#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:04:06 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179554 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/23/4502323.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_4502323
loop_
_publ_author_name
'Li, Xinfa'
'Liu, Tianfu'
'Lin, Qipu'
'Cao, Rong'
_publ_section_title
;
 Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and
 Photoluminescence Properties
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              608
_journal_paper_doi               10.1021/cg900995u
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C11 H21 Ho2 N O17 P'
_chemical_formula_weight         800.12
_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                73.328(2)
_cell_angle_beta                 69.472(1)
_cell_angle_gamma                66.558(1)
_cell_formula_units_Z            2
_cell_length_a                   9.5550(2)
_cell_length_b                   10.4579(2)
_cell_length_c                   12.3349(1)
_cell_measurement_reflns_used    2707
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      2.1544
_cell_volume                     1043.33(3)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_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_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7931
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.15
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_exptl_absorpt_coefficient_mu    7.691
_exptl_absorpt_correction_T_max  0.245
_exptl_absorpt_correction_T_min  0.182
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            light-orange
_exptl_crystal_density_diffrn    2.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             758
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.672
_refine_diff_density_min         -2.542
_refine_diff_density_rms         0.417
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0303
_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)+(0.0637P)²+5.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.1071
_reflns_number_gt                3848
_reflns_number_total             4529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900995u_si_002.cif
_cod_data_source_block           10-Ho
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4502323
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 0.93757(3) 0.18072(3) 0.26342(3) 0.01371(10) Uani 1 1 d .
Ho2 Ho 1.59276(3) -0.17164(3) 0.20586(3) 0.01397(10) Uani 1 1 d .
P1 P 1.3403(2) 0.17645(17) 0.10498(16) 0.0148(3) Uani 1 1 d .
N1 N 1.2627(7) 0.3920(6) 0.2285(5) 0.0148(11) Uani 1 1 d .
H1C H 1.1637 0.3858 0.2523 0.018 Uiso 1 1 calc R
C1 C 1.3389(9) 0.3519(7) 0.1096(6) 0.0200(14) Uani 1 1 d .
H1A H 1.4471 0.3520 0.0840 0.024 Uiso 1 1 calc R
H1B H 1.2830 0.4226 0.0548 0.024 Uiso 1 1 calc R
C2 C 1.2434(9) 0.5442(8) 0.2212(7) 0.0256(16) Uani 1 1 d .
H2A H 1.1857 0.6042 0.1639 0.031 Uiso 1 1 calc R
H2B H 1.3467 0.5555 0.1960 0.031 Uiso 1 1 calc R
C3 C 1.1535(11) 0.5879(8) 0.3411(8) 0.0316(19) Uani 1 1 d .
H3A H 1.1461 0.6845 0.3366 0.038 Uiso 1 1 calc R
H3B H 1.0467 0.5856 0.3619 0.038 Uiso 1 1 calc R
C4 C 1.2320(12) 0.4932(10) 0.4361(8) 0.039(2) Uani 1 1 d .
H4A H 1.1676 0.5207 0.5117 0.047 Uiso 1 1 calc R
H4B H 1.3348 0.5022 0.4205 0.047 Uiso 1 1 calc R
C5 C 1.2515(12) 0.3400(9) 0.4385(8) 0.037(2) Uani 1 1 d .
H5A H 1.1480 0.3299 0.4607 0.044 Uiso 1 1 calc R
H5B H 1.3065 0.2777 0.4968 0.044 Uiso 1 1 calc R
C6 C 1.3453(9) 0.2974(8) 0.3179(7) 0.0253(16) Uani 1 1 d .
H6A H 1.4505 0.3033 0.2971 0.030 Uiso 1 1 calc R
H6B H 1.3561 0.2003 0.3207 0.030 Uiso 1 1 calc R
C7 C 1.7238(8) -0.0051(7) 0.3064(7) 0.0181(14) Uani 1 1 d .
C8 C 1.8510(8) -0.0378(7) 0.1894(6) 0.0168(13) Uani 1 1 d .
C9 C 0.8310(8) 0.5122(7) 0.2550(6) 0.0170(13) Uani 1 1 d .
C10 C 0.6876(8) 0.4882(7) 0.2447(7) 0.0205(15) Uani 1 1 d .
C11 C 1.0503(8) -0.0655(6) 0.4702(6) 0.0154(13) Uani 1 1 d .
O1 O 1.1943(6) 0.1570(5) 0.1986(5) 0.0219(11) Uani 1 1 d .
