#------------------------------------------------------------------------------
#$Date: 2020-03-05 02:03:29 +0200 (Thu, 05 Mar 2020) $
#$Revision: 248923 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/33/7703335.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_7703335
loop_
_publ_author_name
'Maurya, Mannar R.'
'Tomar, Reshu'
'Avecilla, Fernando'
'Ribeiro, Nádia'
'Carvalho, M Fernanda N N'
'Kuznetsov, Maxim L.'
'Correia, Isabel'
'Pessoa, João Costa'
_publ_section_title
;
 Trinuclear vanadium(iv) and vanadium(v) complexes derived from
 2,4,6-triacetylphloroglucinol and study of their peroxidase mimicking
 activity.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2589
_journal_page_last               2609
_journal_paper_doi               10.1039/c9dt04415a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C30 H35.24 Cs3.05 N9 O19.28 V3'
_chemical_formula_sum            'C30 H35.24 Cs3.05 N9 O19.29 V3'
_chemical_formula_weight         1388.09
_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
_audit_update_record
;
2020-01-15 deposited with the CCDC.	2020-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                99.587(3)
_cell_angle_beta                 108.169(3)
_cell_angle_gamma                102.462(3)
_cell_formula_units_Z            2
_cell_length_a                   11.9351(7)
_cell_length_b                   12.7326(7)
_cell_length_c                   16.2519(10)
_cell_measurement_reflns_used    84919
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      51.859
_cell_measurement_theta_min      4.792
_cell_volume                     2217.3(2)
_computing_cell_refinement
'SAINT V7.68A (Bruker: Madison, 2009 ) in Apex2 suite'
_computing_data_collection       'Apex2, Bruker Instrument Service v2010, 1-2'
_computing_data_reduction
'SAINT and XPREP Version 2008/2 (Sheldrick, Bruker AXS Inc.)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement
'XL V2015/4 (G. M. Sheldrick, Acta Cryst. (2015). C71, 3--8)'
_computing_structure_solution
'XS V2015/1 (G. M. Sheldrick, Acta Cryst. (2015). C71, 3--8)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  '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  0.0561
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            79928
_diffrn_reflns_theta_full        26.45
_diffrn_reflns_theta_max         26.45
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    3.167
_exptl_absorpt_correction_T_max  0.8838
_exptl_absorpt_correction_T_min  0.6781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.079
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1338
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.175
_refine_diff_density_min         -1.435
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     635
_refine_ls_number_reflns         9083
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0655P)²+3.7211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                7370
_reflns_number_total             9083
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt04415a2.cif
_cod_data_source_block           compound16a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703333--7703335.cif.
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7703335
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_group
Cs1A Cs 0.59344(11) 0.04446(9) 0.75224(9) 0.0216(3) Uani 0.843(14) 1 d PU .
Cs1B Cs 0.565(4) 0.0418(14) 0.720(5) 0.057(9) Uani 0.077(14) 1 d PU .
Cs1C Cs 0.4195(2) -0.0810(2) 0.83599(19) 0.0683(11) Uani 0.203(2) 1 d P .
V1 V -0.16414(7) 0.04201(6) 0.64647(5) 0.01799(19) Uani 1 1 d . .
O1 O -0.1573(3) 0.0337(3) 0.7462(2) 0.0223(7) Uani 1 1 d . .
C1 C 0.0160(4) 0.2587(4) 0.7124(3) 0.0181(9) Uani 1 1 d . .
N1 N 0.0144(3) 0.0357(3) 0.6454(3) 0.0196(8) Uani 1 1 d . .
O1WA O -0.4640(10) -0.5634(8) 0.5062(7) 0.029(3) Uani 0.411(15) 1 d P 1
H1A H -0.4457 -0.5786 0.4600 0.043 Uiso 0.411(15) 1 d PR 1
H1B H -0.5344 -0.6070 0.4959 0.043 Uiso 0.411(15) 1 d PR 1
O1WB O 0.6091(10) 0.4111(6) 0.5453(6) 0.041(3) Uani 0.589(15) 1 d P 2
H1C H 0.6270 0.4344 0.6012 0.062 Uiso 0.589(15) 1 d PR 2
H1D H 0.6758 0.4252 0.5351 0.062 Uiso 0.589(15) 1 d PR 2
Cs2 Cs 0.47231(3) 0.19073(3) 0.52431(2) 0.03163(14) Uani 0.943(2) 1 d P .
V2 V 0.50421(7) 0.31969(6) 0.82156(5) 0.0189(2) Uani 1 1 d . .
O2 O -0.3064(3) 0.0417(3) 0.5896(2) 0.0247(7) Uani 1 1 d . .
C2 C 0.2390(4) 0.3027(4) 0.7814(3) 0.0170(9) Uani 1 1 d . .
N2 N 0.0167(4) -0.0689(3) 0.6005(3) 0.0209(8) Uani 1 1 d . .
O2WA O 0.3755(4) -0.0858(4) 0.5757(3) 0.0445(11) Uani 1 1 d . .
H2WA H 0.3420 -0.0547 0.5362 0.067 Uiso 1 1 d R .
H2WB H 0.3415 -0.0816 0.6144 0.067 Uiso 1 1 d R .
O2WB O 0.4047(11) -0.1597(8) 0.5515(7) 0.011(4) Uani 0.283(17) 1 d PU -1
H2WC H 0.3393 -0.2134 0.5334 0.017 Uiso 0.18(10) 1 d PR -1
H2WD H 0.4529 -0.1670 0.5602 0.017 Uiso 0.06(13) 1 d PR -1
Cs3 Cs 1.03585(3) -0.04651(3) 0.86914(2) 0.02834(13) Uani 0.982(2) 1 d P .
V3 V 0.05188(7) 0.64500(6) 0.76752(6) 0.0203(2) Uani 1 1 d . .
O3 O -0.0919(3) 0.1925(3) 0.6566(2) 0.0202(7) Uani 1 1 d . .
O3W O 1.1997(4) 0.0301(3) 1.0755(3) 0.0372(9) Uani 1 1 d . .
H3WA H 1.2218 -0.0287 1.0677 0.056 Uiso 1 1 d R .
H3WB H 1.2644 0.0848 1.0996 0.056 Uiso 1 1 d R .
N3 N 0.4699(3) 0.4727(3) 0.8691(3) 0.0196(8) Uani 1 1 d . .
C3 C 0.2476(4) 0.4147(4) 0.8154(3) 0.0181(9) Uani 1 1 d . .
O4 O -0.1889(3) -0.1093(3) 0.5801(2) 0.0216(7) Uani 1 1 d . .
O4W O 1.2934(4) -0.1373(4) 1.0177(3) 0.0496(12) Uani 1 1 d . .
H4WA H 1.3415 -0.1760 1.0356 0.074 Uiso 1 1 d R .
H4WB H 1.2573 -0.1622 0.9614 0.074 Uiso 1 1 d R .
N4 N 0.5773(4) 0.5628(3) 0.9175(3) 0.0210(8) Uani 1 1 d . .
C4 C 0.1375(4) 0.4481(4) 0.7947(3) 0.0184(9) Uani 1 1 d . .
O5 O 0.5441(3) 0.2230(3) 0.8690(3) 0.0282(8) Uani 1 1 d . .
O5W O 1.3151(3) 0.0794(3) 0.8978(3) 0.0333(9) Uani 1 1 d . .
H5WA H 1.3437 0.1119 0.9532 0.050 Uiso 1 1 d R .
H5WB H 1.3446 0.1208 0.8691 0.050 Uiso 1 1 d R .
N5 N -0.0940(3) 0.5004(3) 0.7441(3) 0.0196(8) Uani 1 1 d . .
C5 C 0.0225(4) 0.3683(4) 0.7515(3) 0.0176(9) Uani 1 1 d . .
O6 O 0.4994(3) 0.2892(3) 0.7197(2) 0.0343(9) Uani 1 1 d . .
N6 N -0.2094(3) 0.5173(3) 0.7318(3) 0.0221(9) Uani 1 1 d . .
C6 C 0.1238(4) 0.2249(4) 0.7244(3) 0.0185(9) Uani 1 1 d . .
O6W O 0.5896(3) -0.1882(3) 0.9170(2) 0.0324(8) Uani 1 1 d . .
H6WA H 0.5817 -0.2576 0.9071 0.049 Uiso 1 1 d R .
H6WB H 0.6183 -0.1555 0.9724 0.049 Uiso 1 1 d R .
O7 O 0.3347(3) 0.2642(3) 0.8062(2) 0.0192(7) Uani 1 1 d . .
N7 N -0.2288(4) -0.4460(3) 0.4927(3) 0.0302(10) Uani 1 1 d . .
C7 C 0.1175(4) 0.1152(4) 0.6747(3) 0.0172(9) Uani 1 1 d . .
O7W O 0.2154(3) 0.8308(3) 0.6587(2) 0.0270(8) Uani 1 1 d . .
H7WA H 0.1559 0.8587 0.6427 0.040 Uiso 1 1 d R .
H7WB H 0.1949 0.7811 0.6845 0.040 Uiso 1 1 d R .
O8 O 0.6667(3) 0.4273(3) 0.8814(2) 0.0225(7) Uani 1 1 d . .
N8 N -0.4206(4) 0.7930(3) 0.6932(3) 0.0276(10) Uani 1 1 d . .
C8 C 0.2250(4) 0.0965(4) 0.6509(3) 0.0222(10) Uani 1 1 d . .
H8A H 0.2708 0.0625 0.6930 0.033 Uiso 1 1 calc R .
H8B H 0.2771 0.1665 0.6528 0.033 Uiso 1 1 calc R .
H8C H 0.1955 0.0486 0.5917 0.033 Uiso 1 1 calc R .
O9 O 0.1438(3) 0.7608(3) 0.8394(2) 0.0264(8) Uani 1 1 d . .
