#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:40:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179341 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/38/4323805.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_4323805
loop_
_publ_author_name
'M. Westerhausen'
'M. Hartmann'
'W. Schwarz'
_publ_section_title
;
 Synthesis of Tris(1,2-dimethoxyethane-O,O')barium
 Bis(2,2,5,5-tetramethyl-2,5-disilaphospholanide) and the Monomer-Dimer
 Equilibrium in Toluene Solution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2421
_journal_page_last               2426
_journal_paper_doi               10.1021/ic950854y
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C24 H62 Ba O6 P2 Si4'
_chemical_formula_weight         758.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 113.73
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.5230(10)
_cell_length_b                   13.8150(10)
_cell_length_c                   14.5970(10)
_cell_measurement_temperature    193(2)
_cell_volume                     3973.3(4)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_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  0.0785
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5363
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.230
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_F_000             1584
_refine_diff_density_max         1.175
_refine_diff_density_min         -1.214
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.0032(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.031
_refine_ls_goodness_of_fit_obs   1.050
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         5220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_restrained_S_obs      1.050
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_obs          0.0380
_refine_ls_shift/esd_max         -0.006
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0593P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0989
_refine_ls_wR_factor_obs         0.0930
_reflns_number_observed          4485
_reflns_number_total             5222
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic950854y_2.cif
_cod_data_source_block           monobap3a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0593P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0593P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4323805
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
'-x, -y, -z'
'-x, y, -z-1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, 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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ba Ba 0.0000 0.704311(15) 0.2500 0.02155(9) Uani 1 d S .
P1 P 0.10764(4) 0.70198(6) 0.13776(6) 0.0287(2) Uani 1 d . .
Si11 Si 0.21751(4) 0.68285(6) 0.22483(6) 0.0297(2) Uani 1 d . .
Si12 Si 0.12927(4) 0.81564(5) 0.04804(6) 0.0263(2) Uani 1 d . .
C111 C 0.2585(2) 0.7994(2) 0.2103(3) 0.0373(7) Uani 1 d . .
H11A H 0.3104(34) 0.7912(40) 0.2382(50) 0.097(21) Uiso 1 d . .
H11B H 0.2475(19) 0.8484(29) 0.2519(29) 0.039(10) Uiso 1 d . .
C112 C 0.2561(2) 0.5828(3) 0.1762(4) 0.0523(10) Uani 1 d . .
H11C H 0.3058(25) 0.5816(36) 0.2174(36) 0.065(14) Uiso 1 d . .
H11D H 0.2342(21) 0.5231(34) 0.1856(33) 0.053(12) Uiso 1 d . .
H11E H 0.2417(23) 0.5916(35) 0.1071(36) 0.059(13) Uiso 1 d . .
C113 C 0.2428(2) 0.6548(5) 0.3611(3) 0.0594(12) Uani 1 d . .
H11F H 0.2857(33) 0.6364(42) 0.3873(43) 0.085(18) Uiso 1 d . .
H11G H 0.2438(42) 0.7123(54) 0.4039(61) 0.130(30) Uiso 1 d . .
H11H H 0.2196(32) 0.6156(50) 0.3700(47) 0.099(23) Uiso 1 d . .
C121 C 0.2251(2) 0.8322(3) 0.1009(3) 0.0383(7) Uani 1 d . .
H12A H 0.2349(23) 0.8912(37) 0.0879(34) 0.060(13) Uiso 1 d . .
H12B H 0.2390(25) 0.7875(32) 0.0643(38) 0.060(14) Uiso 1 d . .
C122 C 0.1018(2) 0.7835(3) -0.0880(3) 0.0449(8) Uani 1 d . .
H12C H 0.1178(29) 0.8326(42) -0.1242(44) 0.086(18) Uiso 1 d . .
H12D H 0.1249(28) 0.7195(37) -0.0940(41) 0.069(15) Uiso 1 d . .
H12E H 0.0559(22) 0.7798(27) -0.1169(30) 0.036(10) Uiso 1 d . .
C123 C 0.0904(2) 0.9376(3) 0.0492(3) 0.0443(8) Uani 1 d . .
H12F H 0.0941(23) 0.9835(37) 0.0061(36) 0.064(14) Uiso 1 d . .
H12G H 0.0377(22) 0.9389(32) 0.0287(31) 0.052(12) Uiso 1 d . .
H12H H 0.1160(23) 0.9708(35) 0.1162(34) 0.060(13) Uiso 1 d . .
