#------------------------------------------------------------------------------
#$Date: 2015-12-07 22:18:28 +0200 (Mon, 07 Dec 2015) $
#$Revision: 170870 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/75/7037560.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_7037560
loop_
_publ_author_name
'Huang, Xing-Cai'
'Zhang, Ming'
'Wu, Dayu'
'Shao, Dong'
'Zhao, Xin-Hua'
'Huang, Wei'
'Wang, Xin-Yi'
_publ_section_title
;
 Single molecule magnet behavior observed in a 1-D dysprosium chain with
 quasi-D5h symmetry.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20834
_journal_page_last               20838
_journal_paper_doi               10.1039/c5dt04147c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C32 H33 Ho N3 O8 P'
_chemical_formula_weight         783.51
_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
;
2015-10-20 deposited with the CCDC.
2015-11-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 113.817(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.990(2)
_cell_length_b                   11.579(2)
_cell_length_c                   27.216(5)
_cell_measurement_reflns_used    6050
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.56
_cell_measurement_theta_min      2.56
_cell_volume                     3168.4(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker Apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Diamond
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Apex II'
_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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0421
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            17969
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    2.603
_exptl_absorpt_correction_T_max  0.7120
_exptl_absorpt_correction_T_min  0.5739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS: Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.460
_refine_diff_density_min         -1.869
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         6206
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0249P)²+7.0642P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                5115
_reflns_number_total             6206
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04147c2.cif
_cod_data_source_block           6-HovaldienPOH
_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/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/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 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7037560
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 0.425388(11) 0.444818(10) 0.750111(5) 0.02755(3) Uani 1 1 d .
C1 C 0.5012(3) 0.5209(2) 0.64883(11) 0.0384(8) Uani 1 1 d .
C2 C 0.4416(3) 0.5629(3) 0.59600(11) 0.0450(8) Uani 1 1 d .
C3 C 0.5095(3) 0.5647(3) 0.56350(13) 0.0591(10) Uani 1 1 d .
H3 H 0.4691 0.5958 0.5292 0.071 Uiso 1 1 calc R
C4 C 0.6366(3) 0.5213(4) 0.58073(14) 0.0669(11) Uani 1 1 d .
H4 H 0.6811 0.5222 0.5580 0.080 Uiso 1 1 calc R
C5 C 0.6965(3) 0.4772(3) 0.63102(13) 0.0588(10) Uani 1 1 d .
H5 H 0.7829 0.4489 0.6430 0.071 Uiso 1 1 calc R
C6 C 0.6289(3) 0.4742(3) 0.66515(12) 0.0444(8) Uani 1 1 d .
C7 C 0.6949(3) 0.4154(3) 0.71582(12) 0.0447(9) Uani 1 1 d .
H7 H 0.7832 0.3949 0.7250 0.054 Uiso 1 1 calc R
C8 C 0.7302(3) 0.3141(3) 0.79405(13) 0.0521(10) Uani 1 1 d .
H8A H 0.7108 0.2337 0.7838 0.063 Uiso 1 1 calc R
H8B H 0.8231 0.3279 0.8015 0.063 Uiso 1 1 calc R
C9 C 0.7074(3) 0.3367(3) 0.84280(13) 0.0534(10) Uani 1 1 d .
H9A H 0.7569 0.2813 0.8704 0.064 Uiso 1 1 calc R
H9B H 0.7392 0.4134 0.8562 0.064 Uiso 1 1 calc R
C10 C 0.5371(3) 0.3569(3) 0.87714(11) 0.0479(9) Uani 1 1 d .
H10A H 0.5628 0.4362 0.8880 0.057 Uiso 1 1 calc R
H10B H 0.5865 0.3069 0.9072 0.057 Uiso 1 1 calc R
C11 C 0.3912(3) 0.3423(3) 0.86180(13) 0.0546(10) Uani 1 1 d .
H11A H 0.3663 0.2622 0.8527 0.065 Uiso 1 1 calc R
H11B H 0.3692 0.3634 0.8917 0.065 Uiso 1 1 calc R
C12 C 0.2156(3) 0.4669(3) 0.81603(12) 0.0458(9) Uani 1 1 d .
H12 H 0.1987 0.4550 0.8465 0.055 Uiso 1 1 calc R
C13 C 0.1240(3) 0.5391(3) 0.77578(13) 0.0459(9) Uani 1 1 d .
