#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:54:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179517 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/14/4341432.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_4341432
loop_
_publ_author_name
'Dong, Xi-Yan'
'Hu, Xiao-Peng'
'Yao, Hong-Chang'
'Zang, Shuang-Quan'
'Hou, Hong-Wei'
'Mak, Thomas C.W.'
_publ_section_title
;
 Alkaline Earth Metal (Mg, Sr, Ba)--Organic Frameworks Based on
 2,2′,6,6′-Tetracarboxybiphenyl for Proton Conduction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              141103102542005
_journal_paper_doi               10.1021/ic5017593
_journal_year                    2014
_chemical_formula_sum            'C96 H98 Ba12 O79'
_chemical_formula_weight         4163.82
_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                 104.444(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.4778(17)
_cell_length_b                   13.9542(13)
_cell_length_c                   23.761(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6254.0(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0440
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            33405
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    3.823
_exptl_absorpt_correction_T_max  0.5462
_exptl_absorpt_correction_T_min  0.5152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    2.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3956
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.404
_refine_diff_density_min         -0.879
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     856
_refine_ls_number_reflns         11018
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                8724
_reflns_number_total             11018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5017593_si_002.cif
_cod_data_source_block           Ba-BPTC
_cod_original_cell_volume        6253.9(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4341432
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
Ba3 Ba 0.682366(19) 0.75179(3) 0.270333(19) 0.03228(12) Uani 1 1 d .
Ba4 Ba -0.164102(18) 0.92812(3) 0.194079(15) 0.02109(10) Uani 1 1 d .
Ba1 Ba 0.680114(19) 0.43885(3) 0.315129(16) 0.02485(10) Uani 1 1 d .
Ba2 Ba 0.468468(18) 0.44796(3) 0.361888(15) 0.02119(10) Uani 1 1 d .
Ba5 Ba 0.15623(2) 0.67145(3) 0.186577(18) 0.03147(12) Uani 1 1 d .
Ba6 Ba -0.022102(17) 0.44319(3) 0.373396(14) 0.01782(10) Uani 1 1 d .
C1 C 0.7471(3) 0.4259(4) 0.5145(2) 0.0151(12) Uani 1 1 d .
C2 C 0.6872(3) 0.3682(4) 0.4955(2) 0.0186(12) Uani 1 1 d .
C3 C 0.6894(3) 0.2730(5) 0.5104(3) 0.0283(15) Uani 1 1 d .
H3 H 0.6483 0.2362 0.5000 0.034 Uiso 1 1 calc R
C4 C 0.7522(4) 0.2313(5) 0.5410(3) 0.0377(17) Uani 1 1 d .
H4 H 0.7537 0.1667 0.5507 0.045 Uiso 1 1 calc R
C5 C 0.8123(3) 0.2865(5) 0.5568(3) 0.0310(15) Uani 1 1 d .
H5 H 0.8552 0.2577 0.5749 0.037 Uiso 1 1 calc R
C6 C 0.8102(3) 0.3828(4) 0.5463(2) 0.0187(12) Uani 1 1 d D
C7 C 0.7480(3) 0.5317(4) 0.5042(2) 0.0141(12) Uani 1 1 d .
C8 C 0.7891(3) 0.5717(4) 0.4696(2) 0.0170(12) Uani 1 1 d .
C9 C 0.7972(3) 0.6696(4) 0.4676(3) 0.0246(14) Uani 1 1 d .
H9 H 0.8261 0.6953 0.4455 0.029 Uiso 1 1 calc R
C10 C 0.7631(3) 0.7303(5) 0.4978(3) 0.0307(15) Uani 1 1 d .
H10 H 0.7684 0.7963 0.4955 0.037 Uiso 1 1 calc R
C11 C 0.7218(3) 0.6931(4) 0.5309(3) 0.0266(14) Uani 1 1 d .
H11 H 0.6985 0.7338 0.5510 0.032 Uiso 1 1 calc R
C12 C 0.7143(3) 0.5949(4) 0.5347(2) 0.0169(12) Uani 1 1 d .
C13 C 0.6195(3) 0.4000(4) 0.4528(2) 0.0213(13) Uani 1 1 d .
C14 C 0.8775(3) 0.4400(4) 0.5704(2) 0.0196(13) Uani 1 1 d D
C15 C 0.8250(3) 0.5089(4) 0.4352(2) 0.0189(13) Uani 1 1 d .
C16 C 0.6707(3) 0.5587(4) 0.5745(3) 0.0220(13) Uani 1 1 d .
C17 C 0.4154(3) 0.6262(4) 0.1986(2) 0.0192(13) Uani 1 1 d .
C18 C 0.4819(3) 0.5875(4) 0.1986(2) 0.0229(14) Uani 1 1 d .
C19 C 0.4959(3) 0.5549(5) 0.1471(3) 0.0305(16) Uani 1 1 d .
H19 H 0.5406 0.5306 0.1477 0.037 Uiso 1 1 calc R
C20 C 0.4446(4) 0.5581(5) 0.0955(3) 0.0383(18) Uani 1 1 d .
H20 H 0.4539 0.5350 0.0614 0.046 Uiso 1 1 calc R
C21 C 0.3788(3) 0.5963(5) 0.0951(3) 0.0322(16) Uani 1 1 d .
H21 H 0.3439 0.5980 0.0604 0.039 Uiso 1 1 calc R
C22 C 0.3636(3) 0.6319(4) 0.1449(2) 0.0227(13) Uani 1 1 d .
C23 C 0.4016(3) 0.6639(4) 0.2535(2) 0.0169(12) Uani 1 1 d .
C24 C 0.4360(3) 0.7474(4) 0.2774(3) 0.0206(13) Uani 1 1 d .
C25 C 0.4272(3) 0.7811(5) 0.3306(3) 0.0278(14) Uani 1 1 d .
H25 H 0.4523 0.8346 0.3479 0.033 Uiso 1 1 calc R
C26 C 0.3819(4) 0.7357(5) 0.3572(3) 0.0319(16) Uani 1 1 d .
H26 H 0.3763 0.7587 0.3925 0.038 Uiso 1 1 calc R
C27 C 0.3446(3) 0.6568(4) 0.3328(3) 0.0241(14) Uani 1 1 d .
H27 H 0.3120 0.6288 0.3504 0.029 Uiso 1 1 calc R
C28 C 0.3553(3) 0.6176(4) 0.2810(2) 0.0174(12) Uani 1 1 d .
C29 C 0.5416(3) 0.5796(4) 0.2530(3) 0.0222(13) Uani 1 1 d .
C30 C 0.2918(3) 0.6747(5) 0.1413(3) 0.0248(14) Uani 1 1 d .
C31 C 0.4819(3) 0.8022(4) 0.2463(3) 0.0234(14) Uani 1 1 d .
C32 C 0.3167(3) 0.5268(4) 0.2579(2) 0.0186(13) Uani 1 1 d .
C33 C -0.1080(3) 0.6057(4) 0.1981(2) 0.0171(12) Uani 1 1 d .
C34 C -0.1765(3) 0.6120(4) 0.1598(3) 0.0230(13) Uani 1 1 d .
C35 C -0.1909(3) 0.5609(5) 0.1078(3) 0.0317(16) Uani 1 1 d .
H35 H -0.2363 0.5627 0.0833 0.038 Uiso 1 1 calc R
C36 C -0.1389(4) 0.5072(5) 0.0919(3) 0.0327(16) Uani 1 1 d .
H36 H -0.1485 0.4764 0.0561 0.039 Uiso 1 1 calc R
C37 C -0.0718(3) 0.4998(5) 0.1301(3) 0.0273(14) Uani 1 1 d .
H37 H -0.0370 0.4633 0.1197 0.033 Uiso 1 1 calc R
C38 C -0.0567(3) 0.5457(4) 0.1828(2) 0.0180(12) Uani 1 1 d D
C39 C -0.0865(3) 0.6620(4) 0.2526(2) 0.0166(12) Uani 1 1 d .
C40 C -0.0353(3) 0.7346(4) 0.2560(2) 0.0168(12) Uani 1 1 d .
C41 C -0.0057(3) 0.7793(4) 0.3088(3) 0.0238(14) Uani 1 1 d .
H41 H 0.0305 0.8238 0.3114 0.029 Uiso 1 1 calc R
C42 C -0.0297(3) 0.7582(4) 0.3572(3) 0.0258(14) Uani 1 1 d .
H42 H -0.0095 0.7880 0.3924 0.031 Uiso 1 1 calc R
C43 C -0.0837(3) 0.6928(4) 0.3532(2) 0.0250(14) Uani 1 1 d .
H43 H -0.1016 0.6812 0.3854 0.030 Uiso 1 1 calc R
C44 C -0.1121(3) 0.6435(4) 0.3009(2) 0.0190(13) Uani 1 1 d D
C45 C -0.2343(3) 0.6736(5) 0.1727(3) 0.0272(15) Uani 1 1 d .
C46 C 0.0148(3) 0.5247(4) 0.2247(2) 0.0189(13) Uani 1 1 d D
C47 C -0.0158(3) 0.7719(4) 0.2024(2) 0.0207(13) Uani 1 1 d .
C48 C -0.1687(3) 0.5673(4) 0.2988(2) 0.0228(14) Uani 1 1 d D
O1 O 0.6241(2) 0.4563(3) 0.41238(17) 0.0274(10) Uani 1 1 d .
O2 O 0.5621(2) 0.3657(3) 0.45854(19) 0.0366(11) Uani 1 1 d .
O3 O 0.9347(2) 0.4085(3) 0.56281(18) 0.0310(11) Uani 1 1 d .
O4 O 0.8744(2) 0.5138(3) 0.59927(17) 0.0259(10) Uani 1 1 d .
O5 O 0.8881(2) 0.5266(3) 0.43412(16) 0.0232(9) Uani 1 1 d .
O6 O 0.7899(2) 0.4386(3) 0.40797(17) 0.0240(10) Uani 1 1 d .
O7 O 0.6069(2) 0.5436(4) 0.55418(19) 0.0431(13) Uani 1 1 d .
O8 O 0.7015(2) 0.5496(4) 0.62820(18) 0.0368(12) Uani 1 1 d .
O9 O 0.5282(2) 0.5667(3) 0.30113(18) 0.0301(11) Uani 1 1 d .
O10 O 0.6037(2) 0.5851(3) 0.24569(18) 0.0312(11) Uani 1 1 d .
O11 O 0.2398(2) 0.6304(4) 0.1111(2) 0.0427(13) Uani 1 1 d .
O12 O 0.2864(2) 0.7490(3) 0.1693(2) 0.0325(11) Uani 1 1 d .
O13 O 0.4515(2) 0.8538(4) 0.2048(2) 0.0429(13) Uani 1 1 d .
O14 O 0.5470(2) 0.7945(4) 0.2636(3) 0.0552(15) Uani 1 1 d .
O15 O 0.3507(2) 0.4519(3) 0.25847(18) 0.0263(10) Uani 1 1 d .
O16 O 0.2489(2) 0.5330(3) 0.24016(18) 0.0292(10) Uani 1 1 d .
O17 O -0.2191(2) 0.7523(3) 0.19703(19) 0.0287(10) Uani 1 1 d .
O18 O -0.2961(2) 0.6403(4) 0.1573(3) 0.0525(14) Uani 1 1 d .
O19 O 0.0687(2) 0.5230(3) 0.20409(17) 0.0286(10) Uani 1 1 d .
O20 O 0.0176(2) 0.5054(3) 0.27630(17) 0.0295(10) Uani 1 1 d .
O21 O 0.0483(2) 0.7761(3) 0.20242(18) 0.0309(11) Uani 1 1 d .
O22 O -0.0650(2) 0.8034(3) 0.16211(16) 0.0254(10) Uani 1 1 d .
O23 O -0.1514(2) 0.4820(3) 0.29660(17) 0.0271(10) Uani 1 1 d .
O24 O -0.2297(2) 0.5963(3) 0.3003(2) 0.0364(12) Uani 1 1 d .
O1W O 0.6868(3) 0.4458(4) 0.1884(2) 0.0544(15) Uani 1 1 d .