C11 C -0.0698(2) 0.7516(4) -0.0284(3) 0.0505(9) Uani 1 d . .
H11I H -0.1068(27) 0.7499(45) -0.0949(42) 0.076(16) Uiso 1 d . .
H11J H -0.0668(29) 0.8190(45) 0.0017(46) 0.088(19) Uiso 1 d . .
H11K H -0.0289(24) 0.7319(35) -0.0378(34) 0.054(12) Uiso 1 d . .
O12 O -0.08230(12) 0.6853(2) 0.0372(2) 0.0389(5) Uani 1 d . .
C13 C -0.0817(2) 0.5881(3) 0.0060(3) 0.0477(9) Uani 1 d . .
H13A H -0.0316(22) 0.5684(30) 0.0171(31) 0.049(11) Uiso 1 d . .
H13B H -0.1082(24) 0.5788(36) -0.0652(37) 0.066(14) Uiso 1 d . .
C14 C -0.1099(2) 0.5228(3) 0.0617(3) 0.0523(10) Uani 1 d . .
H14A H -0.1084(22) 0.4580(35) 0.0419(34) 0.056(12) Uiso 1 d . .
H14B H -0.1604(23) 0.5356(34) 0.0473(34) 0.061(13) Uiso 1 d . .
O15 O -0.07141(14) 0.5367(2) 0.1663(2) 0.0461(6) Uani 1 d . .
C16 C -0.0895(3) 0.4703(3) 0.2265(4) 0.0607(12) Uani 1 d . .
H16A H -0.1389(29) 0.4629(44) 0.2020(42) 0.088(18) Uiso 1 d . .
H16B H -0.0690(22) 0.4110(36) 0.2259(33) 0.054(13) Uiso 1 d . .
H16C H -0.0638(26) 0.4764(45) 0.2988(42) 0.088(19) Uiso 1 d . .
C21 C 0.1377(2) 0.8805(4) 0.3682(4) 0.0538(10) Uani 1 d . .
H21I H 0.1541(26) 0.9427(40) 0.4084(39) 0.075(15) Uiso 1 d . .
H21J H 0.1530(25) 0.8290(38) 0.4043(38) 0.053(13) Uiso 1 d . .
H21K H 0.1526(29) 0.8766(45) 0.3161(45) 0.095(19) Uiso 1 d . .
O22 O 0.06509(12) 0.8805(2) 0.3284(2) 0.0371(5) Uani 1 d . .
C23 C 0.0374(2) 0.9626(3) 0.2672(3) 0.0550(11) Uani 1 d . .
H23A H 0.0444(23) 0.9563(37) 0.2065(36) 0.064(14) Uiso 1 d . .
H23B H 0.0580(29) 1.0161(46) 0.2995(45) 0.101(20) Uiso 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Ba Ba -0.3244 2.2819 '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
_geom_angle_publ_flag
O15 Ba O15 66.95(12) . 6_556 ?
O15 Ba O22 176.52(7) . . ?
O15 Ba O22 116.49(8) 6_556 . ?
O15 Ba O22 116.49(8) . 6_556 ?
O15 Ba O22 176.52(8) 6_556 6_556 ?
O22 Ba O22 60.08(10) . 6_556 ?
O15 Ba O12 57.47(8) . . ?
O15 Ba O12 112.77(8) 6_556 . ?
O22 Ba O12 120.20(7) . . ?
O22 Ba O12 69.71(7) 6_556 . ?
O15 Ba O12 112.77(8) . 6_556 ?
O15 Ba O12 57.47(7) 6_556 6_556 ?
O22 Ba O12 69.71(7) . 6_556 ?
O22 Ba O12 120.20(7) 6_556 6_556 ?
O12 Ba O12 169.64(10) . 6_556 ?
O15 Ba P1 80.62(5) . 6_556 ?
O15 Ba P1 98.45(5) 6_556 6_556 ?
O22 Ba P1 98.02(5) . 6_556 ?
O22 Ba P1 82.95(5) 6_556 6_556 ?
O12 Ba P1 106.24(5) . 6_556 ?
O12 Ba P1 73.66(5) 6_556 6_556 ?
O15 Ba P1 98.45(5) . . ?
O15 Ba P1 80.62(5) 6_556 . ?
O22 Ba P1 82.95(5) . . ?
O22 Ba P1 98.02(5) 6_556 . ?
O12 Ba P1 73.66(5) . . ?
O12 Ba P1 106.24(5) 6_556 . ?
