C1 C7 Ho1 178.6(3) . .
N3 C8 N6 111.8(4) . .
N3 C8 N2 127.7(4) . .
N6 C8 N2 120.4(4) . .
C14 C9 C10 118.7(4) . .
C14 C9 C15 118.6(4) . .
C10 C9 C15 122.7(4) . .
O6 C10 C11 118.1(4) . .
O6 C10 C9 122.5(4) . .
C11 C10 C9 119.4(4) . .
C12 C11 C10 121.0(5) . .
C12 C11 H6 119.5 . .
C10 C11 H6 119.5 . .
C11 C12 C13 120.7(4) . .
C11 C12 H7 119.6 . .
C13 C12 H7 119.6 . .
C12 C13 C14 118.9(4) . .
C12 C13 N7 116.5(4) . .
C14 C13 N7 124.7(4) . .
C9 C14 C13 121.3(4) . .
C9 C14 H8 119.4 . .
C13 C14 H8 119.4 . .
O4 C15 O5 123.6(4) . .
O4 C15 C9 119.0(4) . .
O5 C15 C9 117.4(4) . .
N9 C16 N12 112.7(4) . .
N9 C16 N8 119.9(4) . .
N12 C16 N8 127.5(4) . .
N2 N1 C5 115.3(4) . .
N1 N2 C8 112.3(4) . .
C8 N3 N4 104.9(4) . .
N5 N4 N3 109.2(4) . .
N4 N5 N6 109.6(3) . .
C8 N6 N5 104.6(4) . .
N8 N7 C13 115.7(4) . .
N7 N8 C16 113.1(4) . .
C16 N9 N10 103.9(4) . .
N11 N10 N9 109.1(4) . .
N10 N11 N12 110.9(4) . .
N10 N11 H9 124.5 . .
N12 N11 H9 124.5 . .
N11 N12 C16 103.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O5 2.298(3) .
Ho1 O4 2.327(3) 2_657
Ho1 O7 2.360(3) .
Ho1 O8 2.362(3) .
Ho1 O10 2.362(3) .
Ho1 O9 2.369(4) .
Ho1 O1 2.449(3) .
Ho1 O2 2.472(3) .
Ho1 C7 2.835(4) .
O1 C7 1.255(5) .
O2 C7 1.271(5) .
O3 C2 1.347(5) .
O3 H1 0.8200 .
O4 C15 1.244(5) .
O4 Ho1 2.327(3) 2_657
O5 C15 1.265(5) .
O6 C10 1.336(5) .
O6 H2 0.8200 .
O7 H7A 0.8489 .
O7 H7B 0.8430 .
O8 H8A 0.8457 .
O8 H8B 0.8560 .
O9 H9A 0.7918 .
O9 H9B 0.8205 .
O10 H10A 0.8405 .
O10 H10B 0.8529 .
O11 H27 0.8369 .
O11 H28 0.8703 .
O12 H12A 0.8308 .
O12 H12B 0.8481 .
O13 H13A 0.8532 .
O13 H13B 0.8500 .
C1 C6 1.386(6) .
C1 C2 1.402(6) .
C1 C7 1.475(6) .
C2 C3 1.390(6) .
C3 C4 1.362(7) .
C3 H3 0.9300 .
C4 C5 1.403(6) .
C4 H4 0.9300 .
C5 C6 1.378(6) .
C5 N1 1.415(5) .
C6 H5 0.9300 .
C8 N3 1.326(5) .
C8 N6 1.329(5) .
C8 N2 1.406(6) .
C9 C14 1.386(6) .
C9 C10 1.409(6) .
C9 C15 1.489(6) .
C10 C11 1.388(6) .
C11 C12 1.362(7) .
C11 H6 0.9300 .
C12 C13 1.388(7) .
C12 H7 0.9300 .
C13 C14 1.393(6) .
C13 N7 1.418(6) .
C14 H8 0.9300 .
C16 N9 1.331(6) .
C16 N12 1.340(6) .
C16 N8 1.398(6) .
N1 N2 1.259(5) .
N3 N4 1.331(5) .
N4 N5 1.316(5) .
N5 N6 1.330(5) .
N7 N8 1.254(5) .
N9 N10 1.349(6) .
N10 N11 1.304(6) .
N11 N12 1.333(5) .
N11 H9 0.8600 .
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
O5 Ho1 O1 C7 3.1(3) .
O4 Ho1 O1 C7 -134.0(3) 2_657
O7 Ho1 O1 C7 167.9(3) .
O8 Ho1 O1 C7 -80.5(3) .
O10 Ho1 O1 C7 126.3(3) .
O9 Ho1 O1 C7 79.2(3) .
O2 Ho1 O1 C7 0.1(2) .
O5 Ho1 O2 C7 -177.5(3) .
O4 Ho1 O2 C7 91.5(3) 2_657
O7 Ho1 O2 C7 -13.3(3) .
O8 Ho1 O2 C7 82.3(3) .
O10 Ho1 O2 C7 -129.1(3) .
O9 Ho1 O2 C7 -86.9(3) .
O1 Ho1 O2 C7 -0.1(2) .
O4 Ho1 O5 C15 -34.5(5) 2_657
O7 Ho1 O5 C15 51.2(7) .