H1WB H 0.7129 0.4090 0.1893 0.065 Uiso 1 1 d R
H1WA H 0.6924 0.5113 0.1780 0.082 Uiso 1 1 d R
O2W O 0.4115(3) 0.2594(4) 0.3536(3) 0.0606(16) Uani 1 1 d .
H2WA H 0.3873 0.2506 0.3784 0.073 Uiso 1 1 d R
H2WB H 0.4442 0.2176 0.3587 0.073 Uiso 1 1 d R
O3W O 0.5115(2) 0.5968(4) 0.44806(19) 0.0386(12) Uani 1 1 d .
H3WA H 0.5565 0.5996 0.4582 0.058 Uiso 1 1 d R
H3WB H 0.4958 0.5840 0.4776 0.058 Uiso 1 1 d R
O4W O 0.6478(3) 0.6499(4) 0.3699(2) 0.0674(18) Uani 1 1 d .
H4WA H 0.6839 0.6184 0.3881 0.101 Uiso 1 1 d R
H4WB H 0.6135 0.6117 0.3572 0.101 Uiso 1 1 d R
O5W O 0.6506(4) 0.8587(6) 0.3665(4) 0.117(3) Uani 1 1 d .
H5WA H 0.6738 0.8350 0.3985 0.176 Uiso 1 1 d R
H5WB H 0.6625 0.9169 0.3644 0.176 Uiso 1 1 d R
O6W O 0.8052(3) 0.8642(4) 0.3116(2) 0.0513(14) Uani 1 1 d .
H6WA H 0.8391 0.8314 0.3321 0.062 Uiso 1 1 d R
H6WB H 0.7970 0.9119 0.3312 0.062 Uiso 1 1 d R
O7W O 0.1466(3) 0.6396(3) 0.30570(18) 0.0407(12) Uani 1 1 d .
H7WA H 0.1747 0.6629 0.3267 0.049 Uiso 1 1 d R
H7WB H 0.1066 0.6563 0.3108 0.049 Uiso 1 1 d R
O8W O 0.0750(3) 0.6029(5) 0.0778(3) 0.0726(18) Uani 1 1 d .
H8WB H 0.0954 0.5544 0.0677 0.109 Uiso 1 1 d R
H8WA H 0.0340 0.5870 0.0810 0.109 Uiso 1 1 d R
O9W O 0.1176(2) 0.8033(3) 0.09732(19) 0.0330(11) Uani 1 1 d .
H9WB H 0.1462 0.8504 0.1038 0.050 Uiso 1 1 d R
H9WC H 0.1193 0.7765 0.0655 0.050 Uiso 1 1 d R
O10W O 0.1995(3) 0.8195(4) 0.2713(3) 0.087(2) Uani 1 1 d .
H10A H 0.2007 0.8791 0.2522 0.131 Uiso 1 1 d R
H10B H 0.2135 0.7829 0.3005 0.131 Uiso 1 1 d R
O11W O 0.0187(2) 0.3722(3) 0.48700(17) 0.0316(11) Uani 1 1 d .
H11A H -0.0165 0.3739 0.5021 0.047 Uiso 1 1 d R
H11B H 0.0520 0.4066 0.5070 0.047 Uiso 1 1 d R
O12W O 0.6018(4) 0.4343(6) 0.0680(3) 0.027(2) Uani 0.50 1 d PU
H12A H 0.6268 0.4380 0.1027 0.032 Uiso 0.50 1 d PR
H12B H 0.5845 0.3883 0.0634 0.040 Uiso 0.50 1 d PR
O13W O 0.6292(7) 0.5944(9) 0.0201(5) 0.099(6) Uani 0.50 1 d P
H13A H 0.6407 0.5656 0.0526 0.119 Uiso 0.50 1 d PR
H13B H 0.5843 0.5963 0.0082 0.149 Uiso 0.50 1 d PR
O14W O 0.9450(3) 0.6953(4) 0.0456(3) 0.0638(16) Uani 1 1 d .
H14A H 0.9114 0.6835 0.0616 0.077 Uiso 1 1 d R
H14B H 0.9443 0.7543 0.0366 0.096 Uiso 1 1 d R
O15W O 0.5002(6) 0.2044(7) 0.5058(4) 0.056(3) Uani 0.50 1 d P
H15B H 0.4944 0.2478 0.4799 0.067 Uiso 0.50 1 d PR
H15A H 0.5239 0.2216 0.5322 0.084 Uiso 0.50 1 d PR
O16W O 0.2416(4) 0.4624(5) 0.0587(3) 0.103(3) Uani 1 1 d .
H16B H 0.2408 0.5158 0.0757 0.124 Uiso 1 1 d R
H16A H 0.2709 0.4654 0.0375 0.155 Uiso 1 1 d R
O17W O 0.1103(4) 0.4079(5) 0.0598(3) 0.100(2) Uani 1 1 d .
H17A H 0.0943 0.3773 0.0287 0.150 Uiso 1 1 d R
H17B H 0.1541 0.4046 0.0602 0.150 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'
O O 0.0106 0.0060 '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
O14 Ba3 O24 137.30(14) . 1_655
O14 Ba3 O10 71.83(15) . .
O24 Ba3 O10 70.57(13) 1_655 .
O14 Ba3 O6W 129.48(17) . .
O24 Ba3 O6W 85.93(14) 1_655 .
O10 Ba3 O6W 156.48(14) . .
O14 Ba3 O17 139.16(15) . 1_655
O24 Ba3 O17 72.17(12) 1_655 1_655
O10 Ba3 O17 106.85(12) . 1_655
O6W Ba3 O17 64.93(14) . 1_655
O14 Ba3 O15 67.32(14) . 2_655
O24 Ba3 O15 155.05(12) 1_655 2_655
O10 Ba3 O15 132.77(12) . 2_655
O6W Ba3 O15 70.55(13) . 2_655
O17 Ba3 O15 89.84(12) 1_655 2_655
O14 Ba3 O5W 62.2(2) . .
O24 Ba3 O5W 116.15(19) 1_655 .
O10 Ba3 O5W 112.4(2) . .
O6W Ba3 O5W 76.8(2) . .
O17 Ba3 O5W 140.41(19) 1_655 .
O15 Ba3 O5W 67.42(19) 2_655 .
O14 Ba3 O4W 74.85(16) . .
O24 Ba3 O4W 70.51(16) 1_655 .
O10 Ba3 O4W 62.85(14) . .
O6W Ba3 O4W 109.21(14) . .
O17 Ba3 O4W 142.56(15) 1_655 .
O15 Ba3 O4W 124.40(15) 2_655 .
O5W Ba3 O4W 59.2(2) . .
O14 Ba3 O2W 65.76(16) . 2_655
O24 Ba3 O2W 117.53(14) 1_655 2_655
O10 Ba3 O2W 70.04(13) . 2_655
O6W Ba3 O2W 124.53(15) . 2_655
O17 Ba3 O2W 75.38(13) 1_655 2_655
O15 Ba3 O2W 72.29(13) 2_655 2_655
O5W Ba3 O2W 122.90(18) . 2_655
O4W Ba3 O2W 125.64(15) . 2_655
O14 Ba3 O18 112.95(16) . 1_655
O24 Ba3 O18 68.42(14) 1_655 1_655
O10 Ba3 O18 66.28(13) . 1_655
O6W Ba3 O18 106.41(14) . 1_655
O17 Ba3 O18 41.91(12) 1_655 1_655
O15 Ba3 O18 109.56(13) 2_655 1_655
O5W Ba3 O18 174.87(17) . 1_655
O4W Ba3 O18 122.28(16) . 1_655
O2W Ba3 O18 52.01(13) 2_655 1_655
O14 Ba3 C45 132.63(17) . 1_655
O24 Ba3 C45 62.69(14) 1_655 1_655
O10 Ba3 C45 85.27(14) . 1_655
O6W Ba3 C45 84.60(16) . 1_655
O17 Ba3 C45 21.59(13) 1_655 1_655
O15 Ba3 C45 105.55(13) 2_655 1_655
O5W Ba3 C45 161.3(2) . 1_655
O4W Ba3 C45 130.04(17) . 1_655
O2W Ba3 C45 67.57(15) 2_655 1_655
O18 Ba3 C45 22.04(13) 1_655 1_655
O14 Ba3 Ba1 99.38(12) . .
O24 Ba3 Ba1 38.16(9) 1_655 .
O10 Ba3 Ba1 36.50(9) . .
O6W Ba3 Ba1 120.96(10) . .
O17 Ba3 Ba1 101.05(8) 1_655 .
O15 Ba3 Ba1 166.70(8) 2_655 .
O5W Ba3 Ba1 107.12(18) . .
O4W Ba3 Ba1 47.99(13) . .
O2W Ba3 Ba1 102.88(10) 2_655 .
O18 Ba3 Ba1 74.89(10) 1_655 .
C45 Ba3 Ba1 83.23(11) 1_655 .
O4 Ba4 O17 119.81(13) 4_475 .
O4 Ba4 O8 84.97(13) 4_475 4_475
O17 Ba4 O8 77.65(14) . 4_475
O4 Ba4 O22 66.91(12) 4_475 .
O17 Ba4 O22 75.46(12) . .
O8 Ba4 O22 122.58(12) 4_475 .
O4 Ba4 O16 127.73(12) 4_475 2
O17 Ba4 O16 99.24(12) . 2
O8 Ba4 O16 70.08(12) 4_475 2
O22 Ba4 O16 163.59(11) . 2
O4 Ba4 O20 68.52(12) 4_475 2
O17 Ba4 O20 133.80(13) . 2
O8 Ba4 O20 145.92(14) 4_475 2
O22 Ba4 O20 66.94(12) . 2
O16 Ba4 O20 109.20(11) 2 2
O4 Ba4 O19 107.53(12) 4_475 2
O17 Ba4 O19 123.98(12) . 2
O8 Ba4 O19 137.47(13) 4_475 2
O22 Ba4 O19 99.34(11) . 2
O16 Ba4 O19 70.41(11) 2 2
O20 Ba4 O19 43.54(11) 2 2
O4 Ba4 O7W 69.12(12) 4_475 2
O17 Ba4 O7W 162.60(13) . 2
O8 Ba4 O7W 88.92(14) 4_475 2
O22 Ba4 O7W 121.59(13) . 2
O16 Ba4 O7W 65.38(12) 2 2
O20 Ba4 O7W 62.31(13) 2 2
O19 Ba4 O7W 60.47(12) 2 2
O4 Ba4 O6W 174.67(12) 4_475 1_455
O17 Ba4 O6W 63.24(13) . 1_455
O8 Ba4 O6W 100.14(13) 4_475 1_455
O22 Ba4 O6W 110.98(12) . 1_455
O16 Ba4 O6W 53.71(13) 2 1_455
O20 Ba4 O6W 106.18(12) 2 1_455
O19 Ba4 O6W 67.66(12) 2 1_455
O7W Ba4 O6W 109.23(13) 2 1_455
O4 Ba4 C46 88.71(13) 4_475 2
O17 Ba4 C46 130.38(13) . 2
O8 Ba4 C46 149.49(14) 4_475 2
O22 Ba4 C46 81.39(13) . 2
O16 Ba4 C46 90.90(13) 2 2
O20 Ba4 C46 21.67(12) 2 2
O19 Ba4 C46 22.07(12) 2 2
O7W Ba4 C46 61.04(13) 2 2
O6W Ba4 C46 86.10(13) 1_455 2
O4 Ba4 Ba6 40.00(8) 4_475 2
O17 Ba4 Ba6 115.55(9) . 2
O8 Ba4 Ba6 123.98(9) 4_475 2
O22 Ba4 Ba6 40.64(8) . 2
O16 Ba4 Ba6 144.10(8) 2 2
O20 Ba4 Ba6 39.05(8) 2 2
O19 Ba4 Ba6 82.41(8) 2 2
O7W Ba4 Ba6 81.11(9) 2 2
O6W Ba4 Ba6 135.25(9) 1_455 2
C46 Ba4 Ba6 60.35(10) 2 2
O4 Ba4 Ba5 109.70(9) 4_475 2
O17 Ba4 Ba5 129.65(9) . 2
O8 Ba4 Ba5 99.03(10) 4_475 2
O22 Ba4 Ba5 136.75(8) . 2
O16 Ba4 Ba5 37.41(8) 2 2
O20 Ba4 Ba5 71.95(8) 2 2
O19 Ba4 Ba5 38.46(8) 2 2
O7W Ba4 Ba5 41.16(8) 2 2
O6W Ba4 Ba5 68.20(10) 1_455 2
C46 Ba4 Ba5 55.40(10) 2 2
Ba6 Ba4 Ba5 107.693(10) 2 2
O6 Ba1 O12 76.76(13) . 2_645
O6 Ba1 O13 131.45(14) . 2_645
O12 Ba1 O13 77.62(14) 2_645 2_645
O6 Ba1 O1 73.39(12) . .