P1 Ba P1 178.89(3) 6_556 . ?
Si11 P1 Si12 89.66(4) . . ?
Si11 P1 Ba 120.96(4) . . ?
Si12 P1 Ba 129.64(4) . . ?
C113 Si11 C111 110.2(2) . . ?
C113 Si11 C112 105.2(2) . . ?
C111 Si11 C112 106.6(2) . . ?
C113 Si11 P1 114.9(2) . . ?
C111 Si11 P1 105.93(11) . . ?
C112 Si11 P1 113.7(2) . . ?
C122 Si12 C123 105.6(2) . . ?
C122 Si12 C121 106.6(2) . . ?
C123 Si12 C121 107.6(2) . . ?
C122 Si12 P1 113.91(13) . . ?
C123 Si12 P1 115.43(12) . . ?
C121 Si12 P1 107.30(11) . . ?
C121 C111 Si11 108.9(2) . . ?
C121 C111 H11A 115.1(37) . . ?
Si11 C111 H11A 110.1(31) . . ?
C121 C111 H11B 107.8(23) . . ?
Si11 C111 H11B 105.9(22) . . ?
H11A C111 H11B 108.7(40) . . ?
Si11 C112 H11C 108.2(29) . . ?
Si11 C112 H11D 104.6(25) . . ?
H11C C112 H11D 111.1(37) . . ?
Si11 C112 H11E 107.7(29) . . ?
H11C C112 H11E 117.6(39) . . ?
H11D C112 H11E 106.8(39) . . ?
Si11 C113 H11F 108.9(37) . . ?
Si11 C113 H11G 114.8(45) . . ?
H11F C113 H11G 101.6(57) . . ?
Si11 C113 H11H 112.7(48) . . ?
H11F C113 H11H 110.7(58) . . ?
H11G C113 H11H 107.6(65) . . ?
C111 C121 Si12 111.4(2) . . ?
C111 C121 H12A 116.5(30) . . ?
Si12 C121 H12A 109.7(30) . . ?
C111 C121 H12B 105.9(30) . . ?
Si12 C121 H12B 103.4(30) . . ?
H12A C121 H12B 109.0(39) . . ?
Si12 C122 H12C 111.5(34) . . ?
Si12 C122 H12D 109.5(30) . . ?
H12C C122 H12D 104.7(45) . . ?
Si12 C122 H12E 109.0(26) . . ?
H12C C122 H12E 109.5(40) . . ?
H12D C122 H12E 112.6(39) . . ?
Si12 C123 H12F 116.6(30) . . ?
Si12 C123 H12G 116.4(24) . . ?
H12F C123 H12G 100.1(36) . . ?
Si12 C123 H12H 110.0(26) . . ?
H12F C123 H12H 100.6(39) . . ?
H12G C123 H12H 111.8(34) . . ?
O12 C11 H11I 110.7(35) . . ?
O12 C11 H11J 107.2(34) . . ?
H11I C11 H11J 109.6(48) . . ?
O12 C11 H11K 109.7(28) . . ?
H11I C11 H11K 105.7(41) . . ?
H11J C11 H11K 114.0(43) . . ?
C13 O12 C11 111.3(3) . . ?
C13 O12 Ba 110.4(2) . . ?
C11 O12 Ba 117.5(2) . . ?
O12 C13 C14 109.7(3) . . ?
O12 C13 H13A 109.6(23) . . ?
C14 C13 H13A 111.8(23) . . ?
O12 C13 H13B 113.0(30) . . ?
C14 C13 H13B 107.9(29) . . ?
H13A C13 H13B 104.8(36) . . ?
O15 C14 C13 108.2(3) . . ?
O15 C14 H14A 112.2(28) . . ?
C13 C14 H14A 109.5(27) . . ?
O15 C14 H14B 107.7(25) . . ?
C13 C14 H14B 114.1(27) . . ?
H14A C14 H14B 105.2(37) . . ?
C14 O15 C16 112.8(3) . . ?
C14 O15 Ba 124.3(2) . . ?
C16 O15 Ba 120.3(2) . . ?
O15 C16 H16A 111.5(35) . . ?
O15 C16 H16B 108.2(28) . . ?
H16A C16 H16B 110.6(45) . . ?
O15 C16 H16C 115.6(35) . . ?
H16A C16 H16C 117.5(44) . . ?
H16B C16 H16C 91.2(44) . . ?
O22 C21 H21I 107.7(29) . . ?