C9 C -0.0922(4) -0.1380(4) 0.5712(3) 0.0190(9) Uani 1 1 d . .
N9 N 0.9246(4) 0.7866(3) 1.0637(3) 0.0306(10) Uani 1 1 d . .
O10 O 0.0693(3) 0.6417(3) 0.6722(2) 0.0263(8) Uani 1 1 d . .
C10 C -0.1102(4) -0.2537(4) 0.5275(3) 0.0206(10) Uani 1 1 d . .
O11 O 0.1447(3) 0.5528(3) 0.8200(2) 0.0232(7) Uani 1 1 d . .
C11 C -0.0356(4) -0.2858(4) 0.4828(3) 0.0231(10) Uani 1 1 d . .
H11 H 0.0278 -0.2330 0.4780 0.028 Uiso 1 1 calc R .
O12 O -0.0959(3) 0.6978(3) 0.7572(2) 0.0236(7) Uani 1 1 d . .
C12 C -0.0575(5) -0.3969(4) 0.4459(3) 0.0270(11) Uani 1 1 d . .
H12 H -0.0079 -0.4204 0.4169 0.032 Uiso 1 1 calc R .
C13 C -0.1541(5) -0.4736(4) 0.4524(4) 0.0297(12) Uani 1 1 d . .
H13 H -0.1675 -0.5484 0.4272 0.036 Uiso 1 1 calc R .
C14 C -0.2080(5) -0.3376(4) 0.5287(3) 0.0253(11) Uani 1 1 d . .
H14 H -0.2607 -0.3168 0.5559 0.030 Uiso 1 1 calc R .
C15 C 0.3675(4) 0.4949(4) 0.8696(3) 0.0179(9) Uani 1 1 d . .
C16 C 0.3744(4) 0.6026(4) 0.9287(3) 0.0236(10) Uani 1 1 d . .
H16A H 0.4526 0.6293 0.9771 0.035 Uiso 1 1 calc R .
H16B H 0.3097 0.5906 0.9523 0.035 Uiso 1 1 calc R .
H16C H 0.3655 0.6567 0.8942 0.035 Uiso 1 1 calc R .
C17 C 0.6728(4) 0.5285(4) 0.9181(3) 0.0197(10) Uani 1 1 d . .
C18 C 0.7971(4) 0.6089(4) 0.9647(3) 0.0216(10) Uani 1 1 d . .
C19 C 0.9000(4) 0.5828(4) 0.9539(3) 0.0253(11) Uani 1 1 d . .
H19 H 0.8920 0.5144 0.9182 0.030 Uiso 1 1 calc R .
C20 C 1.0144(4) 0.6601(4) 0.9972(4) 0.0276(11) Uani 1 1 d . .
H20 H 1.0845 0.6451 0.9907 0.033 Uiso 1 1 calc R .
C21 C 1.0221(5) 0.7609(4) 1.0510(4) 0.0288(11) Uani 1 1 d . .
H21 H 1.0989 0.8131 1.0794 0.035 Uiso 1 1 calc R .
C22 C 0.8151(4) 0.7109(4) 1.0211(3) 0.0259(11) Uani 1 1 d . .
H22 H 0.7467 0.7274 1.0297 0.031 Uiso 1 1 calc R .
C23 C -0.0912(4) 0.3978(4) 0.7435(3) 0.0202(10) Uani 1 1 d . .
C24 C -0.2029(5) 0.3136(4) 0.7416(4) 0.0258(11) Uani 1 1 d . .
H24A H -0.180(5) 0.249(5) 0.764(4) 0.039 Uiso 1 1 d . .
H24B H -0.246(5) 0.351(5) 0.782(4) 0.028(14) Uiso 1 1 d . .
H24C H -0.252(5) 0.290(4) 0.687(4) 0.021(14) Uiso 1 1 d . .
C25 C -0.1999(4) 0.6217(4) 0.7385(3) 0.0204(10) Uani 1 1 d . .
C26 C -0.3138(4) 0.6554(4) 0.7232(3) 0.0199(10) Uani 1 1 d . .
C27 C -0.3185(4) 0.7602(4) 0.7121(3) 0.0234(10) Uani 1 1 d . .
H27 H -0.2458 0.8111 0.7183 0.028 Uiso 1 1 calc R .
C28 C -0.5242(5) 0.7191(5) 0.6875(4) 0.0309(12) Uani 1 1 d . .
H28 H -0.5967 0.7398 0.6742 0.037 Uiso 1 1 calc R .
C29 C -0.5275(5) 0.6138(5) 0.7007(4) 0.0302(12) Uani 1 1 d . .
H29 H -0.6000 0.5667 0.6990 0.036 Uiso 1 1 calc R .
C30 C -0.4235(5) 0.5799(4) 0.7160(4) 0.0265(11) Uani 1 1 d . .
H30 H -0.4253 0.5081 0.7216 0.032 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
O5 Cs1A O1 126.64(10) . 1_655
O5 Cs1A O2WA 115.46(11) . .
O1 Cs1A O2WA 113.42(10) 1_655 .
O5 Cs1A N8 148.76(12) . 1_645
O1 Cs1A N8 72.30(10) 1_655 1_645
O2WA Cs1A N8 66.28(12) . 1_645
O5 Cs1A O2 133.01(10) . 1_655
O1 Cs1A O2 49.89(9) 1_655 1_655
O2WA Cs1A O2 71.82(10) . 1_655
N8 Cs1A O2 78.12(10) 1_645 1_655
O5 Cs1A O4W 50.43(10) . 2_757
O1 Cs1A O4W 93.02(10) 1_655 2_757
O2WA Cs1A O4W 149.37(12) . 2_757
N8 Cs1A O4W 110.80(12) 1_645 2_757
O2 Cs1A O4W 138.69(11) 1_655 2_757
O5 Cs1A O3W 97.30(10) . 2_757
O1 Cs1A O3W 59.63(9) 1_655 2_757
O2WA Cs1A O3W 134.91(11) . 2_757
N8 Cs1A O3W 69.69(11) 1_645 2_757
O2 Cs1A O3W 108.26(9) 1_655 2_757
O4W Cs1A O3W 46.88(9) 2_757 2_757
O5 Cs1A O2WB 132.9(2) . .
O1 Cs1A O2WB 98.5(2) 1_655 .
O2WA Cs1A O2WB 18.0(2) . .
N8 Cs1A O2WB 49.7(2) 1_645 .
O2 Cs1A O2WB 64.72(18) 1_655 .
O4W Cs1A O2WB 151.38(19) 2_757 .
O3W Cs1A O2WB 119.40(19) 2_757 .
O5 Cs1A O6 46.05(9) . .
O1 Cs1A O6 118.74(9) 1_655 .
O2WA Cs1A O6 87.31(11) . .
N8 Cs1A O6 153.40(11) 1_645 .
O2 Cs1A O6 91.12(9) 1_655 .
O4W Cs1A O6 93.41(9) 2_757 .
O3W Cs1A O6 136.87(9) 2_757 .
O2WB Cs1A O6 103.68(19) . .
O5 Cs1A V1 133.50(8) . 1_655
O1 Cs1A V1 24.28(6) 1_655 1_655
O2WA Cs1A V1 93.97(8) . 1_655
N8 Cs1A V1 74.84(9) 1_645 1_655
O2 Cs1A V1 25.66(6) 1_655 1_655
O4W Cs1A V1 115.18(9) 2_757 1_655
O3W Cs1A V1 83.52(7) 2_757 1_655
O2WB Cs1A V1 82.51(18) . 1_655
O6 Cs1A V1 105.37(7) . 1_655
O5 Cs1A C24 75.88(11) . 1_655
O1 Cs1A C24 64.80(10) 1_655 1_655
O2WA Cs1A C24 115.46(13) . 1_655
N8 Cs1A C24 133.49(12) 1_645 1_655
O2 Cs1A C24 61.03(11) 1_655 1_655
O4W Cs1A C24 89.10(13) 2_757 1_655
O3W Cs1A C24 101.49(11) 2_757 1_655
O2WB Cs1A C24 119.51(19) . 1_655
O6 Cs1A C24 54.48(10) . 1_655
V1 Cs1A C24 58.67(8) 1_655 1_655
O5 Cs1A C28 133.54(11) . 1_645
O1 Cs1A C28 90.22(10) 1_655 1_645
O2WA Cs1A C28 58.64(12) . 1_645
N8 Cs1A C28 18.06(11) 1_645 1_645
O2 Cs1A C28 91.31(10) 1_655 1_645
O4W Cs1A C28 108.53(12) 2_757 1_645
O3W Cs1A C28 76.42(10) 2_757 1_645
O2WB Cs1A C28 45.71(19) . 1_645
O6 Cs1A C28 142.98(10) . 1_645
V1 Cs1A C28 92.09(8) 1_655 1_645
C24 Cs1A C28 150.55(12) 1_655 1_645
O5 Cs1A H2WB 103.6 . .
O1 Cs1A H2WB 128.0 1_655 .
O2WA Cs1A H2WB 15.9 . .
N8 Cs1A H2WB 70.4 1_645 .
O2 Cs1A H2WB 87.6 1_655 .
O4W Cs1A H2WB 133.7 2_757 .
O3W Cs1A H2WB 132.4 2_757 .
O2WB Cs1A H2WB 29.6 . .
O6 Cs1A H2WB 85.1 . .
V1 Cs1A H2WB 109.7 1_655 .
C24 Cs1A H2WB 124.8 1_655 .
C28 Cs1A H2WB 58.1 1_645 .
O5 Cs1A H2WD 142.2 . .
O1 Cs1A H2WD 89.5 1_655 .
O2WA Cs1A H2WD 27.1 . .
N8 Cs1A H2WD 43.0 1_645 .
O2 Cs1A H2WD 59.6 1_655 .
O4W Cs1A H2WD 150.9 2_757 .
O3W Cs1A H2WD 112.3 2_757 .
