#------------------------------------------------------------------------------
#$Date: 2021-06-01 11:30:19 +0300 (Tue, 01 Jun 2021) $
#$Revision: 265645 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/30/1563025.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_1563025
loop_
_publ_author_name
'Kinnibrugh, Tiffany L.'
'Garcia, Nancy'
'Clearfield, Abraham'
_publ_section_title
;
 Structural differences of metal biphenylenebisphosphonate with change in
 the alkali metal
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              149
_journal_page_last               158
_journal_paper_doi               10.1016/j.jssc.2011.12.034
_journal_volume                  187
_journal_year                    2012
_chemical_formula_moiety         'C12 H11 Cs O6 P2'
_chemical_formula_sum            'C12 H11 Cs O6 P2'
_chemical_formula_weight         446.06
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                102.2190(11)
_cell_angle_beta                 94.2830(10)
_cell_angle_gamma                94.3050(10)
_cell_formula_units_Z            2
_cell_length_a                   6.1734(4)
_cell_length_b                   7.5322(5)
_cell_length_c                   15.3998(10)
_cell_measurement_reflns_used    9843
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.19
_cell_measurement_theta_min      2.72
_cell_volume                     694.86(8)
_computing_cell_refinement       'SAINT+  <Bruker, 2005)'
_computing_data_collection       'APEX2   (Bruker, 2005)'
_computing_data_reduction        'SAINT+  <Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008>'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX 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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0175
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14177
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    2.919
_exptl_absorpt_correction_T_max  0.9175
_exptl_absorpt_correction_T_min  0.5793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (sheldrick, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.956
_refine_diff_density_min         -1.874
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3333
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0288
_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)+(0.0294P)²+4.3938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0784
_reflns_number_gt                3115
_reflns_number_total             3333
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            JSSC-2012-187-149.cif
_cod_data_source_block           compound5
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

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

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_database_code               1563025
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.78082(4) 0.76598(3) 0.012387(15) 0.01719(8) Uani 1 1 d . . .
P1 P 0.28913(14) 0.69102(11) -0.16267(6) 0.00795(16) Uani 1 1 d . . .
O1 O 0.0358(4) 0.6710(3) -0.16419(17) 0.0121(5) Uani 1 1 d . . .
H1O H -0.0058 0.5671 -0.1565 0.018 Uiso 1 1 calc R . .
C1 C 0.3529(5) 0.6297(4) -0.2763(2) 0.0094(6) Uani 1 1 d . . .
P2 P 1.27720(14) 0.77670(11) 0.17594(6) 0.00802(16) Uani 1 1 d . . .
O2 O 0.3741(4) 0.8855(3) -0.12219(17) 0.0148(5) Uani 1 1 d . . .
C2 C 0.2066(6) 0.5208(5) -0.3436(2) 0.0130(6) Uani 1 1 d . . .
H2A H 0.0662 0.4805 -0.3299 0.016 Uiso 1 1 calc R . .
O3 O 0.3860(4) 0.5570(3) -0.11224(16) 0.0127(5) Uani 1 1 d . . .
H3O H 0.2848 0.4893 -0.0992 0.019 Uiso 0.50 1 calc PR . .
C3 C 0.2640(6) 0.4709(5) -0.4303(2) 0.0126(6) Uani 1 1 d . . .
H3A H 0.1618 0.3966 -0.4749 0.015 Uiso 1 1 calc R . .
O4 O 1.1227(4) 0.6177(3) 0.12606(18) 0.0163(5) Uani 1 1 d . . .
C4 C 0.4687(5) 0.5273(4) -0.4536(2) 0.0086(6) Uani 1 1 d . . .
O5 O 1.2637(4) 0.9325(3) 0.12343(17) 0.0150(5) Uani 1 1 d . . .
H5O H 1.3824 0.9987 0.1330 0.023 Uiso 1 1 calc R . .
C5 C 0.6144(6) 0.6365(5) -0.3855(2) 0.0136(7) Uani 1 1 d . . .
H5A H 0.7546 0.6775 -0.3991 0.016 Uiso 1 1 calc R . .
O6 O 1.5149(4) 0.7358(4) 0.18916(18) 0.0157(5) Uani 1 1 d . . .
H6O H 1.5521 0.6309 0.1659 0.024 Uiso 0.50 1 d P . .
C6 C 0.5582(6) 0.6862(5) -0.2986(2) 0.0131(6) Uani 1 1 d . . .
H6A H 0.6606 0.7594 -0.2537 0.016 Uiso 1 1 calc R . .
C7 C 1.1908(5) 0.8596(4) 0.2844(2) 0.0095(6) Uani 1 1 d . . .
