#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:16:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180420 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/89/7208938.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_7208938
loop_
_publ_author_name
'Jiang, Zhi-Qiang'
'Jiang, Gui-Yuan'
'Hou, Duan-Chuan'
'Wang, Fei'
'Zhao, Zhen'
'Zhang, Jian'
_publ_section_title
;
 Urothermal synthesis of photoluminescent lanthanide--organic frameworks
 with unusual topologies
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              315
_journal_paper_doi               10.1039/c2ce26242h
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C45 H32 Ho2 N2 O17'
_chemical_formula_weight         1202.59
_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                 96.044(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0587(4)
_cell_length_b                   27.6658(6)
_cell_length_c                   9.9524(3)
_cell_measurement_reflns_used    6202
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.4139
_cell_volume                     4397.0(2)
_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      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0978
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19450
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.4139
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    3.651
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.405
_refine_diff_density_min         -1.322
_refine_diff_density_rms         0.220
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     590
_refine_ls_number_reflns         7700
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0557P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1072
_refine_ls_wR_factor_ref         0.1142
_reflns_number_gt                6370
_reflns_number_total             7700
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26242h.txt
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7208938
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
Ho2 Ho 0.055572(18) 0.529236(10) -0.77593(3) 0.02026(11) Uani 1 1 d .
Ho1 Ho 0.360211(19) 0.514606(11) -0.64442(3) 0.02176(11) Uani 1 1 d .
O9 O 0.1531(3) 0.91967(18) -1.1918(5) 0.0371(13) Uani 1 1 d .
O7 O 0.0537(3) 0.51789(17) -1.1695(5) 0.0343(12) Uani 1 1 d .
O11 O -0.0375(3) 0.59469(17) -0.8095(5) 0.0351(13) Uani 1 1 d .
O1W O 0.1036(3) 0.49045(18) -0.5714(5) 0.0376(13) Uani 1 1 d .
H10B H 0.0750 0.4638 -0.5424 0.045 Uiso 1 1 calc R
H10C H 0.1512 0.5018 -0.5196 0.045 Uiso 1 1 calc R
O14 O -0.2612(3) 0.96974(16) -0.7392(5) 0.0376(13) Uani 1 1 d .
O1 O 0.4357(3) 0.44693(16) -0.6160(5) 0.0371(13) Uani 1 1 d .
O16 O 0.2760(3) 0.49153(18) -0.4780(5) 0.0355(13) Uani 1 1 d .
O6 O 0.0846(3) 0.55746(19) -0.9782(5) 0.0447(14) Uani 1 1 d .
O13 O -0.1281(3) 0.96453(18) -0.6590(5) 0.0398(13) Uani 1 1 d .
C35 C -0.0582(4) 0.5951(2) -0.6925(7) 0.0279(16) Uani 1 1 d .
O15 O -0.2452(3) 0.75326(17) -0.5358(6) 0.0483(15) Uani 1 1 d .
C36 C -0.2307(5) 0.7992(2) -0.5836(7) 0.0340(18) Uani 1 1 d .
C32 C -0.1981(5) 0.7146(3) -0.5765(8) 0.043(2) Uani 1 1 d .
O8 O 0.2903(3) 0.91501(17) -1.1751(5) 0.0383(13) Uani 1 1 d .
C15 C 0.1137(4) 0.5947(2) -1.1808(7) 0.0244(16) Uani 1 1 d .
C17 C 0.1308(5) 0.6338(3) -1.3903(8) 0.044(2) Uani 1 1 d .
H17A H 0.1221 0.6342 -1.4842 0.053 Uiso 1 1 calc R
O10 O 0.2058(5) 0.70604(19) -1.3991(6) 0.077(2) Uani 1 1 d .
C29 C -0.1091(4) 0.6352(2) -0.6480(7) 0.0296(17) Uani 1 1 d .
C16 C 0.1010(5) 0.5966(3) -1.3181(7) 0.0370(19) Uani 1 1 d .