O2WB Cs1A H2WD 9.4 . .
O6 Cs1A H2WD 110.7 . .
V1 Cs1A H2WD 74.9 1_655 .
C24 Cs1A H2WD 117.9 1_655 .
C28 Cs1A H2WD 42.4 1_645 .
H2WB Cs1A H2WD 38.9 . .
O2WA Cs1B O2 81.9(17) . 1_655
O2WA Cs1B O5 124.5(12) . .
O2 Cs1B O5 136.0(5) 1_655 .
O2WA Cs1B O2WB 19.9(4) . .
O2 Cs1B O2WB 72.2(13) 1_655 .
O5 Cs1B O2WB 142.7(13) . .
O2WA Cs1B N8 70.9(7) . 1_645
O2 Cs1B N8 81.0(5) 1_655 1_645
O5 Cs1B N8 138(2) . 1_645
O2WB Cs1B N8 53.0(5) . 1_645
O2WA Cs1B O1 120.6(11) . 1_655
O2 Cs1B O1 50.0(2) 1_655 1_655
O5 Cs1B O1 115(2) . 1_655
O2WB Cs1B O1 102.4(7) . 1_655
N8 Cs1B O1 69.2(6) 1_645 1_655
O2WA Cs1B O6 99.0(19) . .
O2 Cs1B O6 99.2(11) 1_655 .
O5 Cs1B O6 47.2(2) . .
O2WB Cs1B O6 117(2) . .
N8 Cs1B O6 170(2) 1_645 .
O1 Cs1B O6 118.7(6) 1_655 .
O2WA Cs1B V1 102.2(14) . 1_655
O2 Cs1B V1 24.9(2) 1_655 1_655
O5 Cs1B V1 128.0(13) . 1_655
O2WB Cs1B V1 87.8(9) . 1_655
N8 Cs1B V1 74.6(3) 1_645 1_655
O1 Cs1B V1 25.13(13) 1_655 1_655
O6 Cs1B V1 109.7(5) . 1_655
O2WA Cs1B C24 128(2) . 1_655
O2 Cs1B C24 62.5(3) 1_655 1_655
O5 Cs1B C24 73.9(6) . 1_655
O2WB Cs1B C24 130.3(17) . 1_655
N8 Cs1B C24 131.5(7) 1_645 1_655
O1 Cs1B C24 63.0(5) 1_655 1_655
O6 Cs1B C24 55.7(2) . 1_655
V1 Cs1B C24 58.6(2) 1_655 1_655
O2WA Cs1B C28 61.1(4) . 1_645
O2 Cs1B C28 95.0(6) 1_655 1_645
O5 Cs1B C28 127.9(12) . 1_645
O2WB Cs1B C28 47.2(3) . 1_645
N8 Cs1B C28 18.43(15) 1_645 1_645
O1 Cs1B C28 87.4(5) 1_655 1_645
O6 Cs1B C28 153.7(13) . 1_645
V1 Cs1B C28 92.3(3) 1_655 1_645
C24 Cs1B C28 149.9(7) 1_655 1_645
O2WA Cs1B V2 112.7(14) . .
O2 Cs1B V2 119.4(7) 1_655 .
O5 Cs1B V2 23.33(14) . .
O2WB Cs1B V2 132.6(18) . .
N8 Cs1B V2 159.4(15) 1_645 .
O1 Cs1B V2 120.2(12) 1_655 .
O6 Cs1B V2 23.90(16) . .
V1 Cs1B V2 122.2(4) 1_655 .
C24 Cs1B V2 63.6(3) 1_655 .
C28 Cs1B V2 144.6(5) 1_645 .
O2WA Cs1B Cs2 66.1(15) . .
O2 Cs1B Cs2 60.0(11) 1_655 .
O5 Cs1B Cs2 96.2(7) . .
O2WB Cs1B Cs2 77.0(16) . .
N8 Cs1B Cs2 124.5(19) 1_645 .
O1 Cs1B Cs2 105.0(8) 1_655 .
O6 Cs1B Cs2 49.1(7) . .
V1 Cs1B Cs2 81.8(9) 1_655 .
C24 Cs1B Cs2 63.8(6) 1_655 .
C28 Cs1B Cs2 124.2(18) 1_645 .
V2 Cs1B Cs2 72.9(6) . .
O2WA Cs1B H2WA 13.8 . .
O2 Cs1B H2WA 78.2 1_655 .
O5 Cs1B H2WA 118.5 . .
O2WB Cs1B H2WA 30.9 . .
N8 Cs1B H2WA 83.7 1_645 .
O1 Cs1B H2WA 123.5 1_655 .
O6 Cs1B H2WA 86.5 . .
V1 Cs1B H2WA 101.4 1_655 .
C24 Cs1B H2WA 115.8 1_655 .
C28 Cs1B H2WA 74.8 1_645 .
V2 Cs1B H2WA 102.6 . .
Cs2 Cs1B H2WA 52.7 . .
O2WA Cs1B H2WB 18.4 . .
O2 Cs1B H2WB 100.3 1_655 .
O5 Cs1B H2WB 109.1 . .
O2WB Cs1B H2WB 33.6 . .
N8 Cs1B H2WB 74.7 1_645 .
O1 Cs1B H2WB 135.7 1_655 .
O6 Cs1B H2WB 95.4 . .
V1 Cs1B H2WB 120.2 1_655 .
C24 Cs1B H2WB 139.1 1_655 .
C28 Cs1B H2WB 60.1 1_645 .
V2 Cs1B H2WB 102.5 . .
Cs2 Cs1B H2WB 75.4 . .
H2WA Cs1B H2WB 25.5 . .
O2WA Cs1B H2WD 30.3 . .
O2 Cs1B H2WD 65.8 1_655 .
O5 Cs1B H2WD 152.6 . .
O2WB Cs1B H2WD 10.5 . .
N8 Cs1B H2WD 45.4 1_645 .
O1 Cs1B H2WD 92.0 1_655 .
O6 Cs1B H2WD 125.4 . .
V1 Cs1B H2WD 78.9 1_655 .
C24 Cs1B H2WD 127.0 1_655 .
C28 Cs1B H2WD 43.3 1_645 .
V2 Cs1B H2WD 142.7 . .
Cs2 Cs1B H2WD 81.4 . .
H2WA Cs1B H2WD 40.2 . .
H2WB Cs1B H2WD 43.8 . .
O6W Cs1C O5W 135.26(16) . 1_455
O6W Cs1C O7W 126.97(14) . 1_545
O5W Cs1C O7W 93.88(13) 1_455 1_545
O6W Cs1C O9 102.84(12) . 1_545
O5W Cs1C O9 76.33(11) 1_455 1_545
O7W Cs1C O9 64.99(10) 1_545 1_545
O6W Cs1C C28 64.62(13) . 1_645
O5W Cs1C C28 160.04(15) 1_455 1_645
O7W Cs1C C28 67.05(12) 1_545 1_645
O9 Cs1C C28 99.38(13) 1_545 1_645
O6W Cs1C O4W 72.61(12) . 2_757
O5W Cs1C O4W 81.14(12) 1_455 2_757
O7W Cs1C O4W 148.13(13) 1_545 2_757
O9 Cs1C O4W 141.54(13) 1_545 2_757
C28 Cs1C O4W 111.66(13) 1_645 2_757
O6W Cs1C O5 115.60(13) . .
O5W Cs1C O5 55.74(11) 1_455 .
O7W Cs1C O5 108.01(11) 1_545 .
O9 Cs1C O5 131.50(10) 1_545 .
C28 Cs1C O5 122.81(13) 1_645 .
O4W Cs1C O5 43.92(9) 2_757 .
O6W Cs1C N8 63.29(11) . 1_645
O5W Cs1C N8 155.02(14) 1_455 1_645
O7W Cs1C N8 78.76(11) 1_545 1_645
O9 Cs1C N8 120.16(12) 1_545 1_645
C28 Cs1C N8 20.79(11) 1_645 1_645
O4W Cs1C N8 92.54(11) 2_757 1_645
O5 Cs1C N8 103.54(11) . 1_645
O6W Cs1C O4W 83.23(12) . 1_455
O5W Cs1C O4W 64.70(11) 1_455 1_455
O7W Cs1C O4W 108.92(12) 1_545 1_455
O9 Cs1C O4W 44.69(9) 1_545 1_455
C28 Cs1C O4W 125.58(14) 1_645 1_455
O4W Cs1C O4W 97.40(12) 2_757 1_455
O5 Cs1C O4W 110.23(11) . 1_455
N8 Cs1C O4W 140.28(12) 1_645 1_455
O6W Cs1C Cs3 132.12(11) . 1_455
O5W Cs1C Cs3 39.02(8) 1_455 1_455
O7W Cs1C Cs3 70.52(8) 1_545 1_455
O9 Cs1C Cs3 38.36(6) 1_545 1_455
C28 Cs1C Cs3 130.71(12) 1_645 1_455
O4W Cs1C Cs3 117.61(9) 2_757 1_455
O5 Cs1C Cs3 93.18(7) . 1_455
N8 Cs1C Cs3 148.36(10) 1_645 1_455
O4W Cs1C Cs3 50.08(7) 1_455 1_455
O6W Cs1C Cs1C 71.71(10) . 2_657
O5W Cs1C Cs1C 63.69(10) 1_455 2_657
O7W Cs1C Cs1C 152.04(12) 1_545 2_657
O9 Cs1C Cs1C 92.22(10) 1_545 2_657
C28 Cs1C Cs1C 136.27(13) 1_645 2_657
O4W Cs1C Cs1C 49.61(9) 2_757 2_657
O5 Cs1C Cs1C 74.20(9) . 2_657
N8 Cs1C Cs1C 128.60(11) 1_645 2_657
O4W Cs1C Cs1C 47.78(8) 1_455 2_657
Cs3 Cs1C Cs1C 81.56(6) 1_455 2_657
O6W Cs1C H2WB 121.7 . .