C8 C 0.9974(6) 0.9451(5) 0.2941(2) 0.0127(6) Uani 1 1 d . . .
H8A H 0.9158 0.9659 0.2429 0.015 Uiso 1 1 calc R . .
C9 C 0.9242(6) 0.9997(5) 0.3778(2) 0.0121(6) Uani 1 1 d . . .
H9A H 0.7925 1.0572 0.3830 0.015 Uiso 1 1 calc R . .
C10 C 1.0400(5) 0.9718(4) 0.4553(2) 0.0095(6) Uani 1 1 d . . .
C11 C 1.2337(6) 0.8868(5) 0.4442(2) 0.0132(6) Uani 1 1 d . . .
H11A H 1.3161 0.8662 0.4952 0.016 Uiso 1 1 calc R . .
C12 C 1.3081(6) 0.8317(5) 0.3604(2) 0.0128(6) Uani 1 1 d . . .
H12A H 1.4400 0.7746 0.3551 0.015 Uiso 1 1 calc 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'
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'
Cs Cs -0.3680 2.1192 '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
O4 Cs1 O2 109.90(7) . 2_675
O4 Cs1 O3 128.92(6) . .
O2 Cs1 O3 107.68(7) 2_675 .
O4 Cs1 O1 93.19(7) . 1_655
O2 Cs1 O1 134.89(6) 2_675 1_655
O3 Cs1 O1 83.67(6) . 1_655
O4 Cs1 O3 62.22(6) . 2_665
O2 Cs1 O3 104.47(6) 2_675 2_665
O3 Cs1 O3 75.87(7) . 2_665
O1 Cs1 O3 120.62(6) 1_655 2_665
O4 Cs1 O6 78.87(7) . 1_455
O2 Cs1 O6 61.53(6) 2_675 1_455
O3 Cs1 O6 90.15(6) . 1_455
O1 Cs1 O6 163.56(6) 1_655 1_455
O3 Cs1 O6 42.94(6) 2_665 1_455
O4 Cs1 O4 78.21(7) . 2_765
O2 Cs1 O4 171.26(7) 2_675 2_765
O3 Cs1 O4 63.80(6) . 2_765
O1 Cs1 O4 45.16(6) 1_655 2_765
O3 Cs1 O4 76.06(6) 2_665 2_765
O6 Cs1 O4 118.58(6) 1_455 2_765
O4 Cs1 O5 45.17(6) . .
O2 Cs1 O5 83.37(7) 2_675 .
O3 Cs1 O5 168.78(6) . .
O1 Cs1 O5 87.11(6) 1_655 .
O3 Cs1 O5 103.65(6) 2_665 .
O6 Cs1 O5 97.02(6) 1_455 .
O4 Cs1 O5 105.07(6) 2_765 .
O4 Cs1 O5 141.07(7) . 2_775
O2 Cs1 O5 72.52(6) 2_675 2_775
O3 Cs1 O5 82.93(6) . 2_775
O1 Cs1 O5 65.66(6) 1_655 2_775
O3 Cs1 O5 156.60(6) 2_665 2_775
O6 Cs1 O5 128.77(6) 1_455 2_775
O4 Cs1 O5 103.42(6) 2_765 2_775
O5 Cs1 O5 99.08(6) . 2_775
O4 Cs1 O2 173.97(6) . .
O2 Cs1 O2 74.46(7) 2_675 .
O3 Cs1 O2 45.06(6) . .
O1 Cs1 O2 86.18(6) 1_655 .
O3 Cs1 O2 113.06(6) 2_665 .
O6 Cs1 O2 100.20(6) 1_455 .
O4 Cs1 O2 97.21(6) 2_765 .
O5 Cs1 O2 140.67(6) . .
O5 Cs1 O2 43.55(6) 2_775 .
O2 P1 O3 112.36(15) . .
O2 P1 O1 109.39(14) . .
O3 P1 O1 109.67(14) . .
O2 P1 C1 110.22(15) . .
O3 P1 C1 108.06(14) . .
O1 P1 C1 106.99(15) . .
P1 O1 Cs1 123.40(13) . 1_455
P1 O1 H1O 109.5 . .
Cs1 O1 H1O 77.4 1_455 .
C6 C1 C2 118.2(3) . .
C6 C1 P1 119.5(3) . .
C2 C1 P1 122.3(3) . .
O4 P2 O6 115.15(15) . .
O4 P2 O5 107.42(15) . .
O6 P2 O5 109.36(15) . .
O4 P2 C7 109.79(15) . .
O6 P2 C7 107.17(15) . .