O12 Ba1 O1 95.82(13) 2_645 .
O13 Ba1 O1 69.04(13) 2_645 .
O6 Ba1 O10 133.38(13) . .
O12 Ba1 O10 149.17(13) 2_645 .
O13 Ba1 O10 83.01(14) 2_645 .
O1 Ba1 O10 99.38(12) . .
O6 Ba1 O24 73.44(13) . 1_655
O12 Ba1 O24 128.50(12) 2_645 1_655
O13 Ba1 O24 150.96(14) 2_645 1_655
O1 Ba1 O24 114.08(13) . 1_655
O10 Ba1 O24 67.96(12) . 1_655
O6 Ba1 O1W 126.55(13) . .
O12 Ba1 O1W 95.59(14) 2_645 .
O13 Ba1 O1W 96.37(14) 2_645 .
O1 Ba1 O1W 158.99(13) . .
O10 Ba1 O1W 62.81(13) . .
O24 Ba1 O1W 71.24(14) 1_655 .
O6 Ba1 Ba3 98.30(9) . .
O12 Ba1 Ba3 163.29(9) 2_645 .
O13 Ba1 Ba3 116.18(11) 2_645 .
O1 Ba1 Ba3 98.02(9) . .
O10 Ba1 Ba3 35.90(9) . .
O24 Ba1 Ba3 35.95(8) 1_655 .
O1W Ba1 Ba3 74.33(10) . .
O9 Ba2 O7 138.80(15) . 3_666
O9 Ba2 O2 114.73(12) . .
O7 Ba2 O2 77.28(13) 3_666 .
O9 Ba2 O13 66.70(15) . 2_645
O7 Ba2 O13 153.87(16) 3_666 2_645
O2 Ba2 O13 86.04(14) . 2_645
O9 Ba2 O2W 139.26(15) . .
O7 Ba2 O2W 79.69(16) 3_666 .
O2 Ba2 O2W 80.82(16) . .
O13 Ba2 O2W 77.88(16) 2_645 .
O9 Ba2 O3W 81.22(13) . .
O7 Ba2 O3W 64.50(14) 3_666 .
O2 Ba2 O3W 72.47(14) . .
O13 Ba2 O3W 129.17(13) 2_645 .
O2W Ba2 O3W 138.89(15) . .
O9 Ba2 O15 83.64(12) . .
O7 Ba2 O15 99.20(12) 3_666 .
O2 Ba2 O15 156.18(13) . .
O13 Ba2 O15 87.97(13) 2_645 .
O2W Ba2 O15 75.39(15) . .
O3W Ba2 O15 127.73(12) . .
O9 Ba2 O1 69.69(12) . .
O7 Ba2 O1 112.30(12) 3_666 .
O2 Ba2 O1 45.09(12) . .
O13 Ba2 O1 65.95(12) 2_645 .
O2W Ba2 O1 113.92(15) . .
O3W Ba2 O1 66.37(12) . .
O15 Ba2 O1 148.12(11) . .
O9 Ba2 C16 139.67(14) . 3_666
O7 Ba2 C16 19.56(13) 3_666 3_666
O2 Ba2 C16 93.02(14) . 3_666
O13 Ba2 C16 148.12(14) 2_645 3_666
O2W Ba2 C16 70.54(15) . 3_666
O3W Ba2 C16 80.10(13) . 3_666
O15 Ba2 C16 80.15(13) . 3_666
O1 Ba2 C16 131.62(13) . 3_666
O9 Ba2 Ba3 106.92(9) . 2_645
O7 Ba2 Ba3 98.87(10) 3_666 2_645
O2 Ba2 Ba3 119.23(10) . 2_645
O13 Ba2 Ba3 71.83(9) 2_645 2_645
O2W Ba2 Ba3 40.04(12) . 2_645
O3W Ba2 Ba3 158.35(9) . 2_645
O15 Ba2 Ba3 37.38(8) . 2_645
O1 Ba2 Ba3 135.14(8) . 2_645
C16 Ba2 Ba3 81.08(10) 3_666 2_645
O21 Ba5 O16 140.83(13) . .
O21 Ba5 O9W 70.76(13) . .
O16 Ba5 O9W 148.10(13) . .
O21 Ba5 O11 144.92(14) . .
O16 Ba5 O11 74.24(14) . .
O9W Ba5 O11 74.44(14) . .
O21 Ba5 O19 81.49(13) . .
O16 Ba5 O19 76.24(12) . .
O9W Ba5 O19 123.42(12) . .
O11 Ba5 O19 115.16(14) . .
O21 Ba5 O8W 91.88(15) . .
O16 Ba5 O8W 109.86(16) . .
O9W Ba5 O8W 62.79(16) . .
O11 Ba5 O8W 67.96(15) . .
O19 Ba5 O8W 70.22(16) . .
O21 Ba5 O10W 66.97(16) . .
O16 Ba5 O10W 97.96(15) . .
O9W Ba5 O10W 92.02(16) . .
O11 Ba5 O10W 119.21(18) . .
O19 Ba5 O10W 121.13(18) . .
O8W Ba5 O10W 152.04(18) . .
O21 Ba5 O12 124.66(13) . .
O16 Ba5 O12 80.16(12) . .
O9W Ba5 O12 73.81(12) . .
O11 Ba5 O12 45.85(13) . .
O19 Ba5 O12 153.70(12) . .
O8W Ba5 O12 107.92(16) . .
O10W Ba5 O12 73.36(18) . .
O21 Ba5 O7W 72.66(13) . .
O16 Ba5 O7W 68.61(13) . .
O9W Ba5 O7W 140.74(13) . .
O11 Ba5 O7W 142.04(14) . .
O19 Ba5 O7W 63.30(12) . .
O8W Ba5 O7W 132.50(16) . .
O10W Ba5 O7W 60.43(17) . .
O12 Ba5 O7W 117.92(13) . .
O21 Ba5 Ba4 103.53(9) . 2_545
O16 Ba5 Ba4 40.68(9) . 2_545
O9W Ba5 Ba4 165.02(9) . 2_545
O11 Ba5 Ba4 109.05(11) . 2_545
O19 Ba5 Ba4 41.65(8) . 2_545
O8W Ba5 Ba4 104.39(14) . 2_545
O10W Ba5 Ba4 98.46(14) . 2_545
O12 Ba5 Ba4 119.43(9) . 2_545
O7W Ba5 Ba4 42.08(9) . 2_545
O21 Ba5 Ba6 35.74(9) . 2
O16 Ba5 Ba6 168.63(9) . 2
O9W Ba5 Ba6 36.27(9) . 2
O11 Ba5 Ba6 110.40(11) . 2
O19 Ba5 Ba6 109.67(9) . 2
O8W Ba5 Ba6 81.47(13) . 2
O10W Ba5 Ba6 70.68(12) . 2
O12 Ba5 Ba6 95.62(9) . 2
O7W Ba5 Ba6 104.82(9) . 2
Ba4 Ba5 Ba6 139.232(12) 2_545 2
O20 Ba6 O23 77.61(12) . .
O20 Ba6 O5 130.32(12) . 1_455
O23 Ba6 O5 70.98(12) . 1_455
O20 Ba6 O11W 148.14(12) . .
O23 Ba6 O11W 134.23(12) . .
O5 Ba6 O11W 73.28(12) 1_455 .
O20 Ba6 O22 69.81(12) . 2_545
O23 Ba6 O22 116.73(12) . 2_545
O5 Ba6 O22 159.62(12) 1_455 2_545
O11W Ba6 O22 89.79(12) . 2_545
O20 Ba6 O4 69.27(12) . 3_666
O23 Ba6 O4 144.01(12) . 3_666
O5 Ba6 O4 121.49(11) 1_455 3_666
O11W Ba6 O4 80.02(12) . 3_666
O22 Ba6 O4 64.53(12) 2_545 3_666
O20 Ba6 O3 87.81(13) . 3_666
O23 Ba6 O3 122.05(12) . 3_666
O5 Ba6 O3 77.94(12) 1_455 3_666
O11W Ba6 O3 75.90(13) . 3_666
O22 Ba6 O3 109.41(12) 2_545 3_666
O4 Ba6 O3 45.06(12) 3_666 3_666
O20 Ba6 O21 77.06(13) . 2_545
O23 Ba6 O21 76.04(12) . 2_545
O5 Ba6 O21 128.27(11) 1_455 2_545
O11W Ba6 O21 106.10(13) . 2_545
O22 Ba6 O21 45.08(11) 2_545 2_545
O4 Ba6 O21 108.71(11) 3_666 2_545
O3 Ba6 O21 153.59(11) 3_666 2_545
O20 Ba6 O9W 138.18(13) . 2_545
O23 Ba6 O9W 75.94(12) . 2_545
O5 Ba6 O9W 68.50(12) 1_455 2_545
O11W Ba6 O9W 64.86(12) . 2_545
O22 Ba6 O9W 94.32(12) 2_545 2_545
O4 Ba6 O9W 139.37(12) 3_666 2_545
O3 Ba6 O9W 133.83(12) 3_666 2_545
O21 Ba6 O9W 65.51(12) 2_545 2_545
O20 Ba6 C47 67.00(14) . 2_545
O23 Ba6 C47 94.30(14) . 2_545
O5 Ba6 C47 150.45(13) 1_455 2_545
O11W Ba6 C47 103.28(14) . 2_545
O22 Ba6 C47 23.09(13) 2_545 2_545
O4 Ba6 C47 85.64(13) 3_666 2_545
O3 Ba6 C47 130.55(13) 3_666 2_545
O21 Ba6 C47 23.08(13) 2_545 2_545
O9W Ba6 C47 83.32(13) 2_545 2_545
O20 Ba6 C14 77.90(13) . 3_666
O23 Ba6 C14 136.68(13) . 3_666
O5 Ba6 C14 99.76(13) 1_455 3_666
O11W Ba6 C14 76.77(13) . 3_666
O22 Ba6 C14 86.91(13) 2_545 3_666
O4 Ba6 C14 22.48(13) 3_666 3_666
O3 Ba6 C14 22.58(13) 3_666 3_666
O21 Ba6 C14 131.15(13) 2_545 3_666
O9W Ba6 C14 141.60(13) 2_545 3_666
C47 Ba6 C14 108.07(15) 2_545 3_666
O20 Ba6 Ba4 42.83(8) . 2_545
O23 Ba6 Ba4 118.34(9) . 2_545
O5 Ba6 Ba4 155.01(8) 1_455 2_545
O11W Ba6 Ba4 106.12(8) . 2_545
O22 Ba6 Ba4 40.49(8) 2_545 2_545
O4 Ba6 Ba4 37.07(8) 3_666 2_545
O3 Ba6 Ba4 77.76(8) 3_666 2_545
O21 Ba6 Ba4 76.43(8) 2_545 2_545
O9W Ba6 Ba4 134.81(9) 2_545 2_545
C47 Ba6 Ba4 54.54(10) 2_545 2_545
C14 Ba6 Ba4 56.90(10) 3_666 2_545
C2 C1 C6 118.3(5) . .
C2 C1 C7 124.0(5) . .
C6 C1 C7 117.8(5) . .
C3 C2 C1 120.4(5) . .
C3 C2 C13 115.0(5) . .
C1 C2 C13 124.3(5) . .
C2 C3 C4 120.5(6) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C5 C4 C3 119.3(6) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C6 C5 C4 121.2(6) . .
C6 C5 H5 119.4 . .
C4 C5 H5 119.4 . .
C5 C6 C1 120.1(5) . .
C5 C6 C14 117.7(5) . .
C1 C6 C14 122.2(5) . .
C8 C7 C12 117.6(5) . .
C8 C7 C1 121.4(5) . .