O5W Cs1C H2WB 101.6 1_455 .
O7W Cs1C H2WB 36.7 1_545 .
O9 Cs1C H2WB 101.7 1_545 .
C28 Cs1C H2WB 59.7 1_645 .
O4W Cs1C H2WB 113.2 2_757 .
O5 Cs1C H2WB 82.9 . .
N8 Cs1C H2WB 58.6 1_645 .
O4W Cs1C H2WB 144.6 1_455 .
Cs3 Cs1C H2WB 98.0 1_455 .
Cs1C Cs1C H2WB 157.0 2_657 .
O6W Cs1C H6WA 11.4 . .
O5W Cs1C H6WA 141.6 1_455 .
O7W Cs1C H6WA 116.3 1_545 .
O9 Cs1C H6WA 94.7 1_545 .
C28 Cs1C H6WA 57.5 1_645 .
O4W Cs1C H6WA 84.0 2_757 .
O5 Cs1C H6WA 126.6 . .
N8 Cs1C H6WA 60.4 1_645 .
O4W Cs1C H6WA 82.5 1_455 .
Cs3 Cs1C H6WA 128.0 1_455 .
Cs1C Cs1C H6WA 79.7 2_657 .
H2WB Cs1C H6WA 116.8 . .
O6W Cs1C H6WB 15.2 . .
O5W Cs1C H6WB 120.2 1_455 .
O7W Cs1C H6WB 140.9 1_545 .
O9 Cs1C H6WB 102.8 1_545 .
C28 Cs1C H6WB 79.7 1_645 .
O4W Cs1C H6WB 63.1 2_757 .
O5 Cs1C H6WB 107.0 . .
N8 Cs1C H6WB 76.7 1_645 .
O4W Cs1C H6WB 73.9 1_455 .
Cs3 Cs1C H6WB 124.0 1_455 .
Cs1C Cs1C H6WB 56.6 2_657 .
H2WB Cs1C H6WB 135.3 . .
H6WA Cs1C H6WB 24.7 . .
O1 V1 O2 107.51(17) . .
O1 V1 O3 105.91(16) . .
O2 V1 O3 95.33(15) . .
O1 V1 O4 105.83(16) . .
O2 V1 O4 92.68(15) . .
O3 V1 O4 143.08(14) . .
O1 V1 N1 104.12(16) . .
O2 V1 N1 148.09(17) . .
O3 V1 N1 79.82(14) . .
O4 V1 N1 74.58(14) . .
V1 O1 Cs3 123.39(15) . 1_455
V1 O1 Cs1A 105.27(15) . 1_455
Cs3 O1 Cs1A 128.87(12) 1_455 1_455
V1 O1 Cs1B 96.7(12) . 1_455
Cs3 O1 Cs1B 136.5(11) 1_455 1_455
Cs1A O1 Cs1B 8.7(12) 1_455 1_455
O3 C1 C5 118.0(4) . .
O3 C1 C6 120.8(4) . .
C5 C1 C6 120.8(4) . .
C7 N1 N2 115.9(4) . .
C7 N1 V1 129.5(3) . .
N2 N1 V1 114.4(3) . .
Cs2 O1WA H1A 95.3 1_445 .
Cs2 O1WA H1B 52.0 1_445 .
H1A O1WA H1B 107.7 . .
Cs2 O1WB H1C 97.9 . .
Cs2 O1WB H1D 121.8 . .
H1C O1WB H1D 107.7 . .
O2WB Cs2 O1WB 79.2(3) 2_656 .
O2WB Cs2 O2 84.5(3) 2_656 2_556
O1WB Cs2 O2 152.72(18) . 2_556
O2WB Cs2 O6 137.9(3) 2_656 .
O1WB Cs2 O6 81.59(16) . .
O2 Cs2 O6 124.37(10) 2_556 .
O2WB Cs2 O4 117.9(3) 2_656 2_556
O1WB Cs2 O4 120.8(2) . 2_556
O2 Cs2 O4 50.11(8) 2_556 2_556
O6 Cs2 O4 104.19(9) . 2_556
O2WB Cs2 O1WA 87.0(3) 2_656 1_665
O1WB Cs2 O1WA 19.5(2) . 1_665
O2 Cs2 O1WA 139.2(2) 2_556 1_665
O6 Cs2 O1WA 87.08(18) . 1_665
O4 Cs2 O1WA 101.4(2) 2_556 1_665
O2WB Cs2 O2WA 14.6(3) 2_656 2_656
O1WB Cs2 O2WA 93.20(18) . 2_656
O2 Cs2 O2WA 73.27(10) 2_556 2_656
O6 Cs2 O2WA 137.89(11) . 2_656
O4 Cs2 O2WA 113.96(10) 2_556 2_656
O1WA Cs2 O2WA 101.67(19) 1_665 2_656
O2WB Cs2 N8 55.0(3) 2_656 2_566
O1WB Cs2 N8 77.10(18) . 2_566
O2 Cs2 N8 75.63(10) 2_556 2_566
O6 Cs2 N8 151.84(10) . 2_566
O4 Cs2 N8 72.23(9) 2_556 2_566
O1WA Cs2 N8 66.97(18) 1_665 2_566
O2WA Cs2 N8 62.23(10) 2_656 2_566
O2WB Cs2 O2 57.2(3) 2_656 1_655
O1WB Cs2 O2 106.0(2) . 1_655
O2 Cs2 O2 82.62(8) 2_556 1_655
O6 Cs2 O2 93.51(9) . 1_655
O4 Cs2 O2 131.57(8) 2_556 1_655
O1WA Cs2 O2 124.5(2) 1_665 1_655
O2WA Cs2 O2 47.67(9) 2_656 1_655
N8 Cs2 O2 109.86(9) 2_566 1_655
O2WB Cs2 O2WA 102.3(3) 2_656 .
O1WB Cs2 O2WA 159.9(2) . .
O2 Cs2 O2WA 45.83(9) 2_556 .
O6 Cs2 O2WA 84.27(10) . .
O4 Cs2 O2WA 76.57(9) 2_556 .
O1WA Cs2 O2WA 170.30(17) 1_665 .
O2WA Cs2 O2WA 87.72(10) 2_656 .
N8 Cs2 O2WA 120.51(10) 2_566 .
O2 Cs2 O2WA 60.59(8) 1_655 .
O2WB Cs2 Cs1B 103.5(3) 2_656 .
O1WB Cs2 Cs1B 119.7(7) . .
O2 Cs2 Cs1B 85.2(7) 2_556 .
O6 Cs2 Cs1B 56.1(5) . .
O4 Cs2 Cs1B 110.6(6) 2_556 .
O1WA Cs2 Cs1B 135.5(7) 1_665 .
O2WA Cs2 Cs1B 92.9(2) 2_656 .
N8 Cs2 Cs1B 152.0(4) 2_566 .
O2 Cs2 Cs1B 46.39(18) 1_655 .
O2WA Cs2 Cs1B 40.2(7) . .
O2WB Cs2 V1 97.1(3) 2_656 2_556
O1WB Cs2 V1 140.0(2) . 2_556
O2 Cs2 V1 22.30(6) 2_556 2_556
O6 Cs2 V1 121.10(7) . 2_556
O4 Cs2 V1 28.30(6) 2_556 2_556
O1WA Cs2 V1 121.8(2) 1_665 2_556
O2WA Cs2 V1 89.19(8) 2_656 2_556
N8 Cs2 V1 68.86(7) 2_566 2_556
O2 Cs2 V1 104.91(6) 1_655 2_556
O2WA Cs2 V1 60.11(7) . 2_556
Cs1B Cs2 V1 100.0(7) . 2_556
O2WB Cs2 H1C 90.2 2_656 .
O1WB Cs2 H1C 15.9 . .
O2 Cs2 H1C 168.4 2_556 .
O6 Cs2 H1C 65.9 . .
O4 Cs2 H1C 125.3 2_556 .
O1WA Cs2 H1C 29.7 1_665 .
O2WA Cs2 H1C 103.0 2_656 .
N8 Cs2 H1C 92.9 2_566 .
O2 Cs2 H1C 103.1 1_655 .
O2WA Cs2 H1C 145.8 . .
Cs1B Cs2 H1C 106.1 . .
V1 Cs2 H1C 150.4 2_556 .
O2WB Cs2 H1D 67.3 2_656 .
O1WB Cs2 H1D 12.4 . .
O2 Cs2 H1D 146.6 2_556 .
O6 Cs2 H1D 89.0 . .
O4 Cs2 H1D 128.7 2_556 .
O1WA Cs2 H1D 28.8 1_665 .
O2WA Cs2 H1D 81.0 2_656 .
N8 Cs2 H1D 73.7 2_566 .
O2 Cs2 H1D 95.7 1_655 .
O2WA Cs2 H1D 154.7 . .
Cs1B Cs2 H1D 117.5 . .
V1 Cs2 H1D 141.5 2_556 .
H1C Cs2 H1D 24.1 . .
O2WB Cs2 H2WA 103.9 2_656 .
O1WB Cs2 H2WA 170.3 . .
O2 Cs2 H2WA 36.7 2_556 .
O6 Cs2 H2WA 90.2 . .
O4 Cs2 H2WA 66.2 2_556 .
O1WA Cs2 H2WA 166.2 1_665 .
O2WA Cs2 H2WA 89.4 2_656 .
N8 Cs2 H2WA 112.3 2_566 .
O2 Cs2 H2WA 69.1 1_655 .
O2WA Cs2 H2WA 10.9 . .
Cs1B Cs2 H2WA 50.7 . .
V1 Cs2 H2WA 49.4 2_556 .
H1C Cs2 H2WA 154.8 . .
H1D Cs2 H2WA 164.7 . .
O6 V2 O5 108.3(2) . .
O6 V2 O7 101.82(16) . .
O5 V2 O7 93.40(16) . .