O5 P2 C7 107.73(15) . .
P1 O2 Cs1 139.55(14) . 2_675
P1 O2 Cs1 93.64(12) . .
Cs1 O2 Cs1 105.54(7) 2_675 .
C3 C2 C1 120.7(3) . .
C3 C2 H2A 119.6 . .
C1 C2 H2A 119.6 . .
P1 O3 Cs1 107.21(12) . .
P1 O3 Cs1 138.99(14) . 2_665
Cs1 O3 Cs1 104.13(7) . 2_665
P1 O3 H3O 109.5 . .
Cs1 O3 H3O 127.5 . .
C2 C3 C4 121.6(3) . .
C2 C3 H3A 119.2 . .
C4 C3 H3A 119.2 . .
P2 O4 Cs1 107.72(13) . .
P2 O4 Cs1 130.41(14) . 2_765
Cs1 O4 Cs1 101.79(7) . 2_765
C3 C4 C5 117.2(3) . .
C3 C4 C4 121.7(4) . 2_664
C5 C4 C4 121.1(4) . 2_664
P2 O5 Cs1 94.77(12) . .
P2 O5 Cs1 173.48(14) . 2_775
Cs1 O5 Cs1 80.92(6) . 2_775
P2 O5 H5O 109.5 . .
Cs1 O5 H5O 154.7 . .
Cs1 O5 H5O 74.3 2_775 .
C6 C5 C4 121.5(3) . .
C6 C5 H5A 119.3 . .
C4 C5 H5A 119.3 . .
P2 O6 Cs1 111.77(13) . 1_655
P2 O6 H6O 119.8 . .
Cs1 O6 H6O 71.0 1_655 .
C5 C6 C1 120.8(3) . .
C5 C6 H6A 119.6 . .
C1 C6 H6A 119.6 . .
C12 C7 C8 118.7(3) . .
C12 C7 P2 120.7(3) . .
C8 C7 P2 120.6(3) . .
C9 C8 C7 120.4(3) . .
C9 C8 H8A 119.8 . .
C7 C8 H8A 119.8 . .
C8 C9 C10 121.6(3) . .
C8 C9 H9A 119.2 . .
C10 C9 H9A 119.2 . .
C11 C10 C9 117.0(3) . .
C11 C10 C10 121.4(4) . 2_776
C9 C10 C10 121.6(4) . 2_776
C12 C11 C10 121.6(3) . .
C12 C11 H11A 119.2 . .
C10 C11 H11A 119.2 . .
C7 C12 C11 120.5(3) . .
C7 C12 H12A 119.7 . .
C11 C12 H12A 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 O1 3.220(2) 1_655
Cs1 O2 3.067(2) 2_675
Cs1 O2 3.430(3) .
Cs1 O3 3.090(3) .
Cs1 O3 3.284(2) 2_665
Cs1 O4 3.331(3) 2_765
Cs1 O4 3.065(3) .
Cs1 O5 3.340(3) .
Cs1 O5 3.410(2) 2_775
Cs1 O6 3.321(3) 1_455
P1 O2 1.503(2) .
P1 O3 1.527(2) .
P1 O1 1.558(2) .
P1 C1 1.794(3) .
O1 H1O 0.8400 .
C1 C6 1.397(5) .
C1 C2 1.398(5) .
P2 O4 1.505(3) .
P2 O6 1.529(3) .
P2 O5 1.563(3) .
P2 C7 1.791(3) .
C2 C3 1.388(5) .
C2 H2A 0.9500 .
O3 H3O 0.8400 .
C3 C4 1.399(5) .
C3 H3A 0.9500 .
C4 C5 1.403(4) .
C4 C4 1.490(6) 2_664
O5 Cs1 3.410(2) 2_775
O5 H5O 0.8400 .
C5 C6 1.389(5) .
C5 H5A 0.9500 .
O6 Cs1 3.321(3) 1_655
O6 H6O 0.8517 .
C6 H6A 0.9500 .
C7 C12 1.393(5) .
C7 C8 1.402(5) .
C8 C9 1.388(5) .
C8 H8A 0.9500 .
C9 C10 1.407(5) .
C9 H9A 0.9500 .
C10 C11 1.403(5) .
C10 C10 1.486(6) 2_776
C11 C12 1.393(5) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O2 P1 O1 Cs1 -58.76(18) . . . 1_455
O3 P1 O1 Cs1 64.88(17) . . . 1_455
C1 P1 O1 Cs1 -178.15(14) . . . 1_455
O2 P1 C1 C6 41.7(3) . . . .
O3 P1 C1 C6 -81.4(3) . . . .