C12 C7 C1 120.5(5) . .
C9 C8 C7 120.2(5) . .
C9 C8 C15 119.4(5) . .
C7 C8 C15 120.3(5) . .
C8 C9 C10 121.0(6) . .
C8 C9 H9 119.5 . .
C10 C9 H9 119.5 . .
C11 C10 C9 119.8(6) . .
C11 C10 H10 120.1 . .
C9 C10 H10 120.1 . .
C10 C11 C12 120.2(6) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C11 C12 C7 121.1(5) . .
C11 C12 C16 117.3(5) . .
C7 C12 C16 121.6(5) . .
O2 C13 O1 123.6(5) . .
O2 C13 C2 117.8(5) . .
O1 C13 C2 118.5(5) . .
O4 C14 O3 122.4(5) . .
O4 C14 C6 119.0(5) . .
O3 C14 C6 118.5(5) . .
O4 C14 Ba6 60.9(3) . 3_666
O3 C14 Ba6 61.5(3) . 3_666
C6 C14 Ba6 177.6(4) . 3_666
O5 C15 O6 122.9(5) . .
O5 C15 C8 119.3(5) . .
O6 C15 C8 117.7(5) . .
O7 C16 O8 123.5(6) . .
O7 C16 C12 118.8(5) . .
O8 C16 C12 117.6(5) . .
O7 C16 Ba2 48.4(3) . 3_666
O8 C16 Ba2 77.4(3) . 3_666
C12 C16 Ba2 156.9(4) . 3_666
C18 C17 C22 118.1(5) . .
C18 C17 C23 120.2(5) . .
C22 C17 C23 121.7(5) . .
C19 C18 C17 120.5(5) . .
C19 C18 C29 116.7(5) . .
C17 C18 C29 122.8(5) . .
C20 C19 C18 120.9(6) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C21 118.8(6) . .
C19 C20 H20 120.6 . .
C21 C20 H20 120.6 . .
C22 C21 C20 121.9(6) . .
C22 C21 H21 119.0 . .
C20 C21 H21 119.0 . .
C21 C22 C17 119.6(6) . .
C21 C22 C30 119.3(5) . .
C17 C22 C30 121.0(5) . .
C24 C23 C28 119.7(5) . .
C24 C23 C17 118.7(5) . .
C28 C23 C17 121.6(5) . .
C23 C24 C25 119.8(5) . .
C23 C24 C31 120.5(5) . .
C25 C24 C31 119.7(5) . .
C26 C25 C24 120.1(6) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 C27 120.9(6) . .
C25 C26 H26 119.5 . .
C27 C26 H26 119.5 . .
C26 C27 C28 120.4(6) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C23 C28 C27 118.9(5) . .
C23 C28 C32 122.7(5) . .
C27 C28 C32 118.4(5) . .
O9 C29 O10 124.0(5) . .
O9 C29 C18 120.1(5) . .
O10 C29 C18 115.8(5) . .
O12 C30 O11 123.5(6) . .
O12 C30 C22 120.0(5) . .
O11 C30 C22 116.4(6) . .
O14 C31 O13 124.0(6) . .
O14 C31 C24 118.7(6) . .
O13 C31 C24 117.3(5) . .
O15 C32 O16 124.4(6) . .
O15 C32 C28 119.3(5) . .
O16 C32 C28 116.2(5) . .
C34 C33 C38 118.8(5) . .
C34 C33 C39 122.9(5) . .
C38 C33 C39 118.2(5) . .
C35 C34 C33 119.2(6) . .
C35 C34 C45 118.4(5) . .
C33 C34 C45 122.4(5) . .
C36 C35 C34 121.2(6) . .
C36 C35 H35 119.4 . .
C34 C35 H35 119.4 . .
C35 C36 C37 119.5(6) . .
C35 C36 H36 120.3 . .
C37 C36 H36 120.3 . .
C38 C37 C36 120.8(6) . .
C38 C37 H37 119.6 . .
C36 C37 H37 119.6 . .
C37 C38 C33 120.3(5) . .
C37 C38 C46 117.3(5) . .
C33 C38 C46 122.2(5) . .
C44 C39 C40 118.8(5) . .
C44 C39 C33 122.9(5) . .
C40 C39 C33 118.2(5) . .
C41 C40 C39 120.2(5) . .
C41 C40 C47 118.1(5) . .
C39 C40 C47 121.5(5) . .
C42 C41 C40 120.4(6) . .
C42 C41 H41 119.8 . .
C40 C41 H41 119.8 . .
C43 C42 C41 119.8(6) . .
C43 C42 H42 120.1 . .
C41 C42 H42 120.1 . .
C42 C43 C44 120.5(5) . .
C42 C43 H43 119.7 . .
C44 C43 H43 119.7 . .
C39 C44 C43 119.9(5) . .
C39 C44 C48 120.6(5) . .
C43 C44 C48 119.4(5) . .
O17 C45 O18 124.3(6) . .
O17 C45 C34 119.6(5) . .
O18 C45 C34 116.1(6) . .
O17 C45 Ba3 59.1(3) . 1_455
O18 C45 Ba3 74.1(4) . 1_455
C34 C45 Ba3 147.9(4) . 1_455
O20 C46 O19 122.8(5) . .
O20 C46 C38 119.5(5) . .
O19 C46 C38 117.6(5) . .
O20 C46 Ba4 61.7(3) . 2_545
O19 C46 Ba4 62.0(3) . 2_545
C38 C46 Ba4 167.1(4) . 2_545
O21 C47 O22 123.8(5) . .
O21 C47 C40 118.5(5) . .
O22 C47 C40 117.4(5) . .
O21 C47 Ba6 66.0(3) . 2
O22 C47 Ba6 63.0(3) . 2
C40 C47 Ba6 151.4(4) . 2
O23 C48 O24 125.0(5) . .
O23 C48 C44 118.0(5) . .
O24 C48 C44 117.0(5) . .
C13 O1 Ba1 133.6(4) . .
C13 O1 Ba2 91.4(3) . .
Ba1 O1 Ba2 103.39(12) . .
C13 O2 Ba2 99.8(4) . .
C14 O3 Ba6 95.9(3) . 3_666
C14 O4 Ba4 141.0(4) . 4_676
C14 O4 Ba6 96.6(3) . 3_666
Ba4 O4 Ba6 102.93(12) 4_676 3_666
C15 O5 Ba6 132.1(4) . 1_655
C15 O6 Ba1 129.6(4) . .
C16 O7 Ba2 112.1(4) . 3_666
C16 O8 Ba4 135.4(4) . 4_676
C29 O9 Ba2 144.1(4) . .
C29 O10 Ba3 121.3(4) . .
C29 O10 Ba1 105.1(4) . .
Ba3 O10 Ba1 107.61(14) . .
C30 O11 Ba5 92.8(4) . .
C30 O12 Ba1 145.9(4) . 2_655
C30 O12 Ba5 87.6(4) . .
Ba1 O12 Ba5 122.27(16) 2_655 .
C31 O13 Ba1 128.6(4) . 2_655
C31 O13 Ba2 119.7(4) . 2_655
Ba1 O13 Ba2 108.94(16) 2_655 2_655
C31 O14 Ba3 162.9(5) . .
C32 O15 Ba3 136.3(4) . 2_645
C32 O15 Ba2 109.5(4) . .
Ba3 O15 Ba2 105.16(13) 2_645 .
C32 O16 Ba5 134.9(4) . .
C32 O16 Ba4 117.5(3) . 2_545
Ba5 O16 Ba4 101.91(13) . 2_545
C45 O17 Ba4 147.8(4) . .
C45 O17 Ba3 99.3(4) . 1_455
Ba4 O17 Ba3 110.27(15) . 1_455
C45 O18 Ba3 83.8(4) . 1_455
C46 O19 Ba5 130.1(4) . .
C46 O19 Ba4 96.0(3) . 2_545
Ba5 O19 Ba4 99.88(12) . 2_545
C46 O20 Ba6 160.7(4) . .
C46 O20 Ba4 96.6(3) . 2_545
Ba6 O20 Ba4 98.12(12) . 2_545
C47 O21 Ba5 143.0(4) . .
C47 O21 Ba6 91.0(3) . 2
Ba5 O21 Ba6 111.99(14) . 2
C47 O22 Ba4 116.8(3) . .
C47 O22 Ba6 93.9(3) . 2
Ba4 O22 Ba6 98.87(13) . 2
C48 O23 Ba6 111.7(4) . .
C48 O24 Ba3 140.8(4) . 1_455
C48 O24 Ba1 111.4(4) . 1_455
Ba3 O24 Ba1 105.89(13) 1_455 1_455
Ba1 O1W H1WB 98.8 . .
Ba1 O1W H1WA 108.8 . .
H1WB O1W H1WA 124.1 . .
Ba2 O2W Ba3 103.20(18) . 2_645
Ba2 O2W H2WA 111.1 . .
Ba3 O2W H2WA 111.1 2_645 .
Ba2 O2W H2WB 111.1 . .
Ba3 O2W H2WB 111.1 2_645 .
H2WA O2W H2WB 109.2 . .
Ba2 O3W H3WA 109.3 . .
Ba2 O3W H3WB 109.4 . .
H3WA O3W H3WB 109.5 . .
Ba3 O4W H4WA 109.2 . .
Ba3 O4W H4WB 109.3 . .
H4WA O4W H4WB 109.5 . .
Ba3 O5W H5WA 109.4 . .
Ba3 O5W H5WB 109.1 . .
H5WA O5W H5WB 109.5 . .
Ba3 O6W Ba4 100.51(15) . 1_655
Ba3 O6W H6WA 111.7 . .
Ba4 O6W H6WA 111.7 1_655 .
Ba3 O6W H6WB 111.6 . .
Ba4 O6W H6WB 111.6 1_655 .
H6WA O6W H6WB 109.5 . .
Ba5 O7W Ba4 96.77(13) . 2_545
Ba5 O7W H7WA 112.4 . .
Ba4 O7W H7WA 112.4 2_545 .
Ba5 O7W H7WB 112.4 . .
Ba4 O7W H7WB 112.4 2_545 .
H7WA O7W H7WB 110.1 . .
Ba5 O8W H8WB 109.4 . .
Ba5 O8W H8WA 109.3 . .
H8WB O8W H8WA 109.4 . .
Ba5 O9W Ba6 109.37(14) . 2
Ba5 O9W H9WB 109.6 . .
Ba6 O9W H9WB 82.3 2 .
Ba5 O9W H9WC 109.0 . .
Ba6 O9W H9WC 132.6 2 .
H9WB O9W H9WC 109.5 . .
Ba5 O10W H10A 109.5 . .
Ba5 O10W H10B 96.8 . .
H10A O10W H10B 151.0 . .
Ba6 O11W H11A 109.4 . .
Ba6 O11W H11B 109.4 . .
H11A O11W H11B 109.5 . .
H12A O12W H12B 109.5 . .
H13A O13W H13B 109.4 . .
H14A O14W H14B 109.4 . .
H15B O15W H15A 109.4 . .
H16B O16W H16A 109.5 . .
H17A O17W H17B 97.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba3 O14 2.668(5) .
Ba3 O24 2.746(4) 1_655
Ba3 O10 2.766(5) .
Ba3 O6W 2.824(5) .
Ba3 O17 2.896(4) 1_655
Ba3 O15 2.909(4) 2_655
Ba3 O5W 2.922(8) .
Ba3 O4W 2.977(5) .
Ba3 O2W 3.056(6) 2_655
Ba3 O18 3.221(6) 1_655
Ba3 C45 3.329(7) 1_655
Ba3 Ba1 4.4974(7) .
Ba4 O4 2.672(4) 4_475
Ba4 O17 2.685(4) .
Ba4 O8 2.712(4) 4_475
Ba4 O22 2.840(4) .
Ba4 O16 2.933(4) 2
Ba4 O20 2.967(4) 2
Ba4 O19 2.970(4) 2
Ba4 O7W 2.970(5) 2
Ba4 O6W 3.128(5) 1_455
Ba4 C46 3.347(5) 2
Ba4 Ba6 4.3208(6) 2
Ba4 Ba5 4.4020(6) 2
Ba1 O6 2.662(4) .