H16A H 0.0711 0.5719 -1.3645 0.044 Uiso 1 1 calc R
C25 C 0.2147(4) 0.8460(2) -1.2544(7) 0.0288(17) Uani 1 1 d .
C42 C -0.1985(5) 0.9465(2) -0.6866(7) 0.0276(16) Uani 1 1 d .
N1 N 0.2246(4) 0.4871(3) -0.2726(6) 0.057(2) Uani 1 1 d .
H1A H 0.1755 0.4980 -0.2997 0.068 Uiso 1 1 calc R
C18 C 0.1735(6) 0.6703(3) -1.3219(8) 0.052(3) Uani 1 1 d .
N2 N 0.3495(4) 0.4623(3) -0.2846(7) 0.059(2) Uani 1 1 d .
H2A H 0.3942 0.4538 -0.3190 0.071 Uiso 1 1 calc R
C21 C 0.0818(4) 0.5539(3) -1.1026(7) 0.0276(16) Uani 1 1 d .
C14 C 0.5623(4) 0.0633(2) -0.6676(7) 0.0276(16) Uani 1 1 d .
C43 C 0.2843(4) 0.4819(3) -0.3540(7) 0.0309(17) Uani 1 1 d .
C39 C -0.2111(4) 0.8943(2) -0.6537(7) 0.0256(16) Uani 1 1 d .
O5 O 0.5047(4) 0.23566(18) -0.3939(5) 0.0647(19) Uani 1 1 d .
O4 O 0.6200(3) 0.03485(19) -0.6216(5) 0.0437(14) Uani 1 1 d .
C6 C 0.5789(4) 0.3496(3) -0.5194(7) 0.0299(17) Uani 1 1 d .
H6A H 0.6294 0.3646 -0.5314 0.036 Uiso 1 1 calc R
C4 C 0.5039(6) 0.2802(2) -0.4581(8) 0.042(2) Uani 1 1 d .
C41 C -0.2995(5) 0.8268(3) -0.6192(8) 0.039(2) Uani 1 1 d .
H41A H -0.3528 0.8137 -0.6192 0.047 Uiso 1 1 calc R
C11 C 0.5422(4) 0.1081(2) -0.5919(7) 0.0276(17) Uani 1 1 d .
C1 C 0.5046(4) 0.3753(2) -0.5434(7) 0.0248(16) Uani 1 1 d .
C37 C -0.1505(5) 0.8176(3) -0.5849(8) 0.0371(19) Uani 1 1 d .
H37A H -0.1039 0.7980 -0.5634 0.044 Uiso 1 1 calc R
C40 C -0.2895(4) 0.8747(2) -0.6557(8) 0.0316(18) Uani 1 1 d .
H40A H -0.3364 0.8936 -0.6816 0.038 Uiso 1 1 calc R
C13 C 0.5608(6) 0.1576(3) -0.3934(8) 0.055(3) Uani 1 1 d .
H13A H 0.5803 0.1617 -0.3028 0.066 Uiso 1 1 calc R
C28 C 0.2187(4) 0.8967(2) -1.2043(6) 0.0250(16) Uani 1 1 d .
C38 C -0.1414(4) 0.8656(3) -0.6189(7) 0.0299(17) Uani 1 1 d .
H38A H -0.0881 0.8788 -0.6184 0.036 Uiso 1 1 calc R
C3 C 0.4292(6) 0.3047(3) -0.4862(8) 0.049(2) Uani 1 1 d .
H3A H 0.3786 0.2895 -0.4757 0.059 Uiso 1 1 calc R
C12 C 0.5743(5) 0.1143(3) -0.4588(8) 0.048(2) Uani 1 1 d .
H12A H 0.6048 0.0896 -0.4132 0.058 Uiso 1 1 calc R
C9 C 0.4873(5) 0.1885(3) -0.5979(8) 0.0378(19) Uani 1 1 d .
H9A H 0.4591 0.2135 -0.6457 0.045 Uiso 1 1 calc R
C34 C -0.1310(5) 0.6400(3) -0.5210(8) 0.047(2) Uani 1 1 d .