O6 V2 O8 101.22(17) . .
O5 V2 O8 94.07(16) . .
O7 V2 O8 152.11(14) . .
O6 V2 N3 118.09(19) . .
O5 V2 N3 133.46(17) . .
O7 V2 N3 80.55(14) . .
O8 V2 N3 74.83(14) . .
V1 O2 Cs1B 105.6(14) . 1_455
V1 O2 Cs2 112.97(15) . 2_556
Cs1B O2 Cs2 92.5(8) 1_455 2_556
V1 O2 Cs1A 97.09(15) . 1_455
Cs1B O2 Cs1A 8.5(14) 1_455 1_455
Cs2 O2 Cs1A 96.50(9) 2_556 1_455
V1 O2 Cs2 149.59(16) . 1_455
Cs1B O2 Cs2 73.6(11) 1_455 1_455
Cs2 O2 Cs2 97.38(8) 2_556 1_455
Cs1A O2 Cs2 80.59(8) 1_455 1_455
O7 C2 C3 121.2(4) . .
O7 C2 C6 117.4(4) . .
C3 C2 C6 121.2(4) . .
C9 N2 N1 109.4(4) . .
O2WB O2WA Cs1B 106.2(8) . .
O2WB O2WA Cs1A 103.5(6) . .
Cs1B O2WA Cs1A 5.3(9) . .
O2WB O2WA Cs2 30.3(5) . 2_656
Cs1B O2WA Cs2 97.6(3) . 2_656
Cs1A O2WA Cs2 97.51(11) . 2_656
O2WB O2WA Cs2 122.5(6) . .
Cs1B O2WA Cs2 73.7(9) . .
Cs1A O2WA Cs2 78.94(10) . .
Cs2 O2WA Cs2 92.28(10) 2_656 .
O2WB O2WA H2WA 116.4 . .
Cs1B O2WA H2WA 117.9 . .
Cs1A O2WA H2WA 123.0 . .
Cs2 O2WA H2WA 97.7 2_656 .
Cs2 O2WA H2WA 45.9 . .
O2WB O2WA H2WB 124.5 . .
Cs1B O2WA H2WB 79.0 . .
Cs1A O2WA H2WB 76.7 . .
Cs2 O2WA H2WB 152.9 2_656 .
Cs2 O2WA H2WB 112.1 . .
H2WA O2WA H2WB 107.7 . .
O2WA O2WB Cs2 135.1(8) . 2_656
O2WA O2WB Cs1B 53.8(9) . .
Cs2 O2WB Cs1B 106.8(5) 2_656 .
O2WA O2WB Cs1A 58.5(5) . .
Cs2 O2WB Cs1A 106.4(4) 2_656 .
Cs1B O2WB Cs1A 6.1(10) . .
O2WA O2WB H2WC 103.6 . .
Cs2 O2WB H2WC 111.2 2_656 .
Cs1B O2WB H2WC 139.7 . .
Cs1A O2WB H2WC 137.6 . .
O2WA O2WB H2WD 130.8 . .
Cs2 O2WB H2WD 44.3 2_656 .
Cs1B O2WB H2WD 78.2 . .
Cs1A O2WB H2WD 74.6 . .
H2WC O2WB H2WD 121.8 . .
O1 Cs3 O9 133.05(9) 1_655 1_645
O1 Cs3 O3W 134.95(9) 1_655 .
O9 Cs3 O3W 91.99(10) 1_645 .
O1 Cs3 N9 67.82(10) 1_655 2_767
O9 Cs3 N9 149.47(10) 1_645 2_767
O3W Cs3 N9 71.92(11) . 2_767
O1 Cs3 O5W 114.53(10) 1_655 .
O9 Cs3 O5W 77.68(9) 1_645 .
O3W Cs3 O5W 69.79(10) . .
N9 Cs3 O5W 72.48(10) 2_767 .
O1 Cs3 O12 92.33(9) 1_655 1_645
O9 Cs3 O12 49.36(9) 1_645 1_645
O3W Cs3 O12 124.47(10) . 1_645
N9 Cs3 O12 159.67(10) 2_767 1_645
O5W Cs3 O12 122.36(9) . 1_645
O1 Cs3 O3W 63.17(9) 1_655 2_757
O9 Cs3 O3W 131.28(10) 1_645 2_757
O3W Cs3 O3W 88.01(10) . 2_757
N9 Cs3 O3W 75.32(11) 2_767 2_757
O5W Cs3 O3W 145.19(10) . 2_757
O12 Cs3 O3W 92.19(9) 1_645 2_757
O1 Cs3 O4W 176.26(10) 1_655 .
O9 Cs3 O4W 46.51(9) 1_645 .
O3W Cs3 O4W 45.81(9) . .
N9 Cs3 O4W 110.97(10) 2_767 .
O5W Cs3 O4W 61.86(10) . .
O12 Cs3 O4W 89.12(9) 1_645 .
O3W Cs3 O4W 120.23(10) 2_757 .
O1 Cs3 V3 115.18(6) 1_655 1_645
O9 Cs3 V3 20.87(7) 1_645 1_645
O3W Cs3 V3 108.62(7) . 1_645
N9 Cs3 V3 167.10(9) 2_767 1_645
O5W Cs3 V3 95.40(7) . 1_645
O12 Cs3 V3 28.80(6) 1_645 1_645
O3W Cs3 V3 117.47(7) 2_757 1_645
O4W Cs3 V3 65.18(6) . 1_645
O1 Cs3 V1 19.04(6) 1_655 1_655
O9 Cs3 V1 118.19(7) 1_645 1_655
O3W Cs3 V1 147.05(7) . 1_655
N9 Cs3 V1 75.20(8) 2_767 1_655
O5W Cs3 V1 102.24(7) . 1_655
O12 Cs3 V1 87.32(6) 1_645 1_655
O3W Cs3 V1 81.72(7) 2_757 1_655
O4W Cs3 V1 157.90(7) . 1_655
V3 Cs3 V1 103.879(18) 1_645 1_655
O1 Cs3 Cs3 99.65(6) 1_655 2_757
O9 Cs3 Cs3 119.21(7) 1_645 2_757
O3W Cs3 Cs3 44.68(7) . 2_757
N9 Cs3 Cs3 66.95(9) 2_767 2_757
O5W Cs3 Cs3 109.90(7) . 2_757
O12 Cs3 Cs3 114.55(6) 1_645 2_757
O3W Cs3 Cs3 43.34(7) 2_757 2_757
O4W Cs3 Cs3 82.85(7) . 2_757
V3 Cs3 Cs3 122.946(17) 1_645 2_757
V1 Cs3 Cs3 118.358(15) 1_655 2_757
O1 Cs3 Cs1C 126.32(7) 1_655 1_655
O9 Cs3 Cs1C 45.34(7) 1_645 1_655
O3W Cs3 Cs1C 83.26(8) . 1_655
N9 Cs3 Cs1C 105.70(9) 2_767 1_655
O5W Cs3 Cs1C 33.38(7) . 1_655
O12 Cs3 Cs1C 89.33(7) 1_645 1_655
O3W Cs3 Cs1C 170.34(8) 2_757 1_655
O4W Cs3 Cs1C 50.23(8) . 1_655
V3 Cs3 Cs1C 62.03(4) 1_645 1_655
V1 Cs3 Cs1C 107.89(4) 1_655 1_655
Cs3 Cs3 Cs1C 127.81(4) 2_757 1_655
O1 Cs3 H3WA 150.0 1_655 .
O9 Cs3 H3WA 76.9 1_645 .
O3W Cs3 H3WA 15.2 . .
N9 Cs3 H3WA 86.3 2_767 .
O5W Cs3 H3WA 68.7 . .
O12 Cs3 H3WA 111.4 1_645 .
O3W Cs3 H3WA 96.5 2_757 .
O4W Cs3 H3WA 31.2 . .
V3 Cs3 H3WA 93.5 1_645 .
V1 Cs3 H3WA 161.3 1_655 .
Cs3 Cs3 H3WA 54.4 2_757 .
Cs1C Cs3 H3WA 74.0 1_655 .
O1 Cs3 H4WB 166.7 1_655 .
O9 Cs3 H4WB 35.1 1_645 .
O3W Cs3 H4WB 57.5 . .
N9 Cs3 H4WB 120.2 2_767 .
O5W Cs3 H4WB 62.2 . .
O12 Cs3 H4WB 80.1 1_645 .
O3W Cs3 H4WB 127.5 2_757 .
O4W Cs3 H4WB 11.7 . .
V3 Cs3 H4WB 54.5 1_645 .
V1 Cs3 H4WB 148.2 1_655 .
Cs3 Cs3 H4WB 93.4 2_757 .
Cs1C Cs3 H4WB 43.4 1_655 .
H3WA Cs3 H4WB 42.9 . .
O10 V3 O9 108.88(18) . .
O10 V3 O11 104.94(16) . .
O9 V3 O11 94.96(16) . .
O10 V3 O12 105.29(16) . .
O9 V3 O12 92.26(15) . .
O11 V3 O12 144.64(15) . .
O10 V3 N5 105.50(17) . .
O9 V3 N5 145.33(17) . .
O11 V3 N5 80.23(15) . .
O12 V3 N5 74.38(14) . .
C1 O3 V1 129.0(3) . .
Cs3 O3W Cs3 91.99(10) . 2_757
Cs3 O3W Cs1A 143.39(13) . 2_757
Cs3 O3W Cs1A 107.85(11) 2_757 2_757
Cs3 O3W H3WA 87.0 . .
Cs3 O3W H3WA 124.2 2_757 .
Cs1A O3W H3WA 56.4 2_757 .
Cs3 O3W H3WB 125.1 . .
Cs3 O3W H3WB 117.6 2_757 .
Cs1A O3W H3WB 72.7 2_757 .
H3WA O3W H3WB 107.7 . .
C15 N3 N4 113.8(4) . .