C14 C 0.0235(3) 0.5925(4) 0.78724(16) 0.0698(12) Uani 1 1 d .
H14 H 0.0205 0.5807 0.8205 0.084 Uiso 1 1 calc R
C15 C -0.0692(4) 0.6610(4) 0.75067(17) 0.0832(14) Uani 1 1 d .
H15 H -0.1333 0.6976 0.7593 0.100 Uiso 1 1 calc R
C16 C -0.0681(3) 0.6760(3) 0.70093(17) 0.0647(12) Uani 1 1 d .
H16 H -0.1323 0.7224 0.6758 0.078 Uiso 1 1 calc R
C17 C 0.0261(3) 0.6235(3) 0.68781(14) 0.0483(10) Uani 1 1 d .
C18 C 0.1283(3) 0.5553(2) 0.72579(12) 0.0398(8) Uani 1 1 d .
C19 C 0.2149(3) 0.5294(3) 0.57430(16) 0.0662(13) Uani 1 1 d .
H19A H 0.2303 0.4560 0.5614 0.099 Uiso 1 1 calc R
H19B H 0.1296 0.5586 0.5505 0.099 Uiso 1 1 calc R
H19C H 0.2165 0.5201 0.6096 0.099 Uiso 1 1 calc R
C20 C -0.0570(4) 0.7085(4) 0.60076(17) 0.0820(16) Uani 1 1 d .
H20A H -0.1462 0.6829 0.5924 0.123 Uiso 1 1 calc R
H20B H -0.0404 0.7079 0.5687 0.123 Uiso 1 1 calc R
H20C H -0.0458 0.7854 0.6150 0.123 Uiso 1 1 calc R
C21 C 0.1131(3) 0.1753(3) 0.61078(13) 0.0486(9) Uani 1 1 d U
C22 C 0.0322(4) 0.1079(4) 0.56897(16) 0.0766(13) Uani 1 1 d U
H22 H 0.0571 0.0327 0.5653 0.092 Uiso 1 1 calc R
C23 C -0.0859(4) 0.1520(5) 0.53239(18) 0.0934(15) Uani 1 1 d U
H23 H -0.1417 0.1066 0.5041 0.112 Uiso 1 1 calc R
C24 C -0.1201(4) 0.2619(4) 0.53797(17) 0.0871(14) Uani 1 1 d U
H24 H -0.1985 0.2926 0.5126 0.105 Uiso 1 1 calc R
C25 C -0.0411(4) 0.3287(4) 0.58051(16) 0.0745(12) Uani 1 1 d U
H25 H -0.0674 0.4034 0.5843 0.089 Uiso 1 1 calc R
C26 C 0.0775(3) 0.2852(3) 0.61782(14) 0.0566(10) Uani 1 1 d U
H26 H 0.1316 0.3296 0.6469 0.068 Uiso 1 1 calc R
C27 C 0.4350(3) 0.2178(3) 0.59624(11) 0.0492(9) Uani 1 1 d U
C28 C 0.5657(3) 0.1936(3) 0.61114(14) 0.0594(10) Uani 1 1 d U
H28 H 0.6258 0.2016 0.6467 0.071 Uiso 1 1 calc R
C29 C 0.6075(4) 0.1569(4) 0.57233(16) 0.0792(12) Uani 1 1 d U
H29 H 0.6969 0.1408 0.5814 0.095 Uiso 1 1 calc R
C30 C 0.5174(5) 0.1443(5) 0.52067(17) 0.0961(13) Uani 1 1 d U
H30 H 0.5457 0.1200 0.4944 0.115 Uiso 1 1 calc R
C31 C 0.3863(5) 0.1669(5) 0.50720(17) 0.1050(15) Uani 1 1 d U
H31 H 0.3249 0.1557 0.4721 0.126 Uiso 1 1 calc R
C32 C 0.3445(4) 0.2064(4) 0.54558(15) 0.0846(13) Uani 1 1 d U
H32 H 0.2557 0.2247 0.5366 0.102 Uiso 1 1 calc R
N1 N 0.6459(2) 0.3886(2) 0.74918(10) 0.0407(7) Uani 1 1 d .
N2 N 0.5674(2) 0.3280(2) 0.83148(9) 0.0418(7) Uani 1 1 d .