Ba1 O12 2.732(4) 2_645
Ba1 O13 2.756(5) 2_645
Ba1 O1 2.802(4) .
Ba1 O10 2.807(4) .
Ba1 O24 2.889(4) 1_655
Ba1 O1W 3.047(5) .
Ba2 O9 2.650(4) .
Ba2 O7 2.757(4) 3_666
Ba2 O2 2.798(4) .
Ba2 O13 2.812(4) 2_645
Ba2 O2W 2.843(5) .
Ba2 O3W 2.890(5) .
Ba2 O15 2.914(4) .
Ba2 O1 2.971(4) .
Ba2 C16 3.418(6) 3_666
Ba2 Ba3 4.6249(6) 2_645
Ba5 O21 2.663(4) .
Ba5 O16 2.733(4) .
Ba5 O9W 2.766(4) .
Ba5 O11 2.766(5) .
Ba5 O19 2.779(4) .
Ba5 O8W 2.838(6) .
Ba5 O10W 2.860(6) .
Ba5 O12 2.879(4) .
Ba5 O7W 2.917(4) .
Ba5 Ba4 4.4020(6) 2_545
Ba5 Ba6 4.6236(6) 2
Ba6 O20 2.750(4) .
Ba6 O23 2.771(4) .
Ba6 O5 2.785(4) 1_455
Ba6 O11W 2.798(4) .
Ba6 O22 2.848(4) 2_545
Ba6 O4 2.850(4) 3_666
Ba6 O3 2.862(4) 3_666
Ba6 O21 2.912(4) 2_545
Ba6 O9W 2.899(4) 2_545
Ba6 C47 3.188(6) 2_545
Ba6 C14 3.239(5) 3_666
Ba6 Ba4 4.3208(6) 2_545
C1 C2 1.397(8) .
C1 C6 1.407(7) .
C1 C7 1.498(8) .
C2 C3 1.372(8) .
C2 C13 1.515(8) .
C3 C4 1.386(9) .
C3 H3 0.9300 .
C4 C5 1.371(9) .
C4 H4 0.9300 .
C5 C6 1.366(9) .
C5 H5 0.9300 .
C6 C14 1.521(6) .
C7 C8 1.398(7) .
C7 C12 1.405(7) .
C8 C9 1.377(8) .
C8 C15 1.487(8) .
C9 C10 1.382(9) .
C9 H9 0.9300 .
C10 C11 1.362(8) .
C10 H10 0.9300 .
C11 C12 1.383(8) .
C11 H11 0.9300 .
C12 C16 1.506(8) .
C13 O2 1.254(7) .
C13 O1 1.261(7) .
C14 O4 1.247(7) .
C14 O3 1.250(7) .
C14 Ba6 3.239(5) 3_666
C15 O5 1.260(7) .
C15 O6 1.276(7) .
C16 O7 1.235(7) .
C16 O8 1.274(7) .
C16 Ba2 3.418(6) 3_666
C17 C18 1.405(8) .
C17 C22 1.418(8) .
C17 C23 1.490(8) .
C18 C19 1.395(8) .
C18 C29 1.512(8) .
C19 C20 1.377(9) .
C19 H19 0.9300 .
C20 C21 1.387(9) .
C20 H20 0.9300 .
C21 C22 1.381(8) .
C21 H21 0.9300 .
C22 C30 1.503(8) .
C23 C24 1.393(8) .
C23 C28 1.397(8) .
C24 C25 1.398(8) .
C24 C31 1.504(8) .
C25 C26 1.364(9) .
C25 H25 0.9300 .
C26 C27 1.366(9) .
C26 H26 0.9300 .
C27 C28 1.408(8) .
C27 H27 0.9300 .
C28 C32 1.506(8) .
C29 O9 1.248(7) .
C29 O10 1.266(7) .
C30 O12 1.249(7) .
C30 O11 1.249(7) .
C31 O14 1.236(7) .
C31 O13 1.246(7) .
C32 O15 1.234(7) .
C32 O16 1.284(7) .
C33 C34 1.418(8) .
C33 C38 1.419(8) .
C33 C39 1.481(8) .
C34 C35 1.393(8) .
C34 C45 1.509(9) .
C35 C36 1.386(9) .
C35 H35 0.9300 .
C36 C37 1.396(8) .
C36 H36 0.9300 .
C37 C38 1.372(8) .
C37 H37 0.9300 .
C38 C46 1.524(6) .
C39 C44 1.384(8) .
C39 C40 1.411(8) .
C40 C41 1.390(8) .
C40 C47 1.510(8) .
C41 C42 1.376(8) .
C41 H41 0.9300 .
C42 C43 1.378(8) .
C42 H42 0.9300 .
C43 C44 1.409(8) .
C43 H43 0.9300 .
C44 C48 1.523(6) .
C45 O17 1.241(7) .
C45 O18 1.256(8) .
C45 Ba3 3.329(7) 1_455
C46 O20 1.244(6) .
C46 O19 1.264(7) .
C46 Ba4 3.347(5) 2_545
C47 O21 1.250(7) .
C47 O22 1.253(7) .
C47 Ba6 3.188(6) 2
C48 O23 1.242(7) .
C48 O24 1.265(7) .
O3 Ba6 2.862(4) 3_666
O4 Ba4 2.672(4) 4_676
O4 Ba6 2.850(4) 3_666
O5 Ba6 2.785(4) 1_655
O7 Ba2 2.757(4) 3_666
O8 Ba4 2.712(4) 4_676
O12 Ba1 2.732(4) 2_655
O13 Ba1 2.756(5) 2_655
O13 Ba2 2.812(4) 2_655
O15 Ba3 2.909(4) 2_645
O16 Ba4 2.933(4) 2_545
O17 Ba3 2.896(4) 1_455
O18 Ba3 3.221(6) 1_455
O19 Ba4 2.970(4) 2_545
O20 Ba4 2.967(4) 2_545
O21 Ba6 2.912(4) 2
O22 Ba6 2.848(4) 2
O24 Ba3 2.746(4) 1_455
O24 Ba1 2.889(4) 1_455
O1W H1WB 0.7201 .
O1W H1WA 0.9601 .
O2W Ba3 3.056(6) 2_645
O2W H2WA 0.8497 .
O2W H2WB 0.8499 .
O3W H3WA 0.8496 .
O3W H3WB 0.8504 .
O4W H4WA 0.8498 .
O4W H4WB 0.8499 .
O5W H5WA 0.8500 .
O5W H5WB 0.8498 .
O6W Ba4 3.128(5) 1_655
O6W H6WA 0.8499 .
O6W H6WB 0.8501 .
O7W Ba4 2.970(5) 2_545
O7W H7WA 0.7200 .
O7W H7WB 0.8499 .
O8W H8WB 0.8508 .
O8W H8WA 0.8499 .
O9W Ba6 2.899(4) 2
O9W H9WB 0.8501 .
O9W H9WC 0.8499 .
O10W H10A 0.9500 .
O10W H10B 0.8499 .
O11W H11A 0.8503 .
O11W H11B 0.8497 .
O12W H12A 0.8495 .
O12W H12B 0.7201 .
O13W H13A 0.8501 .
O13W H13B 0.8502 .
O14W H14A 0.8503 .
O14W H14B 0.8498 .
O15W H15B 0.8503 .
O15W H15A 0.7201 .
O16W H16B 0.8500 .
O16W H16A 0.8501 .
O17W H17A 0.8428 .
O17W H17B 0.8507 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WB O10W 0.72 2.13 2.806(8) 155.8 2_645
O1W H1WA O18 0.96 1.89 2.854(8) 179.8 1_655
O2W H2WA O18 0.85 2.34 2.756(7) 110.2 2_545
O3W H3WA O7 0.85 2.38 2.832(6) 113.9 .
O3W H3WB O2 0.85 2.22 2.974(6) 147.7 3_666
O4W H4WB O9 0.85 1.95 2.747(7) 154.6 .
O5W H5WB O16W 0.85 2.35 2.793(10) 112.8 2_655
O8W H8WB O17W 0.85 2.08 2.866(10) 153.5 .
O8W H8WA O14W 0.85 2.29 2.772(8) 115.8 1_455
O9W H9WB O6 0.85 1.82 2.634(6) 159.5 2_655
O9W H9WC O8W 0.85 2.61 2.920(8) 102.8 .
O10W H10A O23 0.95 1.94 2.804(7) 149.8 2
O10W H10B O7W 0.85 2.41 2.908(8) 118.3 .
O11W H11A O3 0.85 1.98 2.767(6) 154.2 1_455
O11W H11B O5 0.85 1.84 2.665(6) 164.3 3_666
O12W H12A O1W 0.85 2.08 2.932(10) 179.1 .
O12W H12B O15W 0.72 2.26 2.896(13) 147.3 4_565
O13W H13A O12W 0.85 2.05 2.623(14) 124.0 .
O13W H13B O15W 0.85 2.20 2.883(18) 137.8 2_655
O14W H14B O11W 0.85 1.94 2.733(7) 155.9 2_655
O15W H15B O2 0.85 2.25 2.908(11) 134.9 .
O16W H16B O11 0.85 1.81 2.660(8) 179.1 .
O17W H17A O14W 0.84 2.01 2.856(9) 179.4 3_665
O17W H17B O16W 0.85 1.90 2.675(11) 151.7 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O14 Ba3 Ba1 O6 -128.21(16) . .
O24 Ba3 Ba1 O6 46.23(19) 1_655 .
O10 Ba3 Ba1 O6 -169.20(17) . .
O6W Ba3 Ba1 O6 20.07(16) . .
O17 Ba3 Ba1 O6 87.34(12) 1_655 .
O15 Ba3 Ba1 O6 -128.2(4) 2_655 .
O5W Ba3 Ba1 O6 -64.52(18) . .
O4W Ba3 Ba1 O6 -68.56(16) . .
O2W Ba3 Ba1 O6 164.68(14) 2_655 .
O18 Ba3 Ba1 O6 120.40(12) 1_655 .
C45 Ba3 Ba1 O6 99.60(14) 1_655 .
O14 Ba3 Ba1 O12 160.4(3) . 2_645
O24 Ba3 Ba1 O12 -25.2(4) 1_655 2_645
O10 Ba3 Ba1 O12 119.4(4) . 2_645
O6W Ba3 Ba1 O12 -51.3(3) . 2_645
O17 Ba3 Ba1 O12 16.0(3) 1_655 2_645
O15 Ba3 Ba1 O12 160.4(5) 2_655 2_645
O5W Ba3 Ba1 O12 -135.9(4) . 2_645
O4W Ba3 Ba1 O12 -140.0(3) . 2_645
O2W Ba3 Ba1 O12 93.3(3) 2_655 2_645
O18 Ba3 Ba1 O12 49.0(3) 1_655 2_645
C45 Ba3 Ba1 O12 28.2(3) 1_655 2_645
O14 Ba3 Ba1 O13 16.59(17) . 2_645
O24 Ba3 Ba1 O13 -169.0(2) 1_655 2_645
O10 Ba3 Ba1 O13 -24.40(18) . 2_645
O6W Ba3 Ba1 O13 164.87(17) . 2_645
O17 Ba3 Ba1 O13 -127.86(14) 1_655 2_645
O15 Ba3 Ba1 O13 16.6(4) 2_655 2_645
O5W Ba3 Ba1 O13 80.28(19) . 2_645
O4W Ba3 Ba1 O13 76.24(17) . 2_645
O2W Ba3 Ba1 O13 -50.52(15) 2_655 2_645
O18 Ba3 Ba1 O13 -94.80(14) 1_655 2_645
C45 Ba3 Ba1 O13 -115.60(15) 1_655 2_645
O14 Ba3 Ba1 O1 -53.94(15) . .
O24 Ba3 Ba1 O1 120.50(19) 1_655 .
O10 Ba3 Ba1 O1 -94.94(17) . .
O6W Ba3 Ba1 O1 94.33(15) . .
O17 Ba3 Ba1 O1 161.61(12) 1_655 .
O15 Ba3 Ba1 O1 -53.9(4) 2_655 .
O5W Ba3 Ba1 O1 9.75(18) . .
O4W Ba3 Ba1 O1 5.70(16) . .
O2W Ba3 Ba1 O1 -121.05(13) 2_655 .