H34A H -0.1153 0.6161 -0.4576 0.057 Uiso 1 1 calc R
C27 C 0.2821(5) 0.7762(3) -1.3346(8) 0.049(2) Uani 1 1 d .
H27A H 0.3302 0.7610 -1.3578 0.059 Uiso 1 1 calc R
C2 C 0.4304(5) 0.3520(3) -0.5302(8) 0.0367(19) Uani 1 1 d .
H2B H 0.3801 0.3683 -0.5512 0.044 Uiso 1 1 calc R
C10 C 0.4991(4) 0.1449(2) -0.6593(7) 0.0316(17) Uani 1 1 d .
H10A H 0.4772 0.1403 -0.7486 0.038 Uiso 1 1 calc R
C33 C -0.1757(6) 0.6792(3) -0.4829(9) 0.054(3) Uani 1 1 d .
H33A H -0.1905 0.6817 -0.3953 0.065 Uiso 1 1 calc R
C24 C 0.1385(5) 0.8215(3) -1.2697(8) 0.045(2) Uani 1 1 d .
H24A H 0.0897 0.8368 -1.2495 0.054 Uiso 1 1 calc R
C26 C 0.2847(4) 0.8230(3) -1.2872(7) 0.0360(19) Uani 1 1 d .
H26A H 0.3356 0.8393 -1.2773 0.043 Uiso 1 1 calc R
O2 O 0.5717(3) 0.45148(17) -0.5473(5) 0.0314(12) Uani 1 1 d .
C45 C 0.3376(6) 0.4565(4) -0.1442(8) 0.063(3) Uani 1 1 d .
H45A H 0.3771 0.4762 -0.0876 0.076 Uiso 1 1 calc R
H45B H 0.3448 0.4230 -0.1168 0.076 Uiso 1 1 calc R
O12 O -0.0318(3) 0.56133(16) -0.6119(5) 0.0283(11) Uani 1 1 d .
O3 O 0.5256(3) 0.05709(16) -0.7853(5) 0.0279(11) Uani 1 1 d .
C8 C 0.5179(5) 0.1945(2) -0.4650(8) 0.039(2) Uani 1 1 d .
C5 C 0.5788(5) 0.3023(3) -0.4782(7) 0.041(2) Uani 1 1 d .
H5A H 0.6288 0.2851 -0.4639 0.050 Uiso 1 1 calc R
C20 C 0.1565(6) 0.6322(3) -1.1155(8) 0.057(3) Uani 1 1 d .
H20A H 0.1645 0.6321 -1.0215 0.069 Uiso 1 1 calc R
C22 C 0.2069(6) 0.7528(3) -1.3465(8) 0.053(3) Uani 1 1 d .
C19 C 0.1884(6) 0.6703(3) -1.1845(8) 0.067(3) Uani 1 1 d .
H19A H 0.2189 0.6949 -1.1389 0.081 Uiso 1 1 calc R
C30 C -0.1339(6) 0.6704(3) -0.7400(8) 0.066(3) Uani 1 1 d .
H30A H -0.1195 0.6678 -0.8278 0.080 Uiso 1 1 calc R
C31 C -0.1804(6) 0.7100(3) -0.7049(10) 0.064(3) Uiso 1 1 d .
H31A H -0.1989 0.7330 -0.7693 0.077 Uiso 1 1 calc R
C23 C 0.1363(6) 0.7746(3) -1.3150(9) 0.062(3) Uani 1 1 d .
H23A H 0.0859 0.7577 -1.3240 0.075 Uiso 1 1 calc R
C44 C 0.2495(5) 0.4728(4) -0.1338(9) 0.068(3) Uani 1 1 d .
H44A H 0.2149 0.4467 -0.1056 0.082 Uiso 1 1 calc R
H44B H 0.2476 0.4998 -0.0720 0.082 Uiso 1 1 calc R
C7 C 0.5058(4) 0.4283(2) -0.5709(7) 0.0261(16) 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'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O7 Ho2 O9 170.09(18) 3_563 4_576
O7 Ho2 O6 102.64(19) 3_563 .