O22 C21 H21J 109.3(33) . . ?
H21I C21 H21J 112.5(41) . . ?
O22 C21 H21K 110.2(35) . . ?
H21I C21 H21K 111.2(46) . . ?
H21J C21 H21K 105.9(49) . . ?
C23 O22 C21 111.6(3) . . ?
C23 O22 Ba 115.0(2) . . ?
C21 O22 Ba 116.7(2) . . ?
O22 C23 C23 109.7(3) . 6_556 ?
O22 C23 H23A 109.1(30) . . ?
C23 C23 H23A 103.9(28) 6_556 . ?
O22 C23 H23B 109.6(40) . . ?
C23 C23 H23B 114.8(39) 6_556 . ?
H23A C23 H23B 109.5(48) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ba O15 2.775(2) . ?
Ba O15 2.775(2) 6_556 ?
Ba O22 2.811(2) . ?
Ba O22 2.811(2) 6_556 ?
Ba O12 2.903(2) . ?
Ba O12 2.903(2) 6_556 ?
Ba P1 3.3328(7) 6_556 ?
Ba P1 3.3328(7) . ?
P1 Si11 2.2041(11) . ?
P1 Si12 2.2109(10) . ?
Si11 C113 1.879(4) . ?
Si11 C111 1.889(3) . ?
Si11 C112 1.892(4) . ?
Si12 C122 1.883(4) . ?
Si12 C123 1.884(3) . ?
Si12 C121 1.903(4) . ?
C111 C121 1.532(5) . ?
C111 H11A 1.03(7) . ?
C111 H11B 1.00(4) . ?
C112 H11C 0.99(5) . ?
C112 H11D 0.99(5) . ?
C112 H11E 0.94(5) . ?
C113 H11F 0.88(6) . ?
C113 H11G 1.00(8) . ?
C113 H11H 0.78(7) . ?
C121 H12A 0.88(5) . ?
C121 H12B 0.94(5) . ?
C122 H12C 1.00(6) . ?
C122 H12D 1.03(5) . ?
C122 H12E 0.91(4) . ?
C123 H12F 0.92(5) . ?
C123 H12G 1.05(4) . ?
C123 H12H 1.02(5) . ?
C11 O12 1.425(5) . ?
C11 H11I 0.98(5) . ?
C11 H11J 1.02(6) . ?
C11 H11K 0.98(5) . ?
O12 C13 1.421(4) . ?
C13 C14 1.497(6) . ?
C13 H13A 1.06(4) . ?
C13 H13B 0.97(5) . ?
C14 O15 1.427(5) . ?
C14 H14A 0.95(5) . ?
C14 H14B 1.04(5) . ?
O15 C16 1.429(5) . ?
C16 H16A 0.98(6) . ?
C16 H16B 0.93(5) . ?
C16 H16C 0.98(5) . ?
C21 O22 1.432(5) . ?
C21 H21I 1.02(6) . ?
C21 H21J 0.87(5) . ?
C21 H21K 0.94(6) . ?
O22 C23 1.418(5) . ?
C23 C23 1.483(10) 6_556 ?
C23 H23A 0.96(5) . ?
C23 H23B 0.89(6) . ?
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
_geom_torsion_publ_flag
O15 Ba P1 Si11 -114.65(7) . . . . ?
O15 Ba P1 Si11 -49.85(7) 6_556 . . . ?
O22 Ba P1 Si11 68.57(6) . . . . ?
O22 Ba P1 Si11 126.91(6) 6_556 . . . ?
O12 Ba P1 Si11 -167.06(7) . . . . ?
O12 Ba P1 Si11 2.14(7) 6_556 . . . ?
P1 Ba P1 Si11 -82.30(4) 6_556 . . . ?
O15 Ba P1 Si12 126.15(8) . . . . ?
O15 Ba P1 Si12 -169.05(8) 6_556 . . . ?
O22 Ba P1 Si12 -50.63(7) . . . . ?
O22 Ba P1 Si12 7.71(7) 6_556 . . . ?
O12 Ba P1 Si12 73.74(7) . . . . ?
O12 Ba P1 Si12 -117.06(7) 6_556 . . . ?
P1 Ba P1 Si12 158.50(5) 6_556 . . . ?
Si12 P1 Si11 C113 144.2(2) . . . . ?
Ba P1 Si11 C113 6.4(2) . . . . ?
Si12 P1 Si11 C111 22.31(12) . . . . ?
Ba P1 Si11 C111 -115.45(12) . . . . ?