O2 O 1.4921(6) 0.0684(5) 0.1308(5) 0.0198(10) Uani 1 1 d .
O3 O 1.3300(6) 0.1928(5) -0.0170(5) 0.0245(11) Uani 1 1 d .
O4 O 1.6196(6) -0.0630(5) 0.3389(5) 0.0238(11) Uani 1 1 d .
O5 O 1.7349(6) 0.0758(5) 0.3583(5) 0.0233(11) Uani 1 1 d .
O6 O 1.8297(6) -0.1063(5) 0.1322(5) 0.0199(10) Uani 1 1 d .
O7 O 1.9626(6) 0.0097(6) 0.1602(5) 0.0240(11) Uani 1 1 d .
O8 O 0.8185(7) 0.6364(5) 0.2524(6) 0.0273(12) Uani 1 1 d .
O9 O 0.9502(6) 0.4036(5) 0.2649(5) 0.0221(11) Uani 1 1 d .
O10 O 0.5759(7) 0.5973(6) 0.2242(6) 0.0338(15) Uani 1 1 d .
O11 O 0.6959(6) 0.3621(5) 0.2583(6) 0.0279(12) Uani 1 1 d .
O12 O 1.0690(6) -0.0473(5) 0.3628(5) 0.0242(11) Uani 1 1 d .
O13 O 1.1064(6) -0.1803(5) 0.5352(5) 0.0220(11) Uani 1 1 d .
O14 O 1.4330(7) -0.2116(7) 0.4073(5) 0.0365(15) Uani 1 1 d .
H14A H 1.3370 -0.2024 0.4449 0.055 Uiso 1 1 d R
H14B H 1.4563 -0.1658 0.4415 0.055 Uiso 1 1 d R
O15 O 1.3443(6) -0.1545(5) 0.1966(5) 0.0257(12) Uani 1 1 d .
H15A H 1.3018 -0.0661 0.1972 0.038 Uiso 1 1 d R
H15B H 1.2988 -0.2029 0.2561 0.038 Uiso 1 1 d R
O16 O 0.9558(8) 0.2861(6) 0.0545(5) 0.0380(15) Uani 1 1 d .
H16A H 1.0156 0.2357 0.0019 0.057 Uiso 1 1 d R
H16B H 0.9860 0.3569 0.0404 0.057 Uiso 1 1 d R
O17 O 1.2509(7) -0.1739(6) 0.0172(6) 0.0370(14) Uani 1 1 d .
H17C H 1.2278 -0.0929 -0.0257 0.055 Uiso 1 1 d R
H17D H 1.2796 -0.1675 0.0728 0.055 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'
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'
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
O1 Ho1 O11 137.39(18) . .
O1 Ho1 O13 99.82(19) . 2_756
O11 Ho1 O13 91.6(2) . 2_756
O1 Ho1 O7 94.13(18) . 1_455
O11 Ho1 O7 107.6(2) . 1_455
O13 Ho1 O7 133.01(18) 2_756 1_455
O1 Ho1 O5 149.37(18) . 1_455
O11 Ho1 O5 73.18(18) . 1_455
O13 Ho1 O5 77.00(19) 2_756 1_455
O7 Ho1 O5 68.82(17) 1_455 1_455
O1 Ho1 O9 74.61(17) . .
O11 Ho1 O9 68.58(18) . .
O13 Ho1 O9 76.12(18) 2_756 .
O7 Ho1 O9 150.71(19) 1_455 .
O5 Ho1 O9 131.93(17) 1_455 .
O1 Ho1 O12 74.86(18) . .
O11 Ho1 O12 146.04(19) . .
O13 Ho1 O12 67.97(17) 2_756 .
O7 Ho1 O12 73.00(18) 1_455 .
O5 Ho1 O12 75.82(18) 1_455 .
O9 Ho1 O12 127.16(18) . .
O1 Ho1 O16 80.2(2) . .
O11 Ho1 O16 73.6(2) . .
O13 Ho1 O16 156.05(18) 2_756 .
O7 Ho1 O16 70.47(19) 1_455 .
O5 Ho1 O16 115.0(2) 1_455 .
O9 Ho1 O16 80.9(2) . .
O12 Ho1 O16 133.57(19) . .
O3 Ho2 O2 82.95(19) 2_855 .
O3 Ho2 O15 84.2(2) 2_855 .
O2 Ho2 O15 78.66(18) . .
O3 Ho2 O4 142.78(19) 2_855 .