O1 P1 C1 C6 160.6(3) . . . .
O2 P1 C1 C2 -140.7(3) . . . .
O3 P1 C1 C2 96.1(3) . . . .
O1 P1 C1 C2 -21.9(3) . . . .
O3 P1 O2 Cs1 -107.3(2) . . . 2_675
O1 P1 O2 Cs1 14.8(3) . . . 2_675
C1 P1 O2 Cs1 132.2(2) . . . 2_675
O3 P1 O2 Cs1 11.98(14) . . . .
O1 P1 O2 Cs1 134.03(11) . . . .
C1 P1 O2 Cs1 -108.59(13) . . . .
O2 Cs1 O2 P1 -144.01(15) 2_675 . . .
O1 Cs1 O2 P1 77.16(11) 1_655 . . .
O3 Cs1 O2 P1 -44.61(12) 2_665 . . .
O6 Cs1 O2 P1 -87.57(11) 1_455 . . .
O4 Cs1 O2 P1 33.27(12) 2_765 . . .
O5 Cs1 O2 P1 157.88(9) . . . .
O5 Cs1 O2 P1 135.19(15) 2_775 . . .
O2 Cs1 O2 Cs1 0.0 2_675 . . 2_675
O3 Cs1 O2 Cs1 136.31(11) . . . 2_675
O1 Cs1 O2 Cs1 -138.83(7) 1_655 . . 2_675
O3 Cs1 O2 Cs1 99.41(7) 2_665 . . 2_675
O6 Cs1 O2 Cs1 56.44(8) 1_455 . . 2_675
O4 Cs1 O2 Cs1 177.29(7) 2_765 . . 2_675
O5 Cs1 O2 Cs1 -58.11(12) . . . 2_675
O5 Cs1 O2 Cs1 -80.80(9) 2_775 . . 2_675
C6 C1 C2 C3 -0.2(5) . . . .
P1 C1 C2 C3 -177.8(3) . . . .
O2 P1 O3 Cs1 -13.93(16) . . . .
O1 P1 O3 Cs1 -135.82(12) . . . .
C1 P1 O3 Cs1 107.89(14) . . . .
O2 P1 O3 Cs1 124.28(19) . . . 2_665
O1 P1 O3 Cs1 2.4(2) . . . 2_665
C1 P1 O3 Cs1 -113.9(2) . . . 2_665
O4 Cs1 O3 P1 -171.98(10) . . . .
O2 Cs1 O3 P1 52.23(13) 2_675 . . .
O1 Cs1 O3 P1 -83.00(12) 1_655 . . .
O3 Cs1 O3 P1 153.20(16) 2_665 . . .
O6 Cs1 O3 P1 112.27(12) 1_455 . . .
O4 Cs1 O3 P1 -125.60(14) 2_765 . . .
O5 Cs1 O3 P1 -117.9(3) . . . .
O5 Cs1 O3 P1 -16.84(12) 2_775 . . .
O2 Cs1 O3 P1 7.92(9) . . . .
P2 Cs1 O3 P1 -172.92(5) . . . .
O4 Cs1 O3 Cs1 34.82(11) . . . 2_665
O2 Cs1 O3 Cs1 -100.96(7) 2_675 . . 2_665
O1 Cs1 O3 Cs1 123.81(7) 1_655 . . 2_665
O3 Cs1 O3 Cs1 0.0 2_665 . . 2_665
O6 Cs1 O3 Cs1 -40.93(7) 1_455 . . 2_665
O4 Cs1 O3 Cs1 81.20(8) 2_765 . . 2_665
O5 Cs1 O3 Cs1 88.9(3) . . . 2_665
O5 Cs1 O3 Cs1 -170.03(7) 2_775 . . 2_665
O2 Cs1 O3 Cs1 -145.27(11) . . . 2_665
P2 Cs1 O3 Cs1 33.88(13) . . . 2_665
P1 Cs1 O3 Cs1 -153.20(16) . . . 2_665
C1 C2 C3 C4 -0.1(5) . . . .
O6 P2 O4 Cs1 -144.74(13) . . . .
O5 P2 O4 Cs1 -22.66(16) . . . .
C7 P2 O4 Cs1 94.22(15) . . . .
O6 P2 O4 Cs1 -21.1(2) . . . 2_765
O5 P2 O4 Cs1 100.96(18) . . . 2_765
C7 P2 O4 Cs1 -142.16(17) . . . 2_765
O2 Cs1 O4 P2 -43.76(15) 2_675 . . .
O3 Cs1 O4 P2 -178.80(11) . . . .
O1 Cs1 O4 P2 96.77(13) 1_655 . . .