O9 Ho2 O6 84.9(2) 4_576 .
O7 Ho2 O13 83.25(18) 3_563 2_543
O9 Ho2 O13 104.38(18) 4_576 2_543
O6 Ho2 O13 81.81(19) . 2_543
O7 Ho2 O11 86.72(17) 3_563 .
O9 Ho2 O11 88.61(18) 4_576 .
O6 Ho2 O11 78.14(17) . .
O13 Ho2 O11 155.01(18) 2_543 .
O7 Ho2 O1W 97.07(18) 3_563 .
O9 Ho2 O1W 79.02(18) 4_576 .
O6 Ho2 O1W 148.12(18) . .
O13 Ho2 O1W 75.87(18) 2_543 .
O11 Ho2 O1W 128.24(17) . .
O7 Ho2 O12 83.16(17) 3_563 .
O9 Ho2 O12 87.03(17) 4_576 .
O6 Ho2 O12 131.46(17) . .
O13 Ho2 O12 146.18(18) 2_543 .
O11 Ho2 O12 53.85(15) . .
O1W Ho2 O12 75.29(16) . .
O7 Ho2 C35 86.00(19) 3_563 .
O9 Ho2 C35 85.92(19) 4_576 .
O6 Ho2 C35 104.18(19) . .
O13 Ho2 C35 168.65(19) 2_543 .
O11 Ho2 C35 26.53(17) . .
O1W Ho2 C35 101.95(19) . .
O12 Ho2 C35 27.41(17) . .
O1 Ho1 O14 86.98(17) . 2_543
O1 Ho1 O8 176.96(17) . 4_576
O14 Ho1 O8 95.30(18) 2_543 4_576
O1 Ho1 O2 91.86(18) . 3_664
O14 Ho1 O2 154.87(18) 2_543 3_664
O8 Ho1 O2 86.93(18) 4_576 3_664
O1 Ho1 O16 91.61(18) . .
O14 Ho1 O16 77.47(19) 2_543 .
O8 Ho1 O16 90.86(18) 4_576 .
O2 Ho1 O16 77.48(16) 3_664 .
O1 Ho1 O3 91.54(16) . 2_653
O14 Ho1 O3 131.11(18) 2_543 2_653
O8 Ho1 O3 85.44(16) 4_576 2_653
O2 Ho1 O3 73.99(16) 3_664 2_653
O16 Ho1 O3 151.38(17) . 2_653
O1 Ho1 O4 100.92(18) . 2_653
O14 Ho1 O4 77.93(18) 2_543 2_653
O8 Ho1 O4 77.64(18) 4_576 2_653
O2 Ho1 O4 126.76(16) 3_664 2_653
O16 Ho1 O4 151.66(17) . 2_653
O3 Ho1 O4 54.41(16) 2_653 2_653
O1 Ho1 C14 102.80(19) . 2_653
O14 Ho1 C14 105.7(2) 2_543 2_653
O8 Ho1 C14 74.66(19) 4_576 2_653
O2 Ho1 C14 99.02(19) 3_664 2_653
O16 Ho1 C14 165.33(19) . 2_653
O3 Ho1 C14 27.79(18) 2_653 2_653
O4 Ho1 C14 27.79(18) 2_653 2_653
C28 O9 Ho2 149.4(5) . 4_575
C21 O7 Ho2 146.2(4) . 3_563
C35 O11 Ho2 95.9(4) . .
C42 O14 Ho1 171.4(5) . 2_553
C7 O1 Ho1 146.2(5) . .
C43 O16 Ho1 138.3(5) . .
C21 O6 Ho2 151.2(5) . .
C42 O13 Ho2 137.6(5) . 2_553
O11 C35 O12 118.5(6) . .
O11 C35 C29 120.0(6) . .
O12 C35 C29 121.4(6) . .