O2 Ho2 O4 78.02(19) . .
O15 Ho2 O4 122.19(18) . .
O3 Ho2 O8 94.2(2) 2_855 1_645
O2 Ho2 O8 146.33(18) . 1_645
O15 Ho2 O8 134.62(18) . 1_645
O4 Ho2 O8 84.78(19) . 1_645
O3 Ho2 O6 77.66(19) 2_855 .
O2 Ho2 O6 78.61(17) . .
O15 Ho2 O6 152.39(19) . .
O4 Ho2 O6 67.44(17) . .
O8 Ho2 O6 68.06(18) 1_645 .
O3 Ho2 O10 79.5(2) 2_855 1_645
O2 Ho2 O10 143.88(18) . 1_645
O15 Ho2 O10 68.36(18) . 1_645
O4 Ho2 O10 132.2(2) . 1_645
O8 Ho2 O10 66.77(18) 1_645 1_645
O6 Ho2 O10 127.07(18) . 1_645
O3 Ho2 O14 152.0(2) 2_855 .
O2 Ho2 O14 107.3(2) . .
O15 Ho2 O14 72.9(2) . .
O4 Ho2 O14 65.10(18) . .
O8 Ho2 O14 90.9(2) 1_645 .
O6 Ho2 O14 129.37(18) . .
O10 Ho2 O14 77.3(2) 1_645 .
O3 P1 O1 112.9(3) . .
O3 P1 O2 114.6(3) . .
O1 P1 O2 112.5(3) . .
O3 P1 C1 103.1(3) . .
O1 P1 C1 105.3(3) . .
O2 P1 C1 107.3(3) . .
C6 N1 C1 113.8(5) . .
C6 N1 C2 111.5(6) . .
C1 N1 C2 109.9(5) . .
C6 N1 H1C 107.1 . .
C1 N1 H1C 107.1 . .
C2 N1 H1C 107.1 . .
N1 C1 P1 113.3(5) . .
N1 C1 H1A 108.9 . .
P1 C1 H1A 108.9 . .
N1 C1 H1B 108.9 . .
P1 C1 H1B 108.9 . .
H1A C1 H1B 107.7 . .
N1 C2 C3 109.6(6) . .
N1 C2 H2A 109.7 . .
C3 C2 H2A 109.7 . .
N1 C2 H2B 109.7 . .
C3 C2 H2B 109.7 . .
H2A C2 H2B 108.2 . .
C4 C3 C2 112.5(7) . .
C4 C3 H3A 109.1 . .
C2 C3 H3A 109.1 . .
C4 C3 H3B 109.1 . .
C2 C3 H3B 109.1 . .
H3A C3 H3B 107.8 . .
C3 C4 C5 108.9(7) . .
C3 C4 H4A 109.9 . .
C5 C4 H4A 109.9 . .
C3 C4 H4B 109.9 . .
C5 C4 H4B 109.9 . .
H4A C4 H4B 108.3 . .
C4 C5 C6 110.6(8) . .
C4 C5 H5A 109.5 . .
C6 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C6 C5 H5B 109.5 . .
H5A C5 H5B 108.1 . .
N1 C6 C5 109.9(6) . .
N1 C6 H6A 109.7 . .
C5 C6 H6A 109.7 . .
N1 C6 H6B 109.7 . .
C5 C6 H6B 109.7 . .
H6A C6 H6B 108.2 . .
O5 C7 O4 126.9(7) . .
O5 C7 C8 117.1(6) . .
O4 C7 C8 116.0(6) . .
O6 C8 O7 126.4(7) . .
O6 C8 C7 116.6(6) . .
O7 C8 C7 117.0(6) . .
O8 C9 O9 126.4(7) . .
O8 C9 C10 117.2(6) . .
O9 C9 C10 116.4(6) . .
O10 C10 O11 127.6(7) . .
O10 C10 C9 115.8(6) . .
O11 C10 C9 116.6(6) . .
O12 C11 O13 126.7(6) . .
O12 C11 C11 116.3(7) . 2_756
O13 C11 C11 117.0(7) . 2_756
P1 O1 Ho1 153.2(4) . .
P1 O2 Ho2 139.6(3) . .
P1 O3 Ho2 159.2(3) . 2_855
C7 O4 Ho2 119.9(5) . .
C7 O5 Ho1 117.8(5) . 1_655
C8 O6 Ho2 118.8(4) . .