H2 H 0.5442 0.2527 0.8234 0.050 Uiso 1 1 calc R
N3 N 0.3184(2) 0.4163(2) 0.81544(9) 0.0368(6) Uani 1 1 d .
O1 O 0.43778(18) 0.52593(17) 0.68016(7) 0.0391(5) Uani 1 1 d .
O2 O 0.3150(2) 0.6078(2) 0.57638(8) 0.0550(7) Uani 1 1 d .
O3 O 0.22217(17) 0.51330(18) 0.71357(8) 0.0405(6) Uani 1 1 d .
O4 O 0.0339(2) 0.6332(2) 0.63937(10) 0.0597(8) Uani 1 1 d .
O5 O 0.35709(17) 0.26737(16) 0.71635(7) 0.0363(5) Uani 1 1 d .
O6 O 0.46629(18) 0.09141(16) 0.69639(7) 0.0377(5) Uani 1 1 d .
O7 O 0.2307(2) 0.12322(17) 0.64527(9) 0.0482(7) Uani 1 1 d .
O8 O 0.3931(2) 0.26171(17) 0.63444(7) 0.0438(6) Uani 1 1 d .
P1 P 0.36788(7) 0.18602(6) 0.67711(3) 0.03149(18) 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'
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'
P P 0.1023 0.0942 '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
O1 Ho1 O3 81.91(8) . .
O1 Ho1 O6 92.12(7) . 2_656
O3 Ho1 O6 101.38(7) . 2_656
O1 Ho1 O5 99.51(7) . .
O3 Ho1 O5 91.96(7) . .
O6 Ho1 O5 163.44(6) 2_656 .
O1 Ho1 N3 152.42(7) . .
O3 Ho1 N3 71.78(8) . .
O6 Ho1 N3 85.26(8) 2_656 .
O5 Ho1 N3 89.71(8) . .
O1 Ho1 N1 72.69(8) . .
O3 Ho1 N1 153.66(8) . .
O6 Ho1 N1 86.63(8) 2_656 .
O5 Ho1 N1 85.63(7) . .
N3 Ho1 N1 134.31(8) . .
O1 Ho1 N2 139.77(8) . .
O3 Ho1 N2 138.31(9) . .
O6 Ho1 N2 81.83(7) 2_656 .
O5 Ho1 N2 81.68(7) . .
N3 Ho1 N2 67.06(8) . .
N1 Ho1 N2 67.29(9) . .
O1 C1 C6 122.9(3) . .
O1 C1 C2 120.2(3) . .
C6 C1 C2 116.9(3) . .
C3 C2 O2 118.3(3) . .
C3 C2 C1 121.1(3) . .
O2 C2 C1 120.6(3) . .
C2 C3 C4 121.2(3) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C5 C4 C3 119.6(4) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
C4 C5 C6 120.4(3) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C1 C6 C5 120.7(3) . .
C1 C6 C7 122.6(3) . .
C5 C6 C7 116.6(3) . .
N1 C7 C6 127.2(3) . .
N1 C7 H7 116.4 . .
C6 C7 H7 116.4 . .
C9 C8 N1 111.3(3) . .
C9 C8 H8A 109.4 . .
N1 C8 H8A 109.4 . .
C9 C8 H8B 109.4 . .
N1 C8 H8B 109.4 . .
H8A C8 H8B 108.0 . .
N2 C9 C8 110.5(2) . .
N2 C9 H9A 109.5 . .
C8 C9 H9A 109.5 . .
N2 C9 H9B 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 108.1 . .
N2 C10 C11 109.0(2) . .
N2 C10 H10A 109.9 . .
C11 C10 H10A 109.9 . .
N2 C10 H10B 109.9 . .
C11 C10 H10B 109.9 . .
H10A C10 H10B 108.3 . .
N3 C11 C10 109.0(3) . .
N3 C11 H11A 109.9 . .
C10 C11 H11A 109.9 . .
N3 C11 H11B 109.9 . .
C10 C11 H11B 109.9 . .
H11A C11 H11B 108.3 . .
N3 C12 C13 127.9(3) . .
N3 C12 H12 116.1 . .
C13 C12 H12 116.1 . .
C18 C13 C14 119.8(3) . .
C18 C13 C12 122.6(3) . .
C14 C13 C12 117.6(3) . .
C15 C14 C13 121.3(4) . .