C15 N3 V2 131.1(3) . .
N4 N3 V2 114.6(3) . .
C2 C3 C4 118.5(4) . .
C2 C3 C15 120.5(4) . .
C4 C3 C15 121.0(4) . .
C9 O4 V1 118.5(3) . .
C9 O4 Cs2 135.8(3) . 2_556
V1 O4 Cs2 102.62(12) . 2_556
Cs1A O4W Cs1C 51.66(8) 2_757 2_757
Cs1A O4W Cs3 122.33(12) 2_757 .
Cs1C O4W Cs3 117.74(12) 2_757 .
Cs1A O4W Cs1C 134.04(15) 2_757 1_655
Cs1C O4W Cs1C 82.60(12) 2_757 1_655
Cs3 O4W Cs1C 79.69(9) . 1_655
Cs1A O4W H4WA 75.5 2_757 .
Cs1C O4W H4WA 78.4 2_757 .
Cs3 O4W H4WA 160.6 . .
Cs1C O4W H4WA 92.8 1_655 .
Cs1A O4W H4WB 173.4 2_757 .
Cs1C O4W H4WB 134.2 2_757 .
Cs3 O4W H4WB 53.7 . .
Cs1C O4W H4WB 52.3 1_655 .
H4WA O4W H4WB 107.7 . .
C17 N4 N3 108.2(4) . .
O11 C4 C5 120.4(4) . .
O11 C4 C3 119.3(4) . .
C5 C4 C3 120.2(4) . .
V2 O5 Cs1A 114.70(18) . .
V2 O5 Cs1B 106.8(11) . .
Cs1A O5 Cs1B 9.1(13) . .
V2 O5 Cs1C 137.34(17) . .
Cs1A O5 Cs1C 54.25(7) . .
Cs1B O5 Cs1C 56.4(4) . .
Cs1C O5W Cs3 107.59(13) 1_655 .
Cs1C O5W H5WA 118.9 1_655 .
Cs3 O5W H5WA 101.5 . .
Cs1C O5W H5WB 88.5 1_655 .
Cs3 O5W H5WB 131.5 . .
H5WA O5W H5WB 110.1 . .
C23 N5 N6 114.5(4) . .
C23 N5 V3 129.7(3) . .
N6 N5 V3 115.7(3) . .
C4 C5 C1 119.7(4) . .
C4 C5 C23 121.1(4) . .
C1 C5 C23 119.2(4) . .
V2 O6 Cs2 170.6(2) . .
V2 O6 Cs1B 97.5(11) . .
Cs2 O6 Cs1B 74.9(12) . .
V2 O6 Cs1A 90.88(17) . .
Cs2 O6 Cs1A 81.86(9) . .
Cs1B O6 Cs1A 7.8(13) . .
C25 N6 N5 109.2(4) . .
C1 C6 C2 118.2(4) . .
C1 C6 C7 120.3(4) . .
C2 C6 C7 121.3(4) . .
Cs1C O6W H6WA 127.8 . .
Cs1C O6W H6WB 105.4 . .
H6WA O6W H6WB 113.1 . .
C2 O7 V2 133.6(3) . .
C13 N7 C14 117.4(5) . .
N1 C7 C6 119.3(4) . .
N1 C7 C8 119.9(4) . .
C6 C7 C8 120.6(4) . .
Cs1C O7W H7WA 123.1 1_565 .
Cs1C O7W H7WB 80.5 1_565 .
H7WA O7W H7WB 107.6 . .
C17 O8 V2 118.1(3) . .
C27 N8 C28 116.8(4) . .
C27 N8 Cs1A 120.7(3) . 1_465
C28 N8 Cs1A 115.8(3) . 1_465
C27 N8 Cs1B 126.7(9) . 1_465
C28 N8 Cs1B 113.5(5) . 1_465
Cs1A N8 Cs1B 9.3(14) 1_465 1_465
C27 N8 Cs2 101.2(3) . 2_566
C28 N8 Cs2 103.8(3) . 2_566
Cs1A N8 Cs2 91.03(11) 1_465 2_566
Cs1B N8 Cs2 82.8(13) 1_465 2_566
C27 N8 Cs1C 133.5(3) . 1_465
C28 N8 Cs1C 68.2(3) . 1_465
Cs1A N8 Cs1C 52.48(8) 1_465 1_465
Cs1B N8 Cs1C 55.3(6) 1_465 1_465
Cs2 N8 Cs1C 123.31(12) 2_566 1_465
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
V3 O9 Cs3 117.59(16) . 1_465
V3 O9 Cs1C 127.00(17) . 1_565
Cs3 O9 Cs1C 96.30(10) 1_465 1_565
N2 C9 O4 122.9(4) . .
N2 C9 C10 119.1(4) . .
O4 C9 C10 118.0(4) . .
C22 N9 C21 117.2(4) . .
C22 N9 Cs3 124.7(3) . 2_767
C21 N9 Cs3 114.1(3) . 2_767
C11 C10 C14 117.7(4) . .
C11 C10 C9 123.0(4) . .
C14 C10 C9 119.3(4) . .
C4 O11 V3 132.8(3) . .
C12 C11 C10 118.8(5) . .
C12 C11 H11 120.6 . .
C10 C11 H11 120.6 . .
C25 O12 V3 116.8(3) . .
C25 O12 Cs3 138.0(3) . 1_465
V3 O12 Cs3 99.77(12) . 1_465
C11 C12 C13 119.3(5) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
N7 C13 C12 123.6(5) . .
N7 C13 H13 118.2 . .
C12 C13 H13 118.2 . .
N7 C14 C10 123.2(5) . .
N7 C14 H14 118.4 . .
C10 C14 H14 118.4 . .
N3 C15 C3 120.6(4) . .
N3 C15 C16 119.3(4) . .
C3 C15 C16 120.1(4) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O8 C17 N4 124.2(4) . .
O8 C17 C18 117.5(4) . .
N4 C17 C18 118.3(4) . .
C22 C18 C19 118.0(4) . .
C22 C18 C17 121.7(4) . .
C19 C18 C17 120.3(4) . .
C20 C19 C18 119.0(5) . .
C20 C19 H19 120.5 . .
C18 C19 H19 120.5 . .
C19 C20 C21 118.4(5) . .
C19 C20 H20 120.8 . .
C21 C20 H20 120.8 . .
N9 C21 C20 123.4(5) . .
N9 C21 H21 118.3 . .
C20 C21 H21 118.3 . .
N9 C22 C18 124.0(5) . .
N9 C22 H22 118.0 . .
C18 C22 H22 118.0 . .
N5 C23 C5 119.8(4) . .
N5 C23 C24 119.5(4) . .
C5 C23 C24 120.6(4) . .
C23 C24 Cs1A 160.5(3) . 1_455
C23 C24 Cs1B 163.4(4) . 1_455
Cs1A C24 Cs1B 7.7(12) 1_455 1_455
C23 C24 H24A 111(3) . .
Cs1A C24 H24A 50(3) 1_455 .
Cs1B C24 H24A 56(4) 1_455 .
C23 C24 H24B 111(3) . .
Cs1A C24 H24B 83(3) 1_455 .
Cs1B C24 H24B 85(3) 1_455 .
H24A C24 H24B 109(4) . .
C23 C24 H24C 107(4) . .
Cs1A C24 H24C 80(4) 1_455 .
Cs1B C24 H24C 73(4) 1_455 .
H24A C24 H24C 109(5) . .
H24B C24 H24C 110(5) . .
N6 C25 O12 123.8(4) . .
N6 C25 C26 117.2(4) . .
O12 C25 C26 118.9(4) . .
C27 C26 C30 117.5(4) . .
C27 C26 C25 121.9(4) . .
C30 C26 C25 120.6(4) . .
N8 C27 C26 124.3(5) . .
N8 C27 H27 117.8 . .
C26 C27 H27 117.8 . .
N8 C28 C29 123.0(5) . .
N8 C28 Cs1C 91.0(3) . 1_465
C29 C28 Cs1C 121.0(4) . 1_465
N8 C28 Cs1B 48.1(4) . 1_465
C29 C28 Cs1B 162.8(12) . 1_465
Cs1C C28 Cs1B 52.1(6) 1_465 1_465
N8 C28 Cs1A 46.1(2) . 1_465
C29 C28 Cs1A 155.3(4) . 1_465
Cs1C C28 Cs1A 49.28(8) 1_465 1_465
Cs1B C28 Cs1A 7.5(11) 1_465 1_465
N8 C28 H28 118.5 . .
C29 C28 H28 118.5 . .
Cs1C C28 H28 56.0 1_465 .
Cs1B C28 H28 72.5 1_465 .
Cs1A C28 H28 77.0 1_465 .
C30 C29 C28 119.5(5) . .
C30 C29 H29 120.3 . .
C28 C29 H29 120.3 . .
C29 C30 C26 118.8(5) . .
C29 C30 H30 120.6 . .
C26 C30 H30 120.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1A O5 2.993(4) .
Cs1A O1 3.038(3) 1_655
Cs1A O2WA 3.106(5) .
Cs1A N8 3.138(4) 1_645
Cs1A O2 3.221(4) 1_655
Cs1A O4W 3.448(4) 2_757
Cs1A O3W 3.524(4) 2_757
Cs1A O2WB 3.542(10) .
Cs1A O6 3.597(4) .
Cs1A C24 3.814(5) 1_655
Cs1A C28 3.918(6) 1_645
Cs1A H2WB 3.0254 .
Cs1A H2WD 3.4334 .
Cs1B O2WA 2.66(7) .
Cs1B O2 2.99(3) 1_655
Cs1B O5 3.16(4) .
Cs1B O2WB 3.17(6) .
Cs1B N8 3.176(15) 1_645
Cs1B O1 3.24(4) 1_655
Cs1B O6 3.40(2) .
Cs1B C24 3.829(18) 1_655
Cs1B C28 3.914(14) 1_645
Cs1C O6W 2.801(5) .