O3 Cs1 O4 P2 -140.05(15) 2_665 . . .
O6 Cs1 O4 P2 -97.75(14) 1_455 . . .
O4 Cs1 O4 P2 139.63(17) 2_765 . . .
O5 Cs1 O4 P2 14.04(10) . . . .
O5 Cs1 O4 P2 42.80(19) 2_775 . . .
P1 Cs1 O4 P2 174.92(5) . . . .
O2 Cs1 O4 Cs1 176.61(6) 2_675 . . 2_765
O3 Cs1 O4 Cs1 41.57(11) . . . 2_765
O1 Cs1 O4 Cs1 -42.86(7) 1_655 . . 2_765
O3 Cs1 O4 Cs1 80.32(7) 2_665 . . 2_765
O6 Cs1 O4 Cs1 122.62(8) 1_455 . . 2_765
O4 Cs1 O4 Cs1 0.0 2_765 . . 2_765
O5 Cs1 O4 Cs1 -125.59(11) . . . 2_765
O5 Cs1 O4 Cs1 -96.83(10) 2_775 . . 2_765
P2 Cs1 O4 Cs1 -139.63(17) . . . 2_765
P1 Cs1 O4 Cs1 35.29(14) . . . 2_765
C2 C3 C4 C5 0.1(5) . . . .
C2 C3 C4 C4 179.5(4) . . . 2_664
O4 P2 O5 Cs1 19.75(14) . . . .
O6 P2 O5 Cs1 145.37(12) . . . .
C7 P2 O5 Cs1 -98.47(13) . . . .
O4 Cs1 O5 P2 -12.90(9) . . . .
O2 Cs1 O5 P2 113.88(12) 2_675 . . .
O3 Cs1 O5 P2 -75.6(3) . . . .
O1 Cs1 O5 P2 -110.29(11) 1_655 . . .
O3 Cs1 O5 P2 10.54(12) 2_665 . . .
O6 Cs1 O5 P2 53.73(11) 1_455 . . .
O4 Cs1 O5 P2 -68.43(12) 2_765 . . .
O5 Cs1 O5 P2 -175.07(14) 2_775 . . .
O2 Cs1 O5 P2 169.31(9) . . . .
O4 Cs1 O5 Cs1 162.18(11) . . . 2_775
O2 Cs1 O5 Cs1 -71.05(6) 2_675 . . 2_775
O3 Cs1 O5 Cs1 99.5(3) . . . 2_775
O1 Cs1 O5 Cs1 64.78(6) 1_655 . . 2_775
O3 Cs1 O5 Cs1 -174.38(5) 2_665 . . 2_775
O6 Cs1 O5 Cs1 -131.19(6) 1_455 . . 2_775
O4 Cs1 O5 Cs1 106.64(6) 2_765 . . 2_775
O5 Cs1 O5 Cs1 0.0 2_775 . . 2_775
O2 Cs1 O5 Cs1 -15.61(11) . . . 2_775
P2 Cs1 O5 Cs1 175.07(14) . . . 2_775
P1 Cs1 O5 Cs1 10.36(16) . . . 2_775
C3 C4 C5 C6 0.2(5) . . . .
C4 C4 C5 C6 -179.2(4) 2_664 . . .
O4 P2 O6 Cs1 83.82(16) . . . 1_655
O5 P2 O6 Cs1 -37.20(16) . . . 1_655
C7 P2 O6 Cs1 -153.72(12) . . . 1_655
C4 C5 C6 C1 -0.5(6) . . . .
C2 C1 C6 C5 0.5(5) . . . .
P1 C1 C6 C5 178.2(3) . . . .
O4 P2 C7 C12 108.5(3) . . . .
O6 P2 C7 C12 -17.2(3) . . . .
O5 P2 C7 C12 -134.8(3) . . . .
O4 P2 C7 C8 -68.0(3) . . . .
O6 P2 C7 C8 166.3(3) . . . .
O5 P2 C7 C8 48.7(3) . . . .
C12 C7 C8 C9 -0.4(5) . . . .
P2 C7 C8 C9 176.2(3) . . . .
C7 C8 C9 C10 0.1(5) . . . .
C8 C9 C10 C11 0.2(5) . . . .
C8 C9 C10 C10 -179.2(4) . . . 2_776
C9 C10 C11 C12 -0.2(5) . . . .
C10 C10 C11 C12 179.2(4) 2_776 . . .
C8 C7 C12 C11 0.4(5) . . . .
P2 C7 C12 C11 -176.2(3) . . . .
C10 C11 C12 C7 -0.1(5) . . . .