C15 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
C14 C15 C16 119.7(4) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C17 C16 C15 120.8(3) . .
C17 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
O4 C17 C16 124.6(3) . .
O4 C17 C18 114.3(3) . .
C16 C17 C18 121.2(3) . .
O3 C18 C13 122.9(2) . .
O3 C18 C17 119.9(3) . .
C13 C18 C17 117.2(3) . .
O2 C19 H19A 109.5 . .
O2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O4 C20 H20A 109.5 . .
O4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C26 C21 C22 121.4(3) . .
C26 C21 O7 123.3(3) . .
C22 C21 O7 115.3(3) . .
C21 C22 C23 119.7(4) . .
C21 C22 H22 120.2 . .
C23 C22 H22 120.2 . .
C24 C23 C22 119.5(4) . .
C24 C23 H23 120.3 . .
C22 C23 H23 120.3 . .
C23 C24 C25 121.0(4) . .
C23 C24 H24 119.5 . .
C25 C24 H24 119.5 . .
C24 C25 C26 120.1(4) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C21 C26 C25 118.3(3) . .
C21 C26 H26 120.9 . .
C25 C26 H26 120.9 . .
C32 C27 C28 122.9(4) . .
C32 C27 O8 118.2(3) . .
C28 C27 O8 118.8(3) . .
C27 C28 C29 118.4(3) . .
C27 C28 H28 120.8 . .
C29 C28 H28 120.8 . .
C30 C29 C28 119.8(4) . .
C30 C29 H29 120.1 . .
C28 C29 H29 120.1 . .
C31 C30 C29 120.4(5) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C32 120.0(4) . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C27 C32 C31 118.4(4) . .
C27 C32 H32 120.8 . .
C31 C32 H32 120.8 . .
C7 N1 C8 115.4(3) . .
C7 N1 Ho1 129.27(19) . .
C8 N1 Ho1 115.3(2) . .
C9 N2 C10 113.2(2) . .
C9 N2 Ho1 112.2(2) . .
C10 N2 Ho1 110.68(17) . .
C9 N2 H2 106.8 . .
C10 N2 H2 106.8 . .
Ho1 N2 H2 106.8 . .
C12 N3 C11 115.8(3) . .
C12 N3 Ho1 128.0(2) . .
C11 N3 Ho1 115.8(2) . .
C1 O1 Ho1 142.45(17) . .
C2 O2 C19 115.1(3) . .
C18 O3 Ho1 141.94(18) . .
C17 O4 C20 117.9(3) . .
P1 O5 Ho1 140.59(13) . .
P1 O6 Ho1 155.86(14) . 2_646
C21 O7 P1 126.2(2) . .
C27 O8 P1 124.08(19) . .
O5 P1 O6 118.73(11) . .
O5 P1 O8 105.76(11) . .
O6 P1 O8 110.76(12) . .
O5 P1 O7 110.85(13) . .
O6 P1 O7 104.63(11) . .
O8 P1 O7 105.43(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O1 2.176(2) .
Ho1 O3 2.1936(18) .
Ho1 O6 2.2401(18) 2_656
Ho1 O5 2.2522(18) .
Ho1 N3 2.518(3) .
Ho1 N1 2.519(3) .
Ho1 N2 2.526(2) .
C1 O1 1.303(4) .
C1 C6 1.399(4) .
C1 C2 1.404(4) .
C2 C3 1.369(5) .
C2 O2 1.375(4) .
C3 C4 1.376(5) .
C3 H3 0.9300 .
C4 C5 1.356(5) .
C4 H4 0.9300 .
C5 C6 1.404(5) .
C5 H5 0.9300 .
C6 C7 1.443(4) .
C7 N1 1.267(4) .
C7 H7 0.9300 .
C8 C9 1.470(5) .
C8 N1 1.477(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N2 1.445(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.450(4) .
C10 C11 1.494(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N3 1.467(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 N3 1.278(4) .
C12 C13 1.422(4) .
C12 H12 0.9300 .
C13 C18 1.393(5) .
C13 C14 1.407(5) .
C14 C15 1.356(5) .
C14 H14 0.9300 .
C15 C16 1.370(6) .
C15 H15 0.9300 .
C16 C17 1.367(5) .
C16 H16 0.9300 .
C17 O4 1.360(5) .
C17 C18 1.419(4) .
C18 O3 1.299(4) .