O18 Ba3 Ba1 O1 -165.34(12) 1_655 .
C45 Ba3 Ba1 O1 173.86(13) 1_655 .
O14 Ba3 Ba1 O10 41.0(2) . .
O24 Ba3 Ba1 O10 -144.6(2) 1_655 .
O6W Ba3 Ba1 O10 -170.73(19) . .
O17 Ba3 Ba1 O10 -103.45(17) 1_655 .
O15 Ba3 Ba1 O10 41.0(4) 2_655 .
O5W Ba3 Ba1 O10 104.7(2) . .
O4W Ba3 Ba1 O10 100.6(2) . .
O2W Ba3 Ba1 O10 -26.12(18) 2_655 .
O18 Ba3 Ba1 O10 -70.40(17) 1_655 .
C45 Ba3 Ba1 O10 -91.20(18) 1_655 .
O14 Ba3 Ba1 O24 -174.4(2) . 1_655
O10 Ba3 Ba1 O24 144.6(2) . 1_655
O6W Ba3 Ba1 O24 -26.2(2) . 1_655
O17 Ba3 Ba1 O24 41.11(18) 1_655 1_655
O15 Ba3 Ba1 O24 -174.4(4) 2_655 1_655
O5W Ba3 Ba1 O24 -110.7(2) . 1_655
O4W Ba3 Ba1 O24 -114.8(2) . 1_655
O2W Ba3 Ba1 O24 118.5(2) 2_655 1_655
O18 Ba3 Ba1 O24 74.17(19) 1_655 1_655
C45 Ba3 Ba1 O24 53.4(2) 1_655 1_655
O14 Ba3 Ba1 O1W 106.04(17) . .
O24 Ba3 Ba1 O1W -79.52(19) 1_655 .
O10 Ba3 Ba1 O1W 65.05(18) . .
O6W Ba3 Ba1 O1W -105.68(16) . .
O17 Ba3 Ba1 O1W -38.40(13) 1_655 .
O15 Ba3 Ba1 O1W 106.1(4) 2_655 .
O5W Ba3 Ba1 O1W 169.74(19) . .
O4W Ba3 Ba1 O1W 165.69(17) . .
O2W Ba3 Ba1 O1W 38.94(15) 2_655 .
O18 Ba3 Ba1 O1W -5.35(13) 1_655 .
C45 Ba3 Ba1 O1W -26.15(15) 1_655 .
C6 C1 C2 C3 3.5(8) . .
C7 C1 C2 C3 -175.1(5) . .
C6 C1 C2 C13 -169.6(5) . .
C7 C1 C2 C13 11.9(8) . .
C1 C2 C3 C4 -4.7(9) . .
C13 C2 C3 C4 169.0(6) . .
C2 C3 C4 C5 0.8(10) . .
C3 C4 C5 C6 4.4(11) . .
C4 C5 C6 C1 -5.6(10) . .
C4 C5 C6 C14 174.3(6) . .
C2 C1 C6 C5 1.6(8) . .
C7 C1 C6 C5 -179.7(5) . .
C2 C1 C6 C14 -178.3(5) . .
C7 C1 C6 C14 0.4(8) . .
C2 C1 C7 C8 -115.4(6) . .
C6 C1 C7 C8 66.0(7) . .
C2 C1 C7 C12 72.5(7) . .
C6 C1 C7 C12 -106.1(6) . .
C12 C7 C8 C9 1.8(8) . .
C1 C7 C8 C9 -170.5(5) . .
C12 C7 C8 C15 -178.8(5) . .
C1 C7 C8 C15 8.9(8) . .
C7 C8 C9 C10 -2.3(9) . .
C15 C8 C9 C10 178.3(5) . .
C8 C9 C10 C11 1.1(10) . .
C9 C10 C11 C12 0.5(10) . .
C10 C11 C12 C7 -0.9(9) . .
C10 C11 C12 C16 177.0(6) . .
C8 C7 C12 C11 -0.2(8) . .
C1 C7 C12 C11 172.2(5) . .
C8 C7 C12 C16 -178.1(5) . .
C1 C7 C12 C16 -5.7(8) . .
C3 C2 C13 O2 38.9(8) . .
C1 C2 C13 O2 -147.7(6) . .
C3 C2 C13 O1 -138.4(6) . .
C1 C2 C13 O1 35.0(8) . .
C5 C6 C14 O4 -129.3(6) . .
C1 C6 C14 O4 50.6(8) . .
C5 C6 C14 O3 47.1(8) . .
C1 C6 C14 O3 -133.0(6) . .
C9 C8 C15 O5 42.8(8) . .
C7 C8 C15 O5 -136.7(5) . .
C9 C8 C15 O6 -137.4(6) . .
C7 C8 C15 O6 43.1(7) . .
C11 C12 C16 O7 92.5(7) . .
C7 C12 C16 O7 -89.5(7) . .
C11 C12 C16 O8 -84.2(7) . .
C7 C12 C16 O8 93.7(7) . .
C11 C12 C16 Ba2 42.4(12) . 3_666
C7 C12 C16 Ba2 -139.6(8) . 3_666
C22 C17 C18 C19 -0.7(9) . .
C23 C17 C18 C19 -177.9(6) . .
C22 C17 C18 C29 178.8(6) . .
C23 C17 C18 C29 1.5(9) . .
C17 C18 C19 C20 -1.2(10) . .
C29 C18 C19 C20 179.3(6) . .
C18 C19 C20 C21 1.3(11) . .
C19 C20 C21 C22 0.6(11) . .
C20 C21 C22 C17 -2.6(10) . .
C20 C21 C22 C30 178.4(6) . .
C18 C17 C22 C21 2.6(9) . .
C23 C17 C22 C21 179.8(6) . .
C18 C17 C22 C30 -178.5(5) . .
C23 C17 C22 C30 -1.3(9) . .
C18 C17 C23 C24 69.2(7) . .
C22 C17 C23 C24 -107.9(6) . .
C18 C17 C23 C28 -110.9(6) . .
C22 C17 C23 C28 71.9(7) . .
C28 C23 C24 C25 3.9(8) . .
C17 C23 C24 C25 -176.3(5) . .
C28 C23 C24 C31 -175.6(5) . .
C17 C23 C24 C31 4.3(8) . .
C23 C24 C25 C26 -3.9(9) . .
C31 C24 C25 C26 175.6(6) . .
C24 C25 C26 C27 0.2(10) . .
C25 C26 C27 C28 3.5(10) . .
C24 C23 C28 C27 -0.2(8) . .
C17 C23 C28 C27 179.9(5) . .
C24 C23 C28 C32 -179.6(5) . .
C17 C23 C28 C32 0.5(8) . .
C26 C27 C28 C23 -3.5(8) . .
C26 C27 C28 C32 175.9(6) . .
C19 C18 C29 O9 -149.1(6) . .
C17 C18 C29 O9 31.5(9) . .
C19 C18 C29 O10 29.7(8) . .
C17 C18 C29 O10 -149.8(6) . .
C21 C22 C30 O12 -139.4(6) . .
C17 C22 C30 O12 41.6(9) . .
C21 C22 C30 O11 42.9(9) . .
C17 C22 C30 O11 -136.1(6) . .
C23 C24 C31 O14 -102.8(7) . .
C25 C24 C31 O14 77.7(8) . .
C23 C24 C31 O13 78.1(7) . .
C25 C24 C31 O13 -101.4(7) . .
C23 C28 C32 O15 68.0(7) . .
C27 C28 C32 O15 -111.4(6) . .
C23 C28 C32 O16 -114.0(6) . .
C27 C28 C32 O16 66.5(7) . .
C38 C33 C34 C35 -1.3(9) . .
C39 C33 C34 C35 176.2(5) . .
C38 C33 C34 C45 179.8(5) . .
C39 C33 C34 C45 -2.7(9) . .
C33 C34 C35 C36 -2.6(9) . .
C45 C34 C35 C36 176.3(6) . .
C34 C35 C36 C37 3.7(10) . .
C35 C36 C37 C38 -0.7(10) . .
C36 C37 C38 C33 -3.2(9) . .
C36 C37 C38 C46 173.2(6) . .
C34 C33 C38 C37 4.2(8) . .
C39 C33 C38 C37 -173.4(5) . .
C34 C33 C38 C46 -172.0(5) . .
C39 C33 C38 C46 10.3(8) . .
C34 C33 C39 C44 71.2(8) . .
C38 C33 C39 C44 -111.2(6) . .
C34 C33 C39 C40 -111.8(6) . .
C38 C33 C39 C40 65.8(7) . .
C44 C39 C40 C41 6.8(8) . .
C33 C39 C40 C41 -170.3(5) . .
C44 C39 C40 C47 -167.7(5) . .
C33 C39 C40 C47 15.1(8) . .
C39 C40 C41 C42 -4.7(9) . .
C47 C40 C41 C42 170.0(5) . .
C40 C41 C42 C43 -0.5(9) . .
C41 C42 C43 C44 3.4(9) . .
C40 C39 C44 C43 -3.9(8) . .
C33 C39 C44 C43 173.1(5) . .
C40 C39 C44 C48 178.6(5) . .
C33 C39 C44 C48 -4.4(8) . .
C42 C43 C44 C39 -1.2(9) . .
C42 C43 C44 C48 176.3(6) . .
C35 C34 C45 O17 -142.0(6) . .
C33 C34 C45 O17 36.9(9) . .
C35 C34 C45 O18 37.8(8) . .
C33 C34 C45 O18 -143.2(6) . .
C35 C34 C45 Ba3 139.7(7) . 1_455
C33 C34 C45 Ba3 -41.3(11) . 1_455
C37 C38 C46 O20 -132.2(6) . .
C33 C38 C46 O20 44.2(8) . .
C37 C38 C46 O19 44.2(8) . .
C33 C38 C46 O19 -139.4(6) . .
C37 C38 C46 Ba4 -40(2) . 2_545
C33 C38 C46 Ba4 136.2(15) . 2_545
C41 C40 C47 O21 55.8(7) . .
C39 C40 C47 O21 -129.5(6) . .
C41 C40 C47 O22 -119.1(6) . .
C39 C40 C47 O22 55.6(8) . .
C41 C40 C47 Ba6 -35.8(10) . 2
C39 C40 C47 Ba6 138.9(7) . 2
C39 C44 C48 O23 70.6(7) . .
C43 C44 C48 O23 -107.0(6) . .
C39 C44 C48 O24 -110.5(6) . .
C43 C44 C48 O24 72.0(7) . .
O2 C13 O1 Ba1 -110.9(6) . .
C2 C13 O1 Ba1 66.2(7) . .
O2 C13 O1 Ba2 -0.8(6) . .
C2 C13 O1 Ba2 176.3(5) . .
O6 Ba1 O1 C13 -69.7(5) . .
O12 Ba1 O1 C13 4.6(5) 2_645 .
O13 Ba1 O1 C13 79.0(5) 2_645 .
O10 Ba1 O1 C13 157.7(5) . .
O24 Ba1 O1 C13 -132.4(5) 1_655 .
O1W Ba1 O1 C13 127.2(5) . .
Ba3 Ba1 O1 C13 -166.0(5) . .
O6 Ba1 O1 Ba2 -174.90(17) . .
O12 Ba1 O1 Ba2 -100.61(14) 2_645 .
O13 Ba1 O1 Ba2 -26.26(14) 2_645 .
O10 Ba1 O1 Ba2 52.47(15) . .
O24 Ba1 O1 Ba2 122.43(13) 1_655 .
O1W Ba1 O1 Ba2 22.0(4) . .
Ba3 Ba1 O1 Ba2 88.78(11) . .
O9 Ba2 O1 C13 177.9(4) . .
O7 Ba2 O1 C13 42.2(4) 3_666 .
O2 Ba2 O1 C13 0.4(3) . .
O13 Ba2 O1 C13 -109.3(4) 2_645 .
O2W Ba2 O1 C13 -46.1(4) . .
O3W Ba2 O1 C13 88.8(4) . .
O15 Ba2 O1 C13 -147.0(3) . .
C16 Ba2 O1 C13 38.6(4) 3_666 .
Ba3 Ba2 O1 C13 -88.2(3) 2_645 .
O9 Ba2 O1 Ba1 -46.42(14) . .
