#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/57/2105759.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_2105759
loop_
_publ_author_name
'Monteiro, Bernardo'
'Fernandes, José A.'
'Pereira, Cláudia C. L.'
'Vilela, Sérgio M. F.'
'Tomé, João P. C.'
'Marçalo, Joaquim'
'Almeida Paz, Filipe A.'
_publ_section_title
;
 Metal-organic frameworks based on uranyl and phosphonate ligands
;
_journal_coeditor_code           BI5030
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              28
_journal_page_last               36
_journal_paper_doi               10.1107/S2052520613034781
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C9 H14 O13 P3 U1.50, 7(H2 O)'
_chemical_formula_sum            'C9 H28 O20 P3 U1.5'
_chemical_formula_weight         906.27
_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                95.219(2)
_cell_angle_beta                 106.752(2)
_cell_angle_gamma                96.980(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7982(3)
_cell_length_b                   11.8876(4)
_cell_length_c                   12.6446(4)
_cell_measurement_reflns_used    54948
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.26
_cell_volume                     1245.89(7)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX-II'
_diffrn_measurement_method       'ω and φ 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  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            54948
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.26
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.025
_exptl_absorpt_correction_T_max  0.9064
_exptl_absorpt_correction_T_min  0.8247
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             850
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.762
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4560
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0095P)²+3.2581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0393
_refine_ls_wR_factor_ref         0.0414
_reflns_number_gt                4004
_reflns_number_total             4560
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi5030sup1.cif
_cod_data_source_block           III
_cod_original_formula_sum        'C9 H28 O20 P3 U1.50'
_cod_database_code               2105759
_cod_database_fobs_code          2105759
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
U U1 0.5000 0.5000 0.5000 0.01107(6) Uani d S 1 2 . .
U U2 0.15561(2) 0.094400(13) 0.246091(13) 0.01209(5) Uani d . 1 1 . .
C C1 0.1205(5) 0.2793(4) 0.6569(3) 0.0138(9) Uani d . 1 1 . .
C C2 0.0910(5) 0.3915(4) 0.6589(3) 0.0154(10) Uani d . 1 1 . .
H H2 0.0701 0.4255 0.5921 0.018 Uiso calc R 1 1 . .
C C3 0.0914(5) 0.4548(4) 0.7573(3) 0.0131(9) Uani d . 1 1 . .
C C4 0.1225(5) 0.4048(4) 0.8552(3) 0.0151(10) Uani d . 1 1 . .
H H4 0.1238 0.4476 0.9227 0.018 Uiso calc R 1 1 . .
C C5 0.1520(6) 0.2919(4) 0.8546(4) 0.0169(10) Uani d . 1 1 . .
C C6 0.1499(5) 0.2295(4) 0.7556(3) 0.0160(10) Uani d . 1 1 . .
H H6 0.1685 0.1525 0.7549 0.019 Uiso calc R 1 1 . .
C C7 0.1242(5) 0.2123(4) 0.5505(3) 0.0161(10) Uani d . 1 1 . .
H H7A 0.0584 0.2440 0.4859 0.019 Uiso calc R 1 1 . .
H H7B 0.0761 0.1317 0.5467 0.019 Uiso calc R 1 1 . .
C C8 0.0550(5) 0.5754(4) 0.7577(4) 0.0155(10) Uani d . 1 1 . .
H H8A 0.0924 0.6106 0.6998 0.019 Uiso calc R 1 1 . .
H H8B 0.1170 0.6198 0.8307 0.019 Uiso calc R 1 1 . .
C C9 0.1723(6) 0.2354(4) 0.9593(3) 0.0185(10) Uani d . 1 1 . .
H H9A 0.2253 0.2929 1.0256 0.022 Uiso calc R 1 1 . .
H H9B 0.2414 0.1755 0.9593 0.022 Uiso calc R 1 1 . .
O O1 0.4047(4) 0.3408(2) 0.5652(2) 0.0178(7) Uani d . 1 1 . .
O O2 0.3229(4) 0.1517(2) 0.4340(2) 0.0137(6) Uani d . 1 1 . .
O O3 0.4207(4) 0.1588(3) 0.6416(2) 0.0174(7) Uani d D 1 1 . .
H H3Z 0.407(6) 0.0785(10) 0.625(4) 0.026 Uiso d D 1 1 . .