C19 O2 1.410(5) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 O4 1.419(4) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C26 1.367(5) .
C21 C22 1.370(5) .
C21 O7 1.392(3) .
C22 C23 1.376(6) .
C22 H22 0.9300 .
C23 C24 1.353(7) .
C23 H23 0.9300 .
C24 C25 1.372(6) .
C24 H24 0.9300 .
C25 C26 1.384(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C32 1.342(4) .
C27 C28 1.355(5) .
C27 O8 1.392(4) .
C28 C29 1.378(6) .
C28 H28 0.9300 .
C29 C30 1.362(5) .
C29 H29 0.9300 .
C30 C31 1.361(7) .
C30 H30 0.9300 .
C31 C32 1.378(7) .
C31 H31 0.9300 .
C32 H32 0.9300 .
N2 H2 0.9100 .
O5 P1 1.464(2) .
O6 P1 1.4788(19) .
O6 Ho1 2.2402(18) 2_646
O7 P1 1.580(2) .
O8 P1 1.566(2) .
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
O1 C1 C2 C3 176.1(3) .
C6 C1 C2 C3 -4.2(4) .
O1 C1 C2 O2 -1.2(4) .
C6 C1 C2 O2 178.5(3) .
O2 C2 C3 C4 179.9(3) .
C1 C2 C3 C4 2.6(5) .
C2 C3 C4 C5 -0.8(6) .
C3 C4 C5 C6 0.9(6) .
O1 C1 C6 C5 -176.0(3) .
C2 C1 C6 C5 4.3(4) .
O1 C1 C6 C7 7.4(4) .
C2 C1 C6 C7 -172.2(3) .
C4 C5 C6 C1 -2.8(5) .
C4 C5 C6 C7 173.9(3) .
C1 C6 C7 N1 7.0(5) .
C5 C6 C7 N1 -169.7(3) .
N1 C8 C9 N2 53.3(4) .
N2 C10 C11 N3 -58.0(3) .
N3 C12 C13 C18 6.7(5) .
N3 C12 C13 C14 -175.2(3) .
C18 C13 C14 C15 -0.7(5) .
C12 C13 C14 C15 -178.8(4) .
C13 C14 C15 C16 2.0(6) .
C14 C15 C16 C17 -0.6(6) .
C15 C16 C17 O4 179.6(3) .
C15 C16 C17 C18 -2.3(5) .
C14 C13 C18 O3 176.4(3) .
C12 C13 C18 O3 -5.5(5) .
C14 C13 C18 C17 -2.1(4) .
C12 C13 C18 C17 176.0(3) .
O4 C17 C18 O3 3.3(4) .
C16 C17 C18 O3 -175.0(3) .
O4 C17 C18 C13 -178.2(3) .
C16 C17 C18 C13 3.5(4) .
C26 C21 C22 C23 1.6(7) .
O7 C21 C22 C23 -179.4(4) .
C21 C22 C23 C24 0.6(8) .
C22 C23 C24 C25 -2.2(8) .
C23 C24 C25 C26 1.8(8) .
C22 C21 C26 C25 -2.0(6) .
O7 C21 C26 C25 179.1(4) .
C24 C25 C26 C21 0.3(7) .
C32 C27 C28 C29 0.7(6) .
O8 C27 C28 C29 -176.1(3) .
C27 C28 C29 C30 -0.9(6) .
C28 C29 C30 C31 -0.5(8) .
C29 C30 C31 C32 2.1(9) .
C28 C27 C32 C31 0.8(7) .
O8 C27 C32 C31 177.7(4) .
C30 C31 C32 C27 -2.2(8) .
C6 C7 N1 C8 171.6(3) .
C6 C7 N1 Ho1 -8.6(5) .
C9 C8 N1 C7 149.4(3) .
C9 C8 N1 Ho1 -30.5(3) .
O1 Ho1 N1 C7 -0.4(2) .
O3 Ho1 N1 C7 15.4(4) .
O6 Ho1 N1 C7 -93.7(3) 2_656
O5 Ho1 N1 C7 101.0(3) .
N3 Ho1 N1 C7 -173.7(2) .
N2 Ho1 N1 C7 -176.2(3) .
O1 Ho1 N1 C8 179.4(2) .
O3 Ho1 N1 C8 -164.78(19) .
O6 Ho1 N1 C8 86.1(2) 2_656
O5 Ho1 N1 C8 -79.2(2) .