O8 Ho1 O5 C15 -103.5(5) .
O10 Ho1 O5 C15 35.2(5) .
O9 Ho1 O5 C15 111.2(5) .
O1 Ho1 O5 C15 -176.6(5) .
O2 Ho1 O5 C15 -174.0(5) .
C7 Ho1 O5 C15 -175.2(5) .
C6 C1 C2 O3 179.4(4) .
C7 C1 C2 O3 -1.5(7) .
C6 C1 C2 C3 0.9(7) .
C7 C1 C2 C3 -180.0(4) .
O3 C2 C3 C4 -179.8(5) .
C1 C2 C3 C4 -1.3(8) .
C2 C3 C4 C5 0.5(8) .
C3 C4 C5 C6 0.7(8) .
C3 C4 C5 N1 -179.9(5) .
C4 C5 C6 C1 -1.1(7) .
N1 C5 C6 C1 179.5(4) .
C2 C1 C6 C5 0.3(7) .
C7 C1 C6 C5 -178.8(4) .
Ho1 O1 C7 O2 -0.1(4) .
Ho1 O1 C7 C1 178.7(4) .
Ho1 O2 C7 O1 0.1(4) .
Ho1 O2 C7 C1 -178.7(3) .
C6 C1 C7 O1 -3.3(7) .
C2 C1 C7 O1 177.6(4) .
C6 C1 C7 O2 175.6(4) .
C2 C1 C7 O2 -3.5(7) .
C6 C1 C7 Ho1 122(13) .
C2 C1 C7 Ho1 -57(13) .
O5 Ho1 C7 O1 -177.4(3) .
O4 Ho1 C7 O1 62.2(3) 2_657
O7 Ho1 C7 O1 -11.3(3) .
O8 Ho1 C7 O1 91.1(3) .
O10 Ho1 C7 O1 -92.1(3) .
O9 Ho1 C7 O1 -94.3(3) .
O2 Ho1 C7 O1 -179.9(4) .
O5 Ho1 C7 O2 2.4(3) .
O4 Ho1 C7 O2 -118.0(3) 2_657
O7 Ho1 C7 O2 168.6(3) .
O8 Ho1 C7 O2 -89.0(3) .
O10 Ho1 C7 O2 87.8(3) .
O9 Ho1 C7 O2 85.5(3) .
O1 Ho1 C7 O2 179.9(4) .
O5 Ho1 C7 C1 57(13) .
O4 Ho1 C7 C1 -64(13) 2_657
O7 Ho1 C7 C1 -137(13) .
O8 Ho1 C7 C1 -35(13) .
O10 Ho1 C7 C1 142(13) .
O9 Ho1 C7 C1 140(13) .
O1 Ho1 C7 C1 -126(13) .
O2 Ho1 C7 C1 54(13) .
C14 C9 C10 O6 179.8(4) .
C15 C9 C10 O6 0.0(7) .
C14 C9 C10 C11 0.8(7) .
C15 C9 C10 C11 -179.0(4) .
O6 C10 C11 C12 -179.3(5) .
C9 C10 C11 C12 -0.4(7) .
C10 C11 C12 C13 -0.1(8) .
C11 C12 C13 C14 0.1(7) .
C11 C12 C13 N7 -179.9(4) .
C10 C9 C14 C13 -0.8(7) .
C15 C9 C14 C13 179.0(4) .
C12 C13 C14 C9 0.4(7) .
N7 C13 C14 C9 -179.6(4) .
Ho1 O4 C15 O5 58.0(8) 2_657
Ho1 O4 C15 C9 -123.4(5) 2_657
Ho1 O5 C15 O4 9.4(8) .
Ho1 O5 C15 C9 -169.3(3) .
C14 C9 C15 O4 -5.3(6) .
C10 C9 C15 O4 174.5(4) .
C14 C9 C15 O5 173.4(4) .
C10 C9 C15 O5 -6.8(6) .
C6 C5 N1 N2 -171.5(4) .
C4 C5 N1 N2 9.0(7) .
C5 N1 N2 C8 -180.0(4) .
N3 C8 N2 N1 -2.6(7) .
N6 C8 N2 N1 -180.0(4) .
N6 C8 N3 N4 -0.2(6) .
N2 C8 N3 N4 -177.8(5) .
C8 N3 N4 N5 0.3(5) .
N3 N4 N5 N6 -0.3(5) .
N3 C8 N6 N5 0.0(6) .
N2 C8 N6 N5 177.8(4) .
N4 N5 N6 C8 0.1(5) .
C12 C13 N7 N8 179.1(4) .
C14 C13 N7 N8 -0.9(7) .
C13 N7 N8 C16 179.5(4) .
N9 C16 N8 N7 -177.0(4) .
N12 C16 N8 N7 2.1(7) .
N12 C16 N9 N10 0.5(5) .
N8 C16 N9 N10 179.7(4) .
C16 N9 N10 N11 -0.1(5) .
N9 N10 N11 N12 -0.3(6) .
N10 N11 N12 C16 0.6(5) .
N9 C16 N12 N11 -0.7(5) .
N8 C16 N12 N11 -179.8(4) .