O O4 -0.1757(4) 0.7081(3) 0.7196(3) 0.0222(7) Uani d . 1 1 . .
O O5 -0.2546(4) 0.5022(2) 0.6310(2) 0.0155(7) Uani d . 1 1 . .
O O6 -0.1925(4) 0.5485(3) 0.8384(2) 0.0203(7) Uani d D 1 1 . .
H H6Z -0.298(2) 0.511(4) 0.826(4) 0.030 Uiso d D 1 1 . .
O O7 -0.1304(4) 0.2686(3) 0.9521(2) 0.0187(7) Uani d D 1 1 . .
H H7Z -0.183(5) 0.278(4) 0.8779(16) 0.028 Uiso d D 1 1 . .
O O8 -0.0910(4) 0.0778(3) 0.8701(2) 0.0247(8) Uani d . 1 1 . .
O O9 -0.0071(4) 0.1393(3) 1.0798(2) 0.0177(7) Uani d . 1 1 . .
O O10 0.5602(4) 0.4138(2) 0.4020(2) 0.0175(7) Uani d D 1 1 . .
O O11 0.3323(4) 0.1138(3) 0.2055(2) 0.0201(7) Uani d . 1 1 . .
O O12 -0.0193(4) 0.0760(3) 0.2884(2) 0.0196(7) Uani d . 1 1 . .
O O1W 0.2308(4) -0.0671(3) 0.3499(3) 0.0265(8) Uani d D 1 1 . .
H H1X 0.291(5) -0.059(3) 0.4262(14) 0.040 Uiso d D 1 1 . .
H H1Y 0.211(6) -0.1448(14) 0.319(3) 0.040 Uiso d D 1 1 . .
P P1 0.32400(14) 0.21704(9) 0.54220(9) 0.0118(2) Uani d . 1 1 . .
P P2 -0.15338(14) 0.58652(9) 0.73305(9) 0.0134(2) Uani d . 1 1 . .
P P3 -0.02035(15) 0.17263(9) 0.96548(9) 0.0149(2) Uani d . 1 1 . .
O O2W 0.5155(9) -0.0534(7) 0.1215(6) 0.118(2) Uani d D 1 1 . .
H H2X 0.468(10) -0.115(6) 0.063(6) 0.176 Uiso d D 1 1 . .
H H2Y 0.434(8) -0.026(9) 0.148(8) 0.176 Uiso d D 1 1 . .
O O3W 0.4836(5) 0.5382(4) 0.1702(3) 0.0422(10) Uani d D 1 1 . .
H H3X 0.510(4) 0.483(3) 0.122(3) 0.063 Uiso d D 1 1 . .
H H3Y 0.559(5) 0.546(3) 0.2421(19) 0.063 Uiso d D 1 1 . .
O O4W -0.2630(4) 0.2818(3) 0.7338(3) 0.0251(8) Uani d D 1 1 . .
H H4X -0.3760(15) 0.260(4) 0.711(4) 0.038 Uiso d D 1 1 . .
H H4Y -0.237(5) 0.347(3) 0.701(4) 0.038 Uiso d D 1 1 . .
O O5W 0.7331(5) 0.2286(4) 0.3410(3) 0.0475(11) Uani d D 1 1 . .
H H5X 0.675(7) 0.290(4) 0.345(4) 0.071 Uiso d D 1 1 . .
H H5Y 0.713(6) 0.199(2) 0.2649(14) 0.071 Uiso d D 1 1 . .
O O6W 0.6083(4) 0.0599(3) 0.4279(3) 0.0195(7) Uani d D 1 1 . .
H H6X 0.668(4) 0.113(3) 0.398(3) 0.029 Uiso d D 1 1 . .
H H6Y 0.511(3) 0.085(3) 0.429(4) 0.029 Uiso d D 1 1 . .