O11 C35 Ho2 57.6(3) . .
O12 C35 Ho2 61.3(3) . .
C29 C35 Ho2 171.9(5) . .
C36 O15 C32 119.3(6) . .
C41 C36 C37 121.4(7) . .
C41 C36 O15 116.4(7) . .
C37 C36 O15 122.0(7) . .
C31 C32 C33 120.7(8) . .
C31 C32 O15 121.6(8) . .
C33 C32 O15 117.5(7) . .
C28 O8 Ho1 143.8(5) . 4_575
C16 C15 C20 117.5(6) . .
C16 C15 C21 122.0(6) . .
C20 C15 C21 120.5(7) . .
C18 C17 C16 118.7(7) . .
C18 O10 C22 116.4(6) . .
C34 C29 C30 118.0(7) . .
C34 C29 C35 124.2(6) . .
C30 C29 C35 117.8(7) . .
C15 C16 C17 122.1(7) . .
C26 C25 C24 119.0(7) . .
C26 C25 C28 120.9(6) . .
C24 C25 C28 120.0(6) . .
O13 C42 O14 123.9(7) . .
O13 C42 C39 118.6(6) . .
O14 C42 C39 117.4(6) . .
C43 N1 C44 114.0(6) . .
C19 C18 C17 121.9(7) . .
C19 C18 O10 121.3(8) . .
C17 C18 O10 116.7(7) . .
C43 N2 C45 112.2(6) . .
O6 C21 O7 124.5(7) . .
O6 C21 C15 118.9(7) . .
O7 C21 C15 116.6(6) . .
O3 C14 O4 120.1(6) . .
O3 C14 C11 118.2(6) . .
O4 C14 C11 121.3(7) . .
O3 C14 Ho1 59.8(3) . 2_643
O4 C14 Ho1 64.4(4) . 2_643
C11 C14 Ho1 153.3(4) . 2_643
O16 C43 N2 127.0(7) . .
O16 C43 N1 124.6(7) . .
N2 C43 N1 108.2(7) . .
C40 C39 C38 119.7(6) . .
C40 C39 C42 121.5(6) . .
C38 C39 C42 118.8(6) . .
C8 O5 C4 119.7(6) . .
C14 O4 Ho1 87.8(4) . 2_643
C5 C6 C1 120.8(7) . .
C3 C4 C5 120.4(7) . .
C3 C4 O5 119.6(8) . .
C5 C4 O5 119.5(8) . .
C36 C41 C40 119.5(7) . .
C10 C11 C12 119.8(6) . .
C10 C11 C14 119.5(6) . .
C12 C11 C14 120.3(6) . .
C2 C1 C6 118.8(6) . .
C2 C1 C7 120.5(6) . .
C6 C1 C7 120.5(6) . .
C38 C37 C36 118.5(6) . .
C39 C40 C41 120.3(6) . .
C8 C13 C12 119.2(8) . .
O9 C28 O8 122.1(7) . .
O9 C28 C25 120.4(6) . .
O8 C28 C25 117.5(6) . .
C37 C38 C39 120.6(7) . .
C4 C3 C2 119.2(7) . .
C11 C12 C13 119.7(7) . .
C8 C9 C10 118.8(7) . .
C29 C34 C33 121.9(7) . .
C22 C27 C26 118.1(8) . .
C1 C2 C3 121.1(7) . .
C11 C10 C9 121.5(7) . .
C32 C33 C34 118.9(8) . .
C23 C24 C25 119.1(8) . .
C25 C26 C27 121.7(7) . .
C7 O2 Ho1 133.8(4) . 3_664
N2 C45 C44 104.8(7) . .
C35 O12 Ho2 91.3(4) . .
C14 O3 Ho1 92.4(4) . 2_643
C9 C8 O5 122.7(7) . .
C9 C8 C13 121.0(7) . .
O5 C8 C13 116.3(7) . .
C6 C5 C4 119.6(7) . .
C15 C20 C19 122.2(7) . .