O7 Ba2 O1 Ba1 177.91(15) 3_666 .
O2 Ba2 O1 Ba1 136.1(2) . .
O13 Ba2 O1 Ba1 26.33(15) 2_645 .
O2W Ba2 O1 Ba1 89.61(17) . .
O3W Ba2 O1 Ba1 -135.51(18) . .
O15 Ba2 O1 Ba1 -11.4(3) . .
C16 Ba2 O1 Ba1 174.25(14) 3_666 .
Ba3 Ba2 O1 Ba1 47.48(18) 2_645 .
O1 C13 O2 Ba2 0.9(7) . .
C2 C13 O2 Ba2 -176.3(4) . .
O9 Ba2 O2 C13 -3.0(4) . .
O7 Ba2 O2 C13 -141.2(4) 3_666 .
O13 Ba2 O2 C13 59.1(4) 2_645 .
O2W Ba2 O2 C13 137.4(4) . .
O3W Ba2 O2 C13 -74.2(4) . .
O15 Ba2 O2 C13 134.9(4) . .
O1 Ba2 O2 C13 -0.4(3) . .
C16 Ba2 O2 C13 -152.9(4) 3_666 .
Ba3 Ba2 O2 C13 125.7(4) 2_645 .
O4 C14 O3 Ba6 -1.0(6) . 3_666
C6 C14 O3 Ba6 -177.2(4) . 3_666
O3 C14 O4 Ba4 -119.1(6) . 4_676
C6 C14 O4 Ba4 57.2(8) . 4_676
Ba6 C14 O4 Ba4 -120.0(5) 3_666 4_676
O3 C14 O4 Ba6 1.0(6) . 3_666
C6 C14 O4 Ba6 177.2(4) . 3_666
O6 C15 O5 Ba6 4.5(8) . 1_655
C8 C15 O5 Ba6 -175.7(3) . 1_655
O5 C15 O6 Ba1 -110.1(6) . .
C8 C15 O6 Ba1 70.1(6) . .
O12 Ba1 O6 C15 172.2(5) 2_645 .
O13 Ba1 O6 C15 -127.9(4) 2_645 .
O1 Ba1 O6 C15 -87.5(4) . .
O10 Ba1 O6 C15 -0.2(5) . .
O24 Ba1 O6 C15 34.7(4) 1_655 .
O1W Ba1 O6 C15 85.0(5) . .
Ba3 Ba1 O6 C15 8.4(4) . .
O8 C16 O7 Ba2 20.4(8) . 3_666
C12 C16 O7 Ba2 -156.2(4) . 3_666
O7 C16 O8 Ba4 179.6(5) . 4_676
C12 C16 O8 Ba4 -3.8(8) . 4_676
Ba2 C16 O8 Ba4 -164.9(5) 3_666 4_676
O10 C29 O9 Ba2 -117.4(7) . .
C18 C29 O9 Ba2 61.2(9) . .
O7 Ba2 O9 C29 -145.4(6) 3_666 .
O2 Ba2 O9 C29 115.6(6) . .
O13 Ba2 O9 C29 41.9(6) 2_645 .
O2W Ba2 O9 C29 10.1(7) . .
O3W Ba2 O9 C29 -178.4(7) . .
O15 Ba2 O9 C29 -48.6(6) . .
O1 Ba2 O9 C29 113.6(7) . .
C16 Ba2 O9 C29 -115.2(6) 3_666 .
Ba3 Ba2 O9 C29 -19.0(7) 2_645 .
O9 C29 O10 Ba3 -79.3(7) . .
C18 C29 O10 Ba3 102.1(5) . .
O9 C29 O10 Ba1 42.7(7) . .
C18 C29 O10 Ba1 -135.9(4) . .
O14 Ba3 O10 C29 -16.3(4) . .
O24 Ba3 O10 C29 143.1(5) 1_655 .
O6W Ba3 O10 C29 141.0(5) . .
O17 Ba3 O10 C29 -153.4(4) 1_655 .
O15 Ba3 O10 C29 -47.3(5) 2_655 .
O5W Ba3 O10 C29 32.0(5) . .
O4W Ba3 O10 C29 65.6(4) . .
O2W Ba3 O10 C29 -86.4(4) 2_655 .
O18 Ba3 O10 C29 -142.6(5) 1_655 .
C45 Ba3 O10 C29 -154.2(4) 1_655 .
Ba1 Ba3 O10 C29 120.8(5) . .
O14 Ba3 O10 Ba1 -137.07(19) . .
O24 Ba3 O10 Ba1 22.32(14) 1_655 .
O6W Ba3 O10 Ba1 20.3(4) . .
O17 Ba3 O10 Ba1 85.83(15) 1_655 .
O15 Ba3 O10 Ba1 -168.14(12) 2_655 .
O5W Ba3 O10 Ba1 -88.8(2) . .
O4W Ba3 O10 Ba1 -55.16(17) . .
O2W Ba3 O10 Ba1 152.84(18) 2_655 .
O18 Ba3 O10 Ba1 96.60(16) 1_655 .
C45 Ba3 O10 Ba1 85.00(15) 1_655 .
O6 Ba1 O10 C29 -115.7(4) . .
O12 Ba1 O10 C29 78.7(5) 2_645 .
O13 Ba1 O10 C29 27.6(4) 2_645 .
O1 Ba1 O10 C29 -39.8(4) . .
O24 Ba1 O10 C29 -152.1(4) 1_655 .
O1W Ba1 O10 C29 128.4(4) . .
Ba3 Ba1 O10 C29 -130.5(4) . .
O6 Ba1 O10 Ba3 14.8(2) . .
O12 Ba1 O10 Ba3 -150.8(2) 2_645 .
O13 Ba1 O10 Ba3 158.07(16) 2_645 .
O1 Ba1 O10 Ba3 90.74(15) . .
O24 Ba1 O10 Ba3 -21.55(14) 1_655 .
O1W Ba1 O10 Ba3 -101.06(17) . .
O12 C30 O11 Ba5 -34.7(6) . .
C22 C30 O11 Ba5 142.9(5) . .
O21 Ba5 O11 C30 106.5(4) . .
O16 Ba5 O11 C30 -74.8(4) . .
O9W Ba5 O11 C30 99.0(4) . .
O19 Ba5 O11 C30 -140.9(4) . .
O8W Ba5 O11 C30 165.5(4) . .
O10W Ba5 O11 C30 15.6(4) . .
O12 Ba5 O11 C30 16.7(3) . .
O7W Ba5 O11 C30 -62.7(5) . .
Ba4 Ba5 O11 C30 -96.2(4) 2_545 .
Ba6 Ba5 O11 C30 94.2(4) 2 .
O11 C30 O12 Ba1 -119.8(7) . 2_655
C22 C30 O12 Ba1 62.6(9) . 2_655
O11 C30 O12 Ba5 33.2(6) . .
C22 C30 O12 Ba5 -144.4(5) . .
O21 Ba5 O12 C30 -152.4(3) . .
O16 Ba5 O12 C30 60.9(3) . .
O9W Ba5 O12 C30 -100.5(4) . .
O11 Ba5 O12 C30 -16.7(3) . .
O19 Ba5 O12 C30 34.5(5) . .
O8W Ba5 O12 C30 -47.0(4) . .
O10W Ba5 O12 C30 162.3(4) . .
O7W Ba5 O12 C30 120.1(3) . .
Ba4 Ba5 O12 C30 71.9(3) 2_545 .
Ba6 Ba5 O12 C30 -129.8(3) 2 .
O21 Ba5 O12 Ba1 10.1(3) . 2_655
O16 Ba5 O12 Ba1 -136.7(2) . 2_655
O9W Ba5 O12 Ba1 61.93(18) . 2_655
O11 Ba5 O12 Ba1 145.8(3) . 2_655
O19 Ba5 O12 Ba1 -163.1(2) . 2_655
O8W Ba5 O12 Ba1 115.5(2) . 2_655
O10W Ba5 O12 Ba1 -35.25(19) . 2_655
O7W Ba5 O12 Ba1 -77.4(2) . 2_655
Ba4 Ba5 O12 Ba1 -125.69(14) 2_545 2_655
Ba6 Ba5 O12 Ba1 32.64(17) 2 2_655
O14 C31 O13 Ba1 -153.2(5) . 2_655
C24 C31 O13 Ba1 25.9(8) . 2_655
O14 C31 O13 Ba2 5.6(9) . 2_655
C24 C31 O13 Ba2 -175.2(4) . 2_655
O13 C31 O14 Ba3 -68.4(18) . .
C24 C31 O14 Ba3 112.5(15) . .
O24 Ba3 O14 C31 -82.6(16) 1_655 .
O10 Ba3 O14 C31 -53.3(16) . .
O6W Ba3 O14 C31 138.2(15) . .
O17 Ba3 O14 C31 41.7(17) 1_655 .
O15 Ba3 O14 C31 102.5(16) 2_655 .
O5W Ba3 O14 C31 178.0(16) . .
O4W Ba3 O14 C31 -119.1(16) . .
O2W Ba3 O14 C31 22.5(15) 2_655 .
O18 Ba3 O14 C31 0.0(16) 1_655 .
C45 Ba3 O14 C31 11.9(17) 1_655 .
Ba1 Ba3 O14 C31 -77.5(16) . .
O16 C32 O15 Ba3 -2.1(9) . 2_645
C28 C32 O15 Ba3 175.7(3) . 2_645
O16 C32 O15 Ba2 -142.6(5) . .
C28 C32 O15 Ba2 35.2(6) . .
O9 Ba2 O15 C32 -78.2(4) . .
O7 Ba2 O15 C32 60.3(4) 3_666 .
O2 Ba2 O15 C32 139.6(4) . .
O13 Ba2 O15 C32 -145.0(4) 2_645 .
O2W Ba2 O15 C32 137.0(4) . .
O3W Ba2 O15 C32 -4.5(4) . .
O1 Ba2 O15 C32 -111.0(4) . .
C16 Ba2 O15 C32 64.7(4) 3_666 .
Ba3 Ba2 O15 C32 152.9(4) 2_645 .
O9 Ba2 O15 Ba3 128.91(15) . 2_645
O7 Ba2 O15 Ba3 -92.60(16) 3_666 2_645
O2 Ba2 O15 Ba3 -13.3(4) . 2_645
O13 Ba2 O15 Ba3 62.13(15) 2_645 2_645
O2W Ba2 O15 Ba3 -15.87(14) . 2_645
O3W Ba2 O15 Ba3 -157.38(12) . 2_645
O1 Ba2 O15 Ba3 96.1(2) . 2_645
C16 Ba2 O15 Ba3 -88.17(15) 3_666 2_645
O15 C32 O16 Ba5 -147.8(4) . .
C28 C32 O16 Ba5 34.3(7) . .
O15 C32 O16 Ba4 64.3(7) . 2_545
C28 C32 O16 Ba4 -113.6(4) . 2_545
O21 Ba5 O16 C32 -120.4(5) . .
O9W Ba5 O16 C32 49.5(6) . .
O11 Ba5 O16 C32 60.8(5) . .
O19 Ba5 O16 C32 -177.6(5) . .
O8W Ba5 O16 C32 119.7(5) . .
O10W Ba5 O16 C32 -57.4(5) . .
O12 Ba5 O16 C32 14.1(5) . .
O7W Ba5 O16 C32 -111.3(5) . .
Ba4 Ba5 O16 C32 -151.2(6) 2_545 .
Ba6 Ba5 O16 C32 -54.9(8) 2 .
O21 Ba5 O16 Ba4 30.7(3) . 2_545
O9W Ba5 O16 Ba4 -159.29(19) . 2_545
O11 Ba5 O16 Ba4 -148.06(16) . 2_545
O19 Ba5 O16 Ba4 -26.47(12) . 2_545
O8W Ba5 O16 Ba4 -89.16(18) . 2_545
O10W Ba5 O16 Ba4 93.74(19) . 2_545
O12 Ba5 O16 Ba4 165.22(15) . 2_545
O7W Ba5 O16 Ba4 39.89(13) . 2_545
Ba6 Ba5 O16 Ba4 96.2(4) 2 2_545
O18 C45 O17 Ba4 -119.0(8) . .
C34 C45 O17 Ba4 60.9(9) . .