O O7W 0.6745(6) 0.1567(5) 0.1119(4) 0.0407(13) Uani d PD 0.75 1 A 1
H H7X 0.638(7) 0.0785(15) 0.114(2) 0.061 Uiso d PD 0.75 1 B 1
H H7Y 0.782(4) 0.164(5) 0.108(7) 0.061 Uiso d PD 0.75 1 C 1
O O8W 0.5588(8) 0.3654(5) 0.0372(5) 0.0576(16) Uani d PD 0.75 1 D 1
H H8X 0.580(12) 0.292(4) 0.057(7) 0.086 Uiso d PD 0.75 1 E 1
H H8Y 0.559(13) 0.367(7) -0.038(3) 0.086 Uiso d PD 0.75 1 F 1
O O9W 0.564(2) 0.2765(14) -0.0465(13) 0.042(4) Uani d P 0.25 1 G 2
O O10W 0.5434(17) 0.3060(13) 0.1697(12) 0.037(4) Uani d P 0.25 1 H 2
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'
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'
U U -9.6767 9.6646 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O10 U1 O10 . 2_666 179.9990(10)
O10 U1 O1 . . 91.00(12)
O10 U1 O1 2_666 . 89.01(12)
O10 U1 O1 . 2_666 89.00(12)
O10 U1 O1 2_666 2_666 90.99(12)
O1 U1 O1 . 2_666 180.00(8)
O10 U1 O5 . 1_655 89.89(12)
O10 U1 O5 2_666 1_655 90.11(12)
O1 U1 O5 . 1_655 88.08(11)
O1 U1 O5 2_666 1_655 91.92(11)
O10 U1 O5 . 2_566 90.11(12)
O10 U1 O5 2_666 2_566 89.89(12)
O1 U1 O5 . 2_566 91.92(11)
O1 U1 O5 2_666 2_566 88.08(11)
O5 U1 O5 1_655 2_566 180.0000(10)
O12 U2 O11 . . 179.23(14)
O12 U2 O8 . 2_556 94.99(13)
O11 U2 O8 . 2_556 85.65(13)
O12 U2 O4 . 2_566 90.71(13)
O11 U2 O4 . 2_566 88.91(13)
O8 U2 O4 2_556 2_566 153.07(10)
O12 U2 O9 . 1_554 86.61(12)
O11 U2 O9 . 1_554 93.96(12)
O8 U2 O9 2_556 1_554 76.92(10)
O4 U2 O9 2_566 1_554 77.17(10)
O12 U2 O2 . . 91.82(12)
O11 U2 O2 . . 87.43(12)
O8 U2 O2 2_556 . 132.79(10)
O4 U2 O2 2_566 . 73.10(10)
O9 U2 O2 1_554 . 150.20(10)
O12 U2 O1W . . 85.23(13)
O11 U2 O1W . . 94.61(13)
O8 U2 O1W 2_556 . 68.03(10)
O4 U2 O1W 2_566 . 138.80(11)
O9 U2 O1W 1_554 . 143.08(11)
O2 U2 O1W . . 66.10(10)
C2 C1 C6 . . 119.1(4)
C2 C1 C7 . . 120.7(4)
C6 C1 C7 . . 120.2(4)
C1 C2 C3 . . 121.1(4)
C1 C2 H2 . . 119.5
C3 C2 H2 . . 119.5
C4 C3 C2 . . 119.4(4)
C4 C3 C8 . . 120.1(4)
C2 C3 C8 . . 120.5(4)
C3 C4 C5 . . 120.3(4)
C3 C4 H4 . . 119.8
C5 C4 H4 . . 119.8
C6 C5 C4 . . 119.6(4)
C6 C5 C9 . . 120.4(4)
C4 C5 C9 . . 119.8(4)
C5 C6 C1 . . 120.6(4)
C5 C6 H6 . . 119.7
C1 C6 H6 . . 119.7
C1 C7 P1 . . 111.9(3)
C1 C7 H7A . . 109.2
P1 C7 H7A . . 109.2
C1 C7 H7B . . 109.2
P1 C7 H7B . . 109.2
H7A C7 H7B . . 107.9
C3 C8 P2 . . 114.4(3)
C3 C8 H8A . . 108.7
P2 C8 H8A . . 108.7
C3 C8 H8B . . 108.7
P2 C8 H8B . . 108.7