C8 O7 Ho1 117.9(5) . 1_655
C9 O8 Ho2 119.8(5) . 1_465
C9 O9 Ho1 118.1(4) . .
C10 O10 Ho2 119.9(5) . 1_465
C10 O11 Ho1 119.5(5) . .
C11 O12 Ho1 119.3(4) . .
C11 O13 Ho1 119.2(4) . 2_756
Ho2 O14 H14A 139.5 . .
Ho2 O14 H14B 102.2 . .
H14A O14 H14B 102.2 . .
Ho2 O15 H15A 96.0 . .
Ho2 O15 H15B 112.6 . .
H15A O15 H15B 112.5 . .
Ho1 O16 H16A 119.5 . .
Ho1 O16 H16B 107.2 . .
H16A O16 H16B 107.5 . .
H17C O17 H17D 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O1 2.230(5) .
Ho1 O11 2.341(5) .
Ho1 O13 2.369(5) 2_756
Ho1 O7 2.372(5) 1_455
Ho1 O5 2.385(5) 1_455
Ho1 O9 2.387(5) .
Ho1 O12 2.405(5) .
Ho1 O16 2.469(6) .
Ho2 O3 2.232(5) 2_855
Ho2 O2 2.335(5) .
Ho2 O15 2.349(5) .
Ho2 O4 2.376(5) .
Ho2 O8 2.403(5) 1_645
Ho2 O6 2.419(5) .
Ho2 O10 2.426(6) 1_645
Ho2 O14 2.435(6) .
P1 O3 1.498(6) .
P1 O1 1.510(5) .
P1 O2 1.516(5) .
P1 C1 1.847(7) .
N1 C6 1.477(9) .
N1 C1 1.490(9) .
N1 C2 1.507(8) .
N1 H1C 0.9100 .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.523(11) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.508(13) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.530(12) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.530(11) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 O5 1.252(9) .
C7 O4 1.257(8) .
C7 C8 1.549(10) .
C8 O6 1.249(9) .
C8 O7 1.250(8) .
C9 O8 1.248(8) .
C9 O9 1.261(8) .
C9 C10 1.540(11) .
C10 O10 1.249(9) .
C10 O11 1.254(9) .
C11 O12 1.240(9) .
C11 O13 1.268(8) .
C11 C11 1.542(12) 2_756
O3 Ho2 2.232(5) 2_855
O5 Ho1 2.385(5) 1_655
O7 Ho1 2.372(5) 1_655
O8 Ho2 2.403(5) 1_465
O10 Ho2 2.426(6) 1_465
O13 Ho1 2.369(5) 2_756
O14 H14A 0.8501 .
O14 H14B 0.8500 .
O15 H15A 0.8500 .
O15 H15B 0.8500 .
O16 H16A 0.8500 .
O16 H16B 0.8500 .
O17 H17C 0.8501 .
O17 H17D 0.8499 .
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
C6 N1 C1 P1 62.9(7) . .
C2 N1 C1 P1 -171.2(5) . .
O3 P1 C1 N1 148.7(5) . .
O1 P1 C1 N1 30.1(6) . .
O2 P1 C1 N1 -90.0(5) . .
C6 N1 C2 C3 -57.4(8) . .
C1 N1 C2 C3 175.4(6) . .
N1 C2 C3 C4 56.0(9) . .
C2 C3 C4 C5 -55.8(10) . .
C3 C4 C5 C6 56.5(10) . .
C1 N1 C6 C5 -175.6(6) . .
C2 N1 C6 C5 59.4(8) . .
C4 C5 C6 N1 -58.9(9) . .
O5 C7 C8 O6 -172.7(6) . .
O4 C7 C8 O6 7.2(9) . .
O5 C7 C8 O7 5.5(9) . .
O4 C7 C8 O7 -174.6(7) . .
O8 C9 C10 O10 6.1(11) . .
O9 C9 C10 O10 -173.7(7) . .
O8 C9 C10 O11 -173.6(7) . .
O9 C9 C10 O11 6.6(11) . .
O3 P1 O1 Ho1 -24.3(8) . .
O2 P1 O1 Ho1 -156.0(6) . .
C1 P1 O1 Ho1 87.4(7) . .
O11 Ho1 O1 P1 -49.6(8) . .
O13 Ho1 O1 P1 -153.0(7) 2_756 .
O7 Ho1 O1 P1 72.0(7) 1_455 .
O5 Ho1 O1 P1 126.0(6) 1_455 .
O9 Ho1 O1 P1 -80.5(7) . .