C23 C22 C27 121.7(8) . .
C23 C22 O10 121.6(8) . .
C27 C22 O10 116.7(8) . .
C18 C19 C20 117.6(7) . .
C29 C30 C31 121.3(8) . .
C32 C31 C30 119.1(9) . .
C22 C23 C24 120.4(8) . .
N1 C44 C45 100.6(6) . .
O2 C7 O1 124.2(6) . .
O2 C7 C1 120.1(6) . .
O1 C7 C1 115.7(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho2 O7 2.208(5) 3_563
Ho2 O9 2.208(5) 4_576
Ho2 O6 2.254(5) .
Ho2 O13 2.267(5) 2_543
Ho2 O11 2.350(4) .
Ho2 O1W 2.358(5) .
Ho2 O12 2.430(4) .
Ho2 C35 2.769(7) .
Ho1 O1 2.232(5) .
Ho1 O14 2.241(5) 2_543
Ho1 O8 2.253(5) 4_576
Ho1 O2 2.297(5) 3_664
Ho1 O16 2.334(4) .
Ho1 O3 2.346(4) 2_653
Ho1 O4 2.448(5) 2_653
Ho1 C14 2.712(7) 2_653
O9 C28 1.247(7) .
O9 Ho2 2.208(5) 4_575
O7 C21 1.256(8) .
O7 Ho2 2.208(5) 3_563
O11 C35 1.244(8) .
O14 C42 1.261(8) .
O14 Ho1 2.241(5) 2_553
O1 C7 1.275(8) .
O16 C43 1.256(8) .
O6 C21 1.238(8) .
O13 C42 1.239(8) .
O13 Ho2 2.267(5) 2_553
C35 O12 1.275(8) .
C35 C29 1.473(9) .
O15 C36 1.385(8) .
O15 C32 1.394(8) .
C36 C41 1.359(10) .
C36 C37 1.386(10) .
C32 C31 1.345(11) .
C32 C33 1.372(11) .
O8 C28 1.261(7) .
O8 Ho1 2.253(5) 4_575
C15 C16 1.362(9) .
C15 C20 1.371(10) .
C15 C21 1.491(9) .
C17 C18 1.360(10) .
C17 C16 1.371(9) .
O10 C18 1.387(9) .
O10 C22 1.395(9) .
C29 C34 1.354(9) .
C29 C30 1.367(10) .
C25 C26 1.360(9) .
C25 C24 1.393(9) .
C25 C28 1.489(9) .
C42 C39 1.500(9) .
N1 C43 1.327(9) .
N1 C44 1.453(11) .
C18 C19 1.363(11) .
N2 C43 1.310(9) .
N2 C45 1.440(10) .
C14 O3 1.266(8) .
C14 O4 1.265(8) .
C14 C11 1.503(9) .
C14 Ho1 2.712(7) 2_643
C39 C40 1.370(9) .
C39 C38 1.385(9) .
O5 C8 1.369(8) .
O5 C4 1.387(8) .
O4 Ho1 2.448(5) 2_643
C6 C5 1.372(10) .
C6 C1 1.389(9) .
C4 C3 1.380(11) .
C4 C5 1.382(10) .
C41 C40 1.388(9) .
C11 C10 1.366(9) .
C11 C12 1.380(10) .
C1 C2 1.372(9) .
C1 C7 1.493(9) .
C37 C38 1.384(9) .
C13 C8 1.387(10) .
C13 C12 1.391(10) .
C3 C2 1.382(10) .
C9 C8 1.372(10) .
C9 C10 1.375(9) .
C34 C33 1.376(10) .
C27 C22 1.365(11) .
C27 C26 1.375(10) .
C24 C23 1.373(11) .
O2 C7 1.239(8) .
O2 Ho1 2.297(5) 3_664
C45 C44 1.499(10) .
O3 Ho1 2.346(4) 2_643
C20 C19 1.384(11) .
C22 C23 1.349(12) .
C30 C31 1.392(11) .