H8A C8 H8B . . 107.6
C5 C9 P3 . . 109.7(3)
C5 C9 H9A . . 109.7
P3 C9 H9A . . 109.7
C5 C9 H9B . . 109.7
P3 C9 H9B . . 109.7
H9A C9 H9B . . 108.2
P1 O1 U1 . . 149.04(18)
P1 O2 U2 . . 141.33(18)
P1 O3 H3Z . . 113(3)
P2 O4 U2 . 2_566 162.3(2)
P2 O5 U1 . 1_455 133.58(17)
P2 O6 H6Z . . 116(3)
P3 O7 H7Z . . 115(3)
P3 O8 U2 . 2_556 165.0(2)
P3 O9 U2 . 1_556 147.9(2)
U2 O1W H1X . . 124(2)
U2 O1W H1Y . . 126(2)
H1X O1W H1Y . . 109.8(16)
O2 P1 O1 . . 115.78(17)
O2 P1 O3 . . 108.96(17)
O1 P1 O3 . . 105.05(18)
O2 P1 C7 . . 110.48(19)
O1 P1 C7 . . 108.69(19)
O3 P1 C7 . . 107.47(19)
O4 P2 O5 . . 112.64(17)
O4 P2 O6 . . 112.24(18)
O5 P2 O6 . . 108.73(18)
O4 P2 C8 . . 108.8(2)
O5 P2 C8 . . 109.52(19)
O6 P2 C8 . . 104.60(19)
O8 P3 O9 . . 115.57(18)
O8 P3 O7 . . 109.37(18)
O9 P3 O7 . . 105.10(17)
O8 P3 C9 . . 108.7(2)
O9 P3 C9 . . 110.43(19)
O7 P3 C9 . . 107.39(19)
H2X O2W H2Y . . 109.2(16)
H3X O3W H3Y . . 109.2(16)
H4X O4W H4Y . . 109.4(16)
H5X O5W H5Y . . 109.3(16)
H6X O6W H6Y . . 110.1(15)
H7X O7W H7Y . . 108.8(16)
H8X O8W H8Y . . 108.3(16)
H8X O9W H8Y . . 81.8(17)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
U1 O10 . 1.774(3)
U1 O1 . 2.294(3)
U1 O5 1_655 2.307(3)
U2 O12 . 1.765(3)
U2 O11 . 1.769(3)
U2 O8 2_556 2.316(3)
U2 O4 2_566 2.324(3)
U2 O9 1_554 2.326(3)
U2 O2 . 2.392(3)
U2 O1W . 2.472(3)
C1 C2 . 1.388(6)
C1 C6 . 1.400(6)
C1 C7 . 1.511(6)
C2 C3 . 1.393(6)
C2 H2 . 0.9500
C3 C4 . 1.393(6)
C3 C8 . 1.505(6)
C4 C5 . 1.398(6)
C4 H4 . 0.9500
C5 C6 . 1.389(6)
C5 C9 . 1.513(6)
C6 H6 . 0.9500
C7 P1 . 1.786(5)
C7 H7A . 0.9900
C7 H7B . 0.9900
C8 P2 . 1.793(5)
C8 H8A . 0.9900
C8 H8B . 0.9900
C9 P3 . 1.794(5)
C9 H9A . 0.9900
C9 H9B . 0.9900
O1 P1 . 1.517(3)
O2 P1 . 1.507(3)
O3 P1 . 1.571(3)
O3 H3Z . 0.944(10)
O4 P2 . 1.500(3)
O5 P2 . 1.533(3)
O6 P2 . 1.561(3)
O6 H6Z . 0.944(10)
O7 P3 . 1.574(3)
O7 H7Z . 0.943(10)
O8 P3 . 1.503(3)
O9 P3 . 1.510(3)
O1W H1X . 0.948(10)
O1W H1Y . 0.945(10)
O2W H2X . 0.954(10)
O2W H2Y . 0.951(10)
O3W H3X . 0.952(10)
O3W H3Y . 0.946(10)
O4W H4X . 0.947(10)
O4W H4Y . 0.948(10)
O5W H5X . 0.949(10)
O5W H5Y . 0.953(10)
O6W H6X . 0.942(10)
O6W H6Y . 0.945(10)
O7W H7X . 0.953(10)
O7W H7Y . 0.951(10)
O8W H8X . 0.954(10)
O8W H8Y . 0.955(10)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H3Z O6W 2_656 0.944(10) 1.694(14) 2.625(4) 168(4)
O6 H6Z O3W 2_566 0.944(10) 1.680(14) 2.609(5) 168(4)