O12 Ho1 O1 P1 143.2(7) . .
O16 Ho1 O1 P1 2.7(7) . .
O3 P1 O2 Ho2 -91.5(5) . .
O1 P1 O2 Ho2 39.4(6) . .
C1 P1 O2 Ho2 154.7(4) . .
O3 Ho2 O2 P1 91.7(5) 2_855 .
O15 Ho2 O2 P1 6.3(5) . .
O4 Ho2 O2 P1 -120.4(5) . .
O8 Ho2 O2 P1 178.7(4) 1_645 .
O6 Ho2 O2 P1 170.5(5) . .
O10 Ho2 O2 P1 30.4(7) 1_645 .
O14 Ho2 O2 P1 -61.5(5) . .
O1 P1 O3 Ho2 -143.1(9) . 2_855
O2 P1 O3 Ho2 -12.5(11) . 2_855
C1 P1 O3 Ho2 103.8(10) . 2_855
O5 C7 O4 Ho2 167.0(6) . .
C8 C7 O4 Ho2 -12.9(8) . .
O3 Ho2 O4 C7 -11.5(7) 2_855 .
O2 Ho2 O4 C7 -72.3(5) . .
O15 Ho2 O4 C7 -140.5(5) . .
O8 Ho2 O4 C7 78.6(5) 1_645 .
O6 Ho2 O4 C7 10.2(5) . .
O10 Ho2 O4 C7 130.5(5) 1_645 .
O14 Ho2 O4 C7 172.0(6) . .
O4 C7 O5 Ho1 -175.5(6) . 1_655
C8 C7 O5 Ho1 4.4(8) . 1_655
O7 C8 O6 Ho2 -176.1(6) . .
C7 C8 O6 Ho2 2.0(8) . .
O3 Ho2 O6 C8 161.0(5) 2_855 .
O2 Ho2 O6 C8 75.8(5) . .
O15 Ho2 O6 C8 111.0(6) . .
O4 Ho2 O6 C8 -5.8(5) . .
O8 Ho2 O6 C8 -99.3(5) 1_645 .
O10 Ho2 O6 C8 -132.5(5) 1_645 .
O14 Ho2 O6 C8 -27.3(6) . .
O6 C8 O7 Ho1 165.5(6) . 1_655
C7 C8 O7 Ho1 -12.6(8) . 1_655
O9 C9 O8 Ho2 171.4(6) . 1_465
C10 C9 O8 Ho2 -8.3(9) . 1_465
O8 C9 O9 Ho1 -178.9(6) . .
C10 C9 O9 Ho1 0.8(9) . .
O1 Ho1 O9 C9 153.8(6) . .
O11 Ho1 O9 C9 -4.3(5) . .
O13 Ho1 O9 C9 -101.7(5) 2_756 .
O7 Ho1 O9 C9 83.6(6) 1_455 .
O5 Ho1 O9 C9 -43.9(6) 1_455 .
O12 Ho1 O9 C9 -149.5(5) . .
O16 Ho1 O9 C9 71.6(5) . .
O11 C10 O10 Ho2 178.8(7) . 1_465
C9 C10 O10 Ho2 -0.8(10) . 1_465
O10 C10 O11 Ho1 169.5(7) . .
C9 C10 O11 Ho1 -10.9(9) . .
O1 Ho1 O11 C10 -23.7(8) . .
O13 Ho1 O11 C10 82.7(6) 2_756 .
O7 Ho1 O11 C10 -140.8(6) 1_455 .
O5 Ho1 O11 C10 158.6(7) 1_455 .
O9 Ho1 O11 C10 8.3(6) . .
O12 Ho1 O11 C10 133.7(6) . .
O16 Ho1 O11 C10 -78.1(6) . .
O13 C11 O12 Ho1 177.1(5) . .
C11 C11 O12 Ho1 -3.5(10) 2_756 .
O1 Ho1 O12 C11 111.0(5) . .
O11 Ho1 O12 C11 -53.4(7) . .
O13 Ho1 O12 C11 3.5(5) 2_756 .
O7 Ho1 O12 C11 -149.8(6) 1_455 .
O5 Ho1 O12 C11 -78.0(5) 1_455 .
O9 Ho1 O12 C11 54.4(6) . .
O16 Ho1 O12 C11 170.9(5) . .
O12 C11 O13 Ho1 176.7(6) . 2_756
C11 C11 O13 Ho1 -2.7(10) 2_756 2_756