Si12 P1 Si11 C112 -94.4(2) . . . . ?
Ba P1 Si11 C112 127.8(2) . . . . ?
Si11 P1 Si12 C122 115.3(2) . . . . ?
Ba P1 Si12 C122 -113.1(2) . . . . ?
Si11 P1 Si12 C123 -122.2(2) . . . . ?
Ba P1 Si12 C123 9.3(2) . . . . ?
Si11 P1 Si12 C121 -2.38(13) . . . . ?
Ba P1 Si12 C121 129.15(13) . . . . ?
C113 Si11 C111 C121 -167.4(3) . . . . ?
C112 Si11 C111 C121 78.9(3) . . . . ?
P1 Si11 C111 C121 -42.5(3) . . . . ?
Si11 C111 C121 Si12 42.0(3) . . . . ?
C122 Si12 C121 C111 -146.2(3) . . . . ?
C123 Si12 C121 C111 100.9(3) . . . . ?
P1 Si12 C121 C111 -23.8(3) . . . . ?
O15 Ba O12 C13 -32.3(2) . . . . ?
O15 Ba O12 C13 7.2(2) 6_556 . . . ?
O22 Ba O12 C13 150.7(2) . . . . ?
O22 Ba O12 C13 -175.4(2) 6_556 . . . ?
O12 Ba O12 C13 -11.7(2) 6_556 . . . ?
P1 Ba O12 C13 -99.6(2) 6_556 . . . ?
P1 Ba O12 C13 79.3(2) . . . . ?
O15 Ba O12 C11 -161.4(3) . . . . ?
O15 Ba O12 C11 -121.9(3) 6_556 . . . ?
O22 Ba O12 C11 21.6(3) . . . . ?
O22 Ba O12 C11 55.5(3) 6_556 . . . ?
O12 Ba O12 C11 -140.7(3) 6_556 . . . ?
P1 Ba O12 C11 131.4(2) 6_556 . . . ?
P1 Ba O12 C11 -49.8(2) . . . . ?
C11 O12 C13 C14 -167.4(3) . . . . ?
Ba O12 C13 C14 60.2(4) . . . . ?
O12 C13 C14 O15 -56.0(5) . . . . ?
C13 C14 O15 C16 -173.7(4) . . . . ?
C13 C14 O15 Ba 24.6(4) . . . . ?
O15 Ba O15 C14 -137.4(3) 6_556 . . . ?
O22 Ba O15 C14 52.0(12) . . . . ?
O22 Ba O15 C14 42.0(3) 6_556 . . . ?
O12 Ba O15 C14 3.0(3) . . . . ?
O12 Ba O15 C14 -173.0(3) 6_556 . . . ?
P1 Ba O15 C14 119.2(3) 6_556 . . . ?
P1 Ba O15 C14 -61.4(3) . . . . ?
O15 Ba O15 C16 62.3(3) 6_556 . . . ?
O22 Ba O15 C16 -108.4(11) . . . . ?
O22 Ba O15 C16 -118.3(3) 6_556 . . . ?
O12 Ba O15 C16 -157.3(4) . . . . ?
O12 Ba O15 C16 26.6(4) 6_556 . . . ?
P1 Ba O15 C16 -41.1(3) 6_556 . . . ?
P1 Ba O15 C16 138.3(3) . . . . ?
O15 Ba O22 C23 -27.1(12) . . . . ?
O15 Ba O22 C23 162.5(2) 6_556 . . . ?
O22 Ba O22 C23 -16.8(2) 6_556 . . . ?
O12 Ba O22 C23 20.3(3) . . . . ?
O12 Ba O22 C23 -163.0(3) 6_556 . . . ?
P1 Ba O22 C23 -93.8(2) 6_556 . . . ?
P1 Ba O22 C23 86.7(2) . . . . ?
O15 Ba O22 C21 -160.7(10) . . . . ?
O15 Ba O22 C21 28.9(3) 6_556 . . . ?
O22 Ba O22 C21 -150.4(3) 6_556 . . . ?
O12 Ba O22 C21 -113.3(3) . . . . ?
O12 Ba O22 C21 63.4(3) 6_556 . . . ?
P1 Ba O22 C21 132.6(3) 6_556 . . . ?
P1 Ba O22 C21 -46.9(3) . . . . ?
C21 O22 C23 C23 -176.5(3) . . . 6_556 ?
Ba O22 C23 C23 47.6(4) . . . 6_556 ?