Ba3 C45 O17 Ba4 -156.5(8) 1_455 .
O18 C45 O17 Ba3 37.5(7) . 1_455
C34 C45 O17 Ba3 -142.6(5) . 1_455
O4 Ba4 O17 C45 5.4(8) 4_475 .
O8 Ba4 O17 C45 82.2(7) 4_475 .
O22 Ba4 O17 C45 -46.6(7) . .
O16 Ba4 O17 C45 149.3(7) 2 .
O20 Ba4 O17 C45 -82.6(7) 2 .
O19 Ba4 O17 C45 -138.2(7) 2 .
O7W Ba4 O17 C45 122.4(7) 2 .
O6W Ba4 O17 C45 -169.6(8) 1_455 .
C46 Ba4 O17 C45 -111.5(7) 2 .
Ba6 Ba4 O17 C45 -39.8(8) 2 .
Ba5 Ba4 O17 C45 173.7(7) 2 .
O4 Ba4 O17 Ba3 -149.79(13) 4_475 1_455
O8 Ba4 O17 Ba3 -73.02(15) 4_475 1_455
O22 Ba4 O17 Ba3 158.21(16) . 1_455
O16 Ba4 O17 Ba3 -5.91(16) 2 1_455
O20 Ba4 O17 Ba3 122.24(15) 2 1_455
O19 Ba4 O17 Ba3 66.63(18) 2 1_455
O7W Ba4 O17 Ba3 -32.8(5) 2 1_455
O6W Ba4 O17 Ba3 35.18(13) 1_455 1_455
C46 Ba4 O17 Ba3 93.26(19) 2 1_455
Ba6 Ba4 O17 Ba3 165.01(8) 2 1_455
Ba5 Ba4 O17 Ba3 18.53(19) 2 1_455
O17 C45 O18 Ba3 -32.9(6) . 1_455
C34 C45 O18 Ba3 147.2(5) . 1_455
O20 C46 O19 Ba5 -97.4(6) . .
C38 C46 O19 Ba5 86.3(6) . .
Ba4 C46 O19 Ba5 -108.3(4) 2_545 .
O20 C46 O19 Ba4 10.8(6) . 2_545
C38 C46 O19 Ba4 -165.4(4) . 2_545
O21 Ba5 O19 C46 -15.1(4) . .
O16 Ba5 O19 C46 132.5(5) . .
O9W Ba5 O19 C46 -75.2(5) . .
O11 Ba5 O19 C46 -162.6(4) . .
O8W Ba5 O19 C46 -110.2(5) . .
O10W Ba5 O19 C46 41.4(5) . .
O12 Ba5 O19 C46 159.3(4) . .
O7W Ba5 O19 C46 59.8(4) . .
Ba4 Ba5 O19 C46 106.6(5) 2_545 .
Ba6 Ba5 O19 C46 -37.4(5) 2 .
O21 Ba5 O19 Ba4 -121.60(14) . 2_545
O16 Ba5 O19 Ba4 25.93(13) . 2_545
O9W Ba5 O19 Ba4 178.26(12) . 2_545
O11 Ba5 O19 Ba4 90.84(15) . 2_545
O8W Ba5 O19 Ba4 143.29(18) . 2_545
O10W Ba5 O19 Ba4 -65.14(19) . 2_545
O12 Ba5 O19 Ba4 52.7(3) . 2_545
O7W Ba5 O19 Ba4 -46.79(13) . 2_545
Ba6 Ba5 O19 Ba4 -143.92(8) 2 2_545
O19 C46 O20 Ba6 -150.4(9) . .
C38 C46 O20 Ba6 25.8(15) . .
Ba4 C46 O20 Ba6 -139.6(13) 2_545 .
O19 C46 O20 Ba4 -10.9(6) . 2_545
C38 C46 O20 Ba4 165.4(4) . 2_545
O23 Ba6 O20 C46 -22.8(12) . .
O5 Ba6 O20 C46 -74.2(12) 1_455 .
O11W Ba6 O20 C46 155.2(11) . .
O22 Ba6 O20 C46 102.1(12) 2_545 .
O4 Ba6 O20 C46 171.5(12) 3_666 .
O3 Ba6 O20 C46 -146.3(12) 3_666 .
O21 Ba6 O20 C46 55.5(12) 2_545 .
O9W Ba6 O20 C46 29.0(13) 2_545 .
C47 Ba6 O20 C46 77.4(12) 2_545 .
C14 Ba6 O20 C46 -166.8(12) 3_666 .
Ba4 Ba6 O20 C46 139.4(13) 2_545 .
O23 Ba6 O20 Ba4 -162.19(16) . 2_545
O5 Ba6 O20 Ba4 146.43(12) 1_455 2_545
O11W Ba6 O20 Ba4 15.9(3) . 2_545
O22 Ba6 O20 Ba4 -37.33(12) 2_545 2_545
O4 Ba6 O20 Ba4 32.14(12) 3_666 2_545
O3 Ba6 O20 Ba4 74.29(14) 3_666 2_545
O21 Ba6 O20 Ba4 -83.90(14) 2_545 2_545
O9W Ba6 O20 Ba4 -110.42(17) 2_545 2_545
C47 Ba6 O20 Ba4 -62.01(15) 2_545 2_545
C14 Ba6 O20 Ba4 53.82(14) 3_666 2_545
O22 C47 O21 Ba5 -103.8(7) . .
C40 C47 O21 Ba5 81.6(7) . .
Ba6 C47 O21 Ba5 -130.1(6) 2 .
O22 C47 O21 Ba6 26.2(6) . 2
C40 C47 O21 Ba6 -148.4(5) . 2
O16 Ba5 O21 C47 -73.5(7) . .
O9W Ba5 O21 C47 112.1(6) . .
O11 Ba5 O21 C47 104.5(6) . .
O19 Ba5 O21 C47 -17.9(6) . .
O8W Ba5 O21 C47 51.8(6) . .
O10W Ba5 O21 C47 -147.0(7) . .
O12 Ba5 O21 C47 165.2(6) . .
O7W Ba5 O21 C47 -82.4(6) . .
Ba4 Ba5 O21 C47 -53.5(6) 2_545 .
Ba6 Ba5 O21 C47 124.4(7) 2 .
O16 Ba5 O21 Ba6 162.11(14) . 2
O9W Ba5 O21 Ba6 -12.30(14) . 2
O11 Ba5 O21 Ba6 -19.9(3) . 2
O19 Ba5 O21 Ba6 -142.25(17) . 2
O8W Ba5 O21 Ba6 -72.57(19) . 2
O10W Ba5 O21 Ba6 88.6(2) . 2
O12 Ba5 O21 Ba6 40.8(2) . 2
O7W Ba5 O21 Ba6 153.18(19) . 2
Ba4 Ba5 O21 Ba6 -177.85(11) 2_545 2
O21 C47 O22 Ba4 -128.9(5) . .
C40 C47 O22 Ba4 45.7(6) . .
Ba6 C47 O22 Ba4 -102.0(3) 2 .
O21 C47 O22 Ba6 -26.9(6) . 2
C40 C47 O22 Ba6 147.7(4) . 2
O4 Ba4 O22 C47 137.5(4) 4_475 .
O17 Ba4 O22 C47 -90.5(4) . .
O8 Ba4 O22 C47 -155.1(4) 4_475 .
O16 Ba4 O22 C47 -17.5(7) 2 .
O20 Ba4 O22 C47 62.1(4) 2 .
O19 Ba4 O22 C47 32.4(4) 2 .
O7W Ba4 O22 C47 93.3(4) 2 .
O6W Ba4 O22 C47 -37.2(4) 1_455 .
C46 Ba4 O22 C47 45.2(4) 2 .
Ba6 Ba4 O22 C47 99.0(4) 2 .
Ba5 Ba4 O22 C47 42.9(4) 2 .
O4 Ba4 O22 Ba6 38.57(12) 4_475 2
O17 Ba4 O22 Ba6 170.55(14) . 2
O8 Ba4 O22 Ba6 105.90(16) 4_475 2
O16 Ba4 O22 Ba6 -116.5(4) 2 2
O20 Ba4 O22 Ba6 -36.88(11) 2 2
O19 Ba4 O22 Ba6 -66.60(13) 2 2
O7W Ba4 O22 Ba6 -5.62(17) 2 2
O6W Ba4 O22 Ba6 -136.14(12) 1_455 2
C46 Ba4 O22 Ba6 -53.71(13) 2 2
Ba5 Ba4 O22 Ba6 -56.10(15) 2 2
O24 C48 O23 Ba6 -135.0(5) . .
C44 C48 O23 Ba6 43.9(6) . .
O20 Ba6 O23 C48 -86.7(4) . .
O5 Ba6 O23 C48 54.3(4) 1_455 .
O11W Ba6 O23 C48 94.8(4) . .
O22 Ba6 O23 C48 -146.3(4) 2_545 .
O4 Ba6 O23 C48 -63.5(4) 3_666 .
O3 Ba6 O23 C48 -7.3(4) 3_666 .
O21 Ba6 O23 C48 -166.2(4) 2_545 .
O9W Ba6 O23 C48 126.0(4) 2_545 .
C47 Ba6 O23 C48 -152.0(4) 2_545 .
C14 Ba6 O23 C48 -29.8(5) 3_666 .
Ba4 Ba6 O23 C48 -100.3(4) 2_545 .
O23 C48 O24 Ba3 -152.7(5) . 1_455
C44 C48 O24 Ba3 28.5(9) . 1_455
O23 C48 O24 Ba1 8.4(7) . 1_455
C44 C48 O24 Ba1 -170.5(4) . 1_455
O9 Ba2 O2W Ba3 -46.5(3) . 2_645
O7 Ba2 O2W Ba3 117.39(17) 3_666 2_645
O2 Ba2 O2W Ba3 -163.99(18) . 2_645
O13 Ba2 O2W Ba3 -76.11(17) 2_645 2_645
O3W Ba2 O2W Ba3 146.48(16) . 2_645
O15 Ba2 O2W Ba3 14.95(13) . 2_645
O1 Ba2 O2W Ba3 -132.65(14) . 2_645
C16 Ba2 O2W Ba3 99.48(18) 3_666 2_645
O14 Ba3 O6W Ba4 -103.2(2) . 1_655
O24 Ba3 O6W Ba4 103.22(15) 1_655 1_655
O10 Ba3 O6W Ba4 105.2(3) . 1_655
O17 Ba3 O6W Ba4 31.01(12) 1_655 1_655
O15 Ba3 O6W Ba4 -68.30(14) 2_655 1_655
O5W Ba3 O6W Ba4 -138.7(2) . 1_655
O4W Ba3 O6W Ba4 170.95(16) . 1_655
O2W Ba3 O6W Ba4 -17.7(2) 2_655 1_655
O18 Ba3 O6W Ba4 37.13(17) 1_655 1_655
C45 Ba3 O6W Ba4 40.30(15) 1_655 1_655
Ba1 Ba3 O6W Ba4 119.07(10) . 1_655
O21 Ba5 O7W Ba4 135.35(16) . 2_545
O16 Ba5 O7W Ba4 -38.60(12) . 2_545
O9W Ba5 O7W Ba4 157.32(15) . 2_545
O11 Ba5 O7W Ba4 -51.1(3) . 2_545
O19 Ba5 O7W Ba4 46.30(12) . 2_545
O8W Ba5 O7W Ba4 59.2(2) . 2_545
O10W Ba5 O7W Ba4 -151.8(2) . 2_545
O12 Ba5 O7W Ba4 -104.06(14) . 2_545
Ba6 Ba5 O7W Ba4 151.17(8) 2 2_545
O21 Ba5 O9W Ba6 12.14(14) . 2
O16 Ba5 O9W Ba6 -161.17(18) . 2
O11 Ba5 O9W Ba6 -172.39(18) . 2
O19 Ba5 O9W Ba6 77.43(19) . 2
O8W Ba5 O9W Ba6 114.8(2) . 2
O10W Ba5 O9W Ba6 -52.59(19) . 2
O12 Ba5 O9W Ba6 -124.62(17) . 2
O7W Ba5 O9W Ba6 -10.1(3) . 2
Ba4 Ba5 O9W Ba6 81.9(4) 2_545 2