O7 H7Z O4W . 0.943(10) 1.760(13) 2.696(4) 171(5)
O1W H1X O6W 2_656 0.948(10) 1.803(13) 2.747(4) 173(4)
O1W H1Y O4W 2_556 0.945(10) 1.86(2) 2.752(5) 156(5)
O2W H2X O7W 2_655 0.954(10) 2.18(6) 3.002(9) 144(8)
O2W H2Y O11 . 0.951(10) 2.15(5) 3.010(8) 150(9)
O3W H3X O8W . 0.952(10) 1.850(14) 2.799(7) 175(4)
O3W H3Y O10 . 0.946(10) 2.67(4) 3.336(5) 128(4)
O3W H3Y O1 2_666 0.946(10) 2.59(3) 3.333(5) 136(3)
O4W H4X O3 1_455 0.947(10) 1.95(2) 2.841(5) 156(4)
O4W H4Y O5 . 0.948(10) 2.118(19) 3.031(4) 161(4)
O5W H5X O10 . 0.949(10) 2.070(17) 2.989(5) 163(4)
O5W H5Y O7W . 0.953(10) 1.874(12) 2.823(7) 174(3)
O6W H6X O5W . 0.942(10) 1.725(16) 2.645(5) 164(3)
O6W H6Y O2 . 0.945(10) 1.932(12) 2.875(4) 175(4)
O7W H7X O2W . 0.953(10) 1.81(2) 2.741(10) 163(6)
O7W H7Y O9 1_654 0.951(10) 2.04(2) 2.972(6) 166(6)
O8W H8X O7W . 0.954(10) 1.99(3) 2.927(8) 167(9)
O8W H8Y O3W 2_665 0.955(10) 2.07(5) 2.901(8) 145(7)
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_site_symmetry_1
_geom_torsion
C6 C1 C2 C3 . 0.5(7)
C7 C1 C2 C3 . -178.4(4)
C1 C2 C3 C4 . 0.2(7)
C1 C2 C3 C8 . -178.4(4)
C2 C3 C4 C5 . -0.4(7)
C8 C3 C4 C5 . 178.2(4)
C3 C4 C5 C6 . -0.1(7)
C3 C4 C5 C9 . -175.1(4)
C4 C5 C6 C1 . 0.8(7)
C9 C5 C6 C1 . 175.8(4)
C2 C1 C6 C5 . -1.0(7)
C7 C1 C6 C5 . 177.9(4)
C2 C1 C7 P1 . 95.9(4)
C6 C1 C7 P1 . -82.9(5)
C4 C3 C8 P2 . -88.3(5)
C2 C3 C8 P2 . 90.4(5)
C6 C5 C9 P3 . -88.1(5)
C4 C5 C9 P3 . 86.9(5)
O10 U1 O1 P1 . -34.8(4)
O10 U1 O1 P1 2_666 145.2(4)
O5 U1 O1 P1 1_655 -124.7(4)
O5 U1 O1 P1 2_566 55.3(4)
O12 U2 O2 P1 . -35.5(3)
O11 U2 O2 P1 . 144.4(3)
O8 U2 O2 P1 2_556 -134.0(3)
O4 U2 O2 P1 2_566 54.7(3)
O9 U2 O2 P1 1_554 50.9(4)
O1W U2 O2 P1 . -119.4(3)
U2 O2 P1 O1 . -96.7(3)
U2 O2 P1 O3 . 145.2(2)
U2 O2 P1 C7 . 27.3(3)
U1 O1 P1 O2 . 17.6(5)
U1 O1 P1 O3 . 137.8(4)
U1 O1 P1 C7 . -107.4(4)
C1 C7 P1 O2 . -178.7(3)
C1 C7 P1 O1 . -50.6(3)
C1 C7 P1 O3 . 62.6(3)
U2 O4 P2 O5 2_566 178.5(6)
U2 O4 P2 O6 2_566 55.3(7)
U2 O4 P2 C8 2_566 -59.9(7)
U1 O5 P2 O4 1_455 -31.0(3)
U1 O5 P2 O6 1_455 94.1(2)
U1 O5 P2 C8 1_455 -152.2(2)
C3 C8 P2 O4 . -172.1(3)
C3 C8 P2 O5 . -48.6(3)
C3 C8 P2 O6 . 67.8(3)
U2 O8 P3 O9 2_556 -44.4(9)
U2 O8 P3 O7 2_556 -162.8(8)
U2 O8 P3 C9 2_556 80.3(9)
U2 O9 P3 O8 1_556 102.3(4)
U2 O9 P3 O7 1_556 -137.0(3)
U2 O9 P3 C9 1_556 -21.5(4)
C5 C9 P3 O8 . 64.9(3)
C5 C9 P3 O9 . -167.4(3)
C5 C9 P3 O7 . -53.3(3)