Cs1C O5W 2.815(4) 1_455
Cs1C O7W 2.977(5) 1_545
Cs1C O9 3.490(4) 1_545
Cs1C C28 3.529(6) 1_645
Cs1C O4W 3.704(5) 2_757
Cs1C O5 3.715(4) .
Cs1C N8 3.801(5) 1_645
Cs1C O4W 3.810(6) 1_455
V1 O1 1.620(3) .
V1 O2 1.659(3) .
V1 O3 1.881(3) .
V1 O4 1.956(3) .
V1 N1 2.155(4) .
O1 Cs3 3.028(3) 1_455
O1 Cs1A 3.038(3) 1_455
O1 Cs1B 3.24(4) 1_455
C1 O3 1.319(5) .
C1 C5 1.409(6) .
C1 C6 1.410(6) .
N1 C7 1.305(6) .
N1 N2 1.418(5) .
O1WA Cs2 3.143(11) 1_445
O1WA H1A 0.8500 .
O1WA H1B 0.8499 .
O1WB Cs2 2.831(7) .
O1WB H1C 0.8502 .
O1WB H1D 0.8499 .
Cs2 O2WB 2.246(11) 2_656
Cs2 O2 3.077(3) 2_556
Cs2 O6 3.102(4) .
Cs2 O4 3.117(3) 2_556
Cs2 O1WA 3.143(11) 1_665
Cs2 O2WA 3.144(4) 2_656
Cs2 N8 3.443(5) 2_566
Cs2 O2 3.576(3) 1_655
Cs2 O2WA 3.775(5) .
V2 O6 1.616(4) .
V2 O5 1.636(3) .
V2 O7 1.914(3) .
V2 O8 1.954(3) .
V2 N3 2.144(4) .
O2 Cs1B 2.99(3) 1_455
O2 Cs2 3.077(3) 2_556
O2 Cs1A 3.221(4) 1_455
O2 Cs2 3.576(3) 1_455
C2 O7 1.315(5) .
C2 C3 1.410(6) .
C2 C6 1.429(6) .
N2 C9 1.292(6) .
O2WA O2WB 1.125(11) .
O2WA Cs2 3.144(4) 2_656
O2WA H2WA 0.8499 .
O2WA H2WB 0.8500 .
O2WB Cs2 2.246(11) 2_656
O2WB H2WC 0.8500 .
O2WB H2WD 0.5798 .
Cs3 O1 3.028(3) 1_655
Cs3 O9 3.044(3) 1_645
Cs3 O3W 3.166(4) .
Cs3 N9 3.189(4) 2_767
Cs3 O5W 3.221(4) .
Cs3 O12 3.228(3) 1_645
Cs3 O3W 3.244(4) 2_757
Cs3 O4W 3.801(4) .
Cs3 V3 4.0685(8) 1_645
Cs3 V1 4.1470(9) 1_655
V3 O10 1.621(4) .
V3 O9 1.635(3) .
V3 O11 1.907(3) .
V3 O12 1.989(3) .
V3 N5 2.129(4) .
O3W Cs3 3.244(4) 2_757
O3W Cs1A 3.524(4) 2_757
O3W H3WA 0.8501 .
O3W H3WB 0.8500 .
N3 C15 1.315(6) .
N3 N4 1.420(5) .
C3 C4 1.426(6) .
C3 C15 1.466(6) .
O4 C9 1.326(5) .
O4 Cs2 3.117(3) 2_556
O4W Cs1A 3.448(4) 2_757
O4W Cs1C 3.704(5) 2_757
O4W Cs1C 3.810(6) 1_655
O4W H4WA 0.8500 .
O4W H4WB 0.8499 .
N4 C17 1.304(6) .
C4 O11 1.304(5) .
C4 C5 1.403(7) .
O5W Cs1C 2.815(4) 1_655
O5W H5WA 0.8495 .
O5W H5WB 0.8499 .
N5 C23 1.313(6) .
N5 N6 1.398(5) .
C5 C23 1.457(6) .
N6 C25 1.292(6) .
C6 C7 1.466(6) .
O6W H6WA 0.8501 .
O6W H6WB 0.8504 .
N7 C13 1.330(7) .
N7 C14 1.342(6) .
C7 C8 1.504(6) .
O7W Cs1C 2.977(5) 1_565
O7W H7WA 0.8500 .
O7W H7WB 0.8500 .
O8 C17 1.303(6) .
N8 C27 1.334(6) .
N8 C28 1.349(7) .
N8 Cs1A 3.138(4) 1_465
N8 Cs1B 3.176(15) 1_465
N8 Cs2 3.443(5) 2_566
N8 Cs1C 3.801(5) 1_465
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
O9 Cs3 3.044(3) 1_465
O9 Cs1C 3.490(4) 1_565
C9 C10 1.463(6) .
N9 C22 1.337(7) .
N9 C21 1.340(7) .
N9 Cs3 3.189(4) 2_767
C10 C11 1.396(6) .
C10 C14 1.410(7) .
C11 C12 1.375(7) .
C11 H11 0.9300 .
O12 C25 1.311(6) .
O12 Cs3 3.228(3) 1_465
C12 C13 1.385(8) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.508(6) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.486(7) .
C18 C22 1.390(7) .
C18 C19 1.393(7) .
C19 C20 1.385(7) .
C19 H19 0.9300 .
C20 C21 1.395(7) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.508(7) .
C24 Cs1A 3.814(5) 1_455
C24 Cs1B 3.829(18) 1_455
C24 H24A 1.01(6) .
C24 H24B 1.07(6) .
C24 H24C 0.85(6) .
C25 C26 1.473(6) .
C26 C27 1.387(7) .
C26 C30 1.406(7) .
C27 H27 0.9300 .
C28 C29 1.387(8) .
C28 Cs1C 3.529(6) 1_465
C28 Cs1B 3.914(14) 1_465
C28 Cs1A 3.918(6) 1_465
C28 H28 0.9300 .
C29 C30 1.365(7) .
C29 H29 0.9300 .
C30 H30 0.9300 .
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
O1WB H1C N6 0.85 2.28 2.998(10) 141.9 1_655
O1WB H1D N7 0.85 2.13 2.795(8) 135.2 1_665
O2WA H2WA O2 0.85 2.00 2.744(5) 146.3 2_556
O2WA H2WB O7W 0.85 2.06 2.795(5) 144.3 1_545
O3W H3WA O4W 0.85 1.97 2.774(5) 158.2 .
O3W H3WB O6W 0.85 2.07 2.817(5) 147.1 2_757
O4W H4WA O5 0.85 1.99 2.775(5) 152.6 2_757
O4W H4WB O9 0.85 1.96 2.791(5) 166.6 1_645
O5W H5WA O6W 0.85 1.99 2.841(5) 180.0 2_757
O5W H5WB O7 0.85 2.24 2.992(5) 147.0 1_655
O5W H5WB O5 0.85 2.45 3.154(5) 140.1 1_655
O6W H6WA N4 0.85 2.31 3.144(5) 166.2 1_545
O7W H7WA N2 0.85 2.06 2.908(5) 177.0 1_565
O7W H7WB O10 0.85 2.00 2.737(5) 145.1 .
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
O2 V1 O1 Cs3 158.78(17) . 1_455
O3 V1 O1 Cs3 -100.19(18) . 1_455
O4 V1 O1 Cs3 60.7(2) . 1_455
N1 V1 O1 Cs3 -17.0(2) . 1_455
O2 V1 O1 Cs1A -4.79(18) . 1_455
O3 V1 O1 Cs1A 96.24(14) . 1_455
O4 V1 O1 Cs1A -102.86(14) . 1_455
N1 V1 O1 Cs1A 179.48(13) . 1_455
O2 V1 O1 Cs1B -3.4(4) . 1_455
O3 V1 O1 Cs1B 97.6(4) . 1_455
O4 V1 O1 Cs1B -101.5(4) . 1_455
N1 V1 O1 Cs1B -179.2(4) . 1_455
O1 V1 N1 C7 -82.6(4) . .
O2 V1 N1 C7 105.1(5) . .
O3 V1 N1 C7 21.4(4) . .
O4 V1 N1 C7 174.5(4) . .
O1 V1 N1 N2 102.3(3) . .
O2 V1 N1 N2 -70.0(4) . .
O3 V1 N1 N2 -153.7(3) . .
O4 V1 N1 N2 -0.6(3) . .
O2WA Cs1B Cs2 O2WB -93.2(4) . 2_656
O2 Cs1B Cs2 O2WB 1.2(9) 1_655 2_656
O5 Cs1B Cs2 O2WB 141.8(6) . 2_656
O2WB Cs1B Cs2 O2WB -75.5(5) . 2_656
N8 Cs1B Cs2 O2WB -50.8(12) 1_645 2_656
O1 Cs1B Cs2 O2WB 24.0(12) 1_655 2_656
O6 Cs1B Cs2 O2WB 139.2(3) . 2_656
V1 Cs1B Cs2 O2WB 14.1(8) 1_655 2_656
C24 Cs1B Cs2 O2WB 73.1(4) 1_655 2_656
C28 Cs1B Cs2 O2WB -73.1(7) 1_645 2_656
V2 Cs1B Cs2 O2WB 141.6(4) . 2_656
O2WA Cs1B Cs2 O1WB -178.3(2) . .
O2 Cs1B Cs2 O1WB -84.0(7) 1_655 .
O5 Cs1B Cs2 O1WB 56.6(8) . .
O2WB Cs1B Cs2 O1WB -160.7(4) . .
N8 Cs1B Cs2 O1WB -135.9(10) 1_645 .
O1 Cs1B Cs2 O1WB -61.1(10) 1_655 .
O6 Cs1B Cs2 O1WB 54.0(4) . .
V1 Cs1B Cs2 O1WB -71.0(7) 1_655 .