N3 Ho1 N1 C8 6.1(2) .
N2 Ho1 N1 C8 3.59(19) .
C8 C9 N2 C10 -176.1(3) .
C8 C9 N2 Ho1 -50.0(3) .
C11 C10 N2 C9 -178.5(3) .
C11 C10 N2 Ho1 54.6(3) .
O1 Ho1 N2 C9 17.9(3) .
O3 Ho1 N2 C9 -163.60(19) .
O6 Ho1 N2 C9 -65.6(2) 2_656
O5 Ho1 N2 C9 112.8(2) .
N3 Ho1 N2 C9 -153.9(2) .
N1 Ho1 N2 C9 24.1(2) .
O1 Ho1 N2 C10 145.48(18) .
O3 Ho1 N2 C10 -36.1(2) .
O6 Ho1 N2 C10 61.90(19) 2_656
O5 Ho1 N2 C10 -119.6(2) .
N3 Ho1 N2 C10 -26.39(18) .
N1 Ho1 N2 C10 151.7(2) .
C13 C12 N3 C11 -177.1(3) .
C13 C12 N3 Ho1 10.2(4) .
C10 C11 N3 C12 -140.5(3) .
C10 C11 N3 Ho1 33.1(3) .
O1 Ho1 N3 C12 -0.1(3) .
O3 Ho1 N3 C12 -18.3(2) .
O6 Ho1 N3 C12 85.4(2) 2_656
O5 Ho1 N3 C12 -110.4(2) .
N1 Ho1 N3 C12 166.0(2) .
N2 Ho1 N3 C12 168.5(3) .
O1 Ho1 N3 C11 -172.81(18) .
O3 Ho1 N3 C11 169.1(2) .
O6 Ho1 N3 C11 -87.3(2) 2_656
O5 Ho1 N3 C11 76.9(2) .
N1 Ho1 N3 C11 -6.7(2) .
N2 Ho1 N3 C11 -4.19(19) .
C6 C1 O1 Ho1 -24.4(4) .
C2 C1 O1 Ho1 155.2(2) .
O3 Ho1 O1 C1 -155.0(3) .
O6 Ho1 O1 C1 103.8(3) 2_656
O5 Ho1 O1 C1 -64.4(3) .
N3 Ho1 O1 C1 -172.4(2) .
N1 Ho1 O1 C1 18.0(3) .
N2 Ho1 O1 C1 24.0(3) .
C3 C2 O2 C19 120.4(3) .
C1 C2 O2 C19 -62.2(4) .
C13 C18 O3 Ho1 -19.1(5) .
C17 C18 O3 Ho1 159.3(2) .
O1 Ho1 O3 C18 -146.6(3) .
O6 Ho1 O3 C18 -56.1(3) 2_656
O5 Ho1 O3 C18 114.0(3) .
N3 Ho1 O3 C18 25.0(3) .
N1 Ho1 O3 C18 -161.9(3) .
N2 Ho1 O3 C18 34.4(3) .
C16 C17 O4 C20 3.9(5) .
C18 C17 O4 C20 -174.3(3) .
O1 Ho1 O5 P1 30.38(17) .
O3 Ho1 O5 P1 112.50(17) .
O6 Ho1 O5 P1 -103.6(3) 2_656
N3 Ho1 O5 P1 -175.74(16) .
N1 Ho1 O5 P1 -41.23(17) .
N2 Ho1 O5 P1 -108.89(17) .
C26 C21 O7 P1 -32.8(5) .
C22 C21 O7 P1 148.3(3) .
C32 C27 O8 P1 102.9(3) .
C28 C27 O8 P1 -80.1(4) .
Ho1 O5 P1 O6 98.70(18) .
Ho1 O5 P1 O8 -26.39(19) .
Ho1 O5 P1 O7 -140.17(15) .
Ho1 O6 P1 O5 46.5(3) 2_646
Ho1 O6 P1 O8 169.1(2) 2_646
Ho1 O6 P1 O7 -77.8(3) 2_646
C27 O8 P1 O5 166.8(2) .
C27 O8 P1 O6 36.9(2) .
C27 O8 P1 O7 -75.7(2) .
C21 O7 P1 O5 64.5(3) .
C21 O7 P1 O6 -166.3(3) .
C21 O7 P1 O8 -49.5(3) .