C24 Cs1B Cs2 O1WB -12.0(3) 1_655 .
C28 Cs1B Cs2 O1WB -158.3(5) 1_645 .
V2 Cs1B Cs2 O1WB 56.4(4) . .
O2WA Cs1B Cs2 O2 -10.0(2) . 2_556
O2 Cs1B Cs2 O2 84.3(7) 1_655 2_556
O5 Cs1B Cs2 O2 -135.1(8) . 2_556
O2WB Cs1B Cs2 O2 7.6(3) . 2_556
N8 Cs1B Cs2 O2 32.4(10) 1_645 2_556
O1 Cs1B Cs2 O2 107.2(10) 1_655 2_556
O6 Cs1B Cs2 O2 -137.7(4) . 2_556
V1 Cs1B Cs2 O2 97.3(6) 1_655 2_556
C24 Cs1B Cs2 O2 156.3(2) 1_655 2_556
C28 Cs1B Cs2 O2 10.0(5) 1_645 2_556
V2 Cs1B Cs2 O2 -135.3(4) . 2_556
O2WA Cs1B Cs2 O6 127.6(4) . .
O2 Cs1B Cs2 O6 -138.0(10) 1_655 .
O5 Cs1B Cs2 O6 2.5(4) . .
O2WB Cs1B Cs2 O6 145.3(6) . .
N8 Cs1B Cs2 O6 170.0(13) 1_645 .
O1 Cs1B Cs2 O6 -115.2(13) 1_655 .
V1 Cs1B Cs2 O6 -125.1(10) 1_655 .
C24 Cs1B Cs2 O6 -66.1(5) 1_655 .
C28 Cs1B Cs2 O6 147.7(8) 1_645 .
V2 Cs1B Cs2 O6 2.36(10) . .
O2WA Cs1B Cs2 O4 34.0(4) . 2_556
O2 Cs1B Cs2 O4 128.4(5) 1_655 2_556
O5 Cs1B Cs2 O4 -91.1(9) . 2_556
O2WB Cs1B Cs2 O4 51.7(3) . 2_556
N8 Cs1B Cs2 O4 76.4(9) 1_645 2_556
O1 Cs1B Cs2 O4 151.2(8) 1_655 2_556
O6 Cs1B Cs2 O4 -93.6(5) . 2_556
V1 Cs1B Cs2 O4 141.3(5) 1_655 2_556
C24 Cs1B Cs2 O4 -159.69(12) 1_655 2_556
C28 Cs1B Cs2 O4 54.1(4) 1_645 2_556
V2 Cs1B Cs2 O4 -91.2(6) . 2_556
O2WA Cs1B Cs2 O1WA 167.1(3) . 1_665
O2 Cs1B Cs2 O1WA -98.5(6) 1_655 1_665
O5 Cs1B Cs2 O1WA 42.0(9) . 1_665
O2WB Cs1B Cs2 O1WA -175.2(3) . 1_665
N8 Cs1B Cs2 O1WA -150.5(9) 1_645 1_665
O1 Cs1B Cs2 O1WA -75.7(9) 1_655 1_665
O6 Cs1B Cs2 O1WA 39.5(6) . 1_665
V1 Cs1B Cs2 O1WA -85.6(6) 1_655 1_665
C24 Cs1B Cs2 O1WA -26.6(4) 1_655 1_665
C28 Cs1B Cs2 O1WA -172.9(4) 1_645 1_665
V2 Cs1B Cs2 O1WA 41.8(6) . 1_665
O2WA Cs1B Cs2 O2WA -83.0(2) . 2_656
O2 Cs1B Cs2 O2WA 11.4(7) 1_655 2_656
O5 Cs1B Cs2 O2WA 152.0(7) . 2_656
O2WB Cs1B Cs2 O2WA -65.3(3) . 2_656
N8 Cs1B Cs2 O2WA -40.6(10) 1_645 2_656
O1 Cs1B Cs2 O2WA 34.2(10) 1_655 2_656
O6 Cs1B Cs2 O2WA 149.4(3) . 2_656
V1 Cs1B Cs2 O2WA 24.3(7) 1_655 2_656
C24 Cs1B Cs2 O2WA 83.3(2) 1_655 2_656
C28 Cs1B Cs2 O2WA -62.9(5) 1_645 2_656
V2 Cs1B Cs2 O2WA 151.8(4) . 2_656
O2WA Cs1B Cs2 N8 -56.7(11) . 2_566
O2 Cs1B Cs2 N8 37.7(17) 1_655 2_566
O5 Cs1B Cs2 N8 178.3(3) . 2_566
O2WB Cs1B Cs2 N8 -39.0(13) . 2_566
N8 Cs1B Cs2 N8 -14(2) 1_645 2_566
O1 Cs1B Cs2 N8 61(2) 1_655 2_566
O6 Cs1B Cs2 N8 175.7(7) . 2_566
V1 Cs1B Cs2 N8 50.6(16) 1_655 2_566
C24 Cs1B Cs2 N8 109.6(12) 1_655 2_566
C28 Cs1B Cs2 N8 -36.6(15) 1_645 2_566
V2 Cs1B Cs2 N8 178.1(7) . 2_566
O2WA Cs1B Cs2 O2 -94.4(8) . 1_655
O5 Cs1B Cs2 O2 140.5(14) . 1_655
O2WB Cs1B Cs2 O2 -76.7(6) . 1_655
N8 Cs1B Cs2 O2 -52.0(4) 1_645 1_655
O1 Cs1B Cs2 O2 22.8(3) 1_655 1_655
O6 Cs1B Cs2 O2 138.0(10) . 1_655
V1 Cs1B Cs2 O2 12.92(9) 1_655 1_655
C24 Cs1B Cs2 O2 71.9(5) 1_655 1_655
C28 Cs1B Cs2 O2 -74.3(5) 1_645 1_655
V2 Cs1B Cs2 O2 140.4(11) . 1_655
O2 Cs1B Cs2 O2WA 94.4(7) 1_655 .
O5 Cs1B Cs2 O2WA -125.1(8) . .
O2WB Cs1B Cs2 O2WA 17.7(3) . .
N8 Cs1B Cs2 O2WA 42.4(10) 1_645 .
O1 Cs1B Cs2 O2WA 117.2(11) 1_655 .
O6 Cs1B Cs2 O2WA -127.6(4) . .
V1 Cs1B Cs2 O2WA 107.3(7) 1_655 .
C24 Cs1B Cs2 O2WA 166.3(4) 1_655 .
C28 Cs1B Cs2 O2WA 20.1(4) 1_645 .
V2 Cs1B Cs2 O2WA -125.2(4) . .
O2WA Cs1B Cs2 V1 6.7(3) . 2_556
O2 Cs1B Cs2 V1 101.1(6) 1_655 2_556
O5 Cs1B Cs2 V1 -118.4(8) . 2_556
O2WB Cs1B Cs2 V1 24.4(3) . 2_556
N8 Cs1B Cs2 V1 49.1(10) 1_645 2_556
O1 Cs1B Cs2 V1 123.9(10) 1_655 2_556
O6 Cs1B Cs2 V1 -120.9(4) . 2_556
V1 Cs1B Cs2 V1 114.0(6) 1_655 2_556
C24 Cs1B Cs2 V1 173.03(17) 1_655 2_556
C28 Cs1B Cs2 V1 26.8(5) 1_645 2_556
V2 Cs1B Cs2 V1 -118.5(4) . 2_556
O1 V1 O2 Cs1B 3.8(4) . 1_455
O3 V1 O2 Cs1B -104.7(3) . 1_455
O4 V1 O2 Cs1B 111.4(3) . 1_455
N1 V1 O2 Cs1B 176.0(4) . 1_455
O1 V1 O2 Cs2 -95.78(18) . 2_556
O3 V1 O2 Cs2 155.66(15) . 2_556
O4 V1 O2 Cs2 11.74(17) . 2_556
N1 V1 O2 Cs2 76.4(3) . 2_556
O1 V1 O2 Cs1A 4.39(17) . 1_455
O3 V1 O2 Cs1A -104.17(13) . 1_455
O4 V1 O2 Cs1A 111.91(13) . 1_455
N1 V1 O2 Cs1A 176.5(2) . 1_455
O1 V1 O2 Cs2 87.9(4) . 1_455
O3 V1 O2 Cs2 -20.7(4) . 1_455
O4 V1 O2 Cs2 -164.6(3) . 1_455
N1 V1 O2 Cs2 -100.0(4) . 1_455
C7 N1 N2 C9 -176.8(4) . .
V1 N1 N2 C9 -1.0(5) . .
O2 Cs1B O2WA O2WB 59.1(10) 1_655 .
O5 Cs1B O2WA O2WB -159.3(14) . .
N8 Cs1B O2WA O2WB -24.1(8) 1_645 .
O1 Cs1B O2WA O2WB 26.0(18) 1_655 .
O6 Cs1B O2WA O2WB 157.2(7) . .
V1 Cs1B O2WA O2WB 44.6(12) 1_655 .
C24 Cs1B O2WA O2WB 104.2(9) 1_655 .
C28 Cs1B O2WA O2WB -41.2(7) 1_645 .
V2 Cs1B O2WA O2WB 177.6(9) . .
Cs2 Cs1B O2WA O2WB 119.9(6) . .
O2 Cs1B O2WA Cs1A 119(3) 1_655 .
O5 Cs1B O2WA Cs1A -100(4) . .
O2WB Cs1B O2WA Cs1A 59(3) . .
N8 Cs1B O2WA Cs1A 35(3) 1_645 .
O1 Cs1B O2WA Cs1A 86(3) 1_655 .
O6 Cs1B O2WA Cs1A -143(4) . .
V1 Cs1B O2WA Cs1A 104(3) 1_655 .
C24 Cs1B O2WA Cs1A 164(4) 1_655 .
C28 Cs1B O2WA Cs1A 18(3) 1_645 .
V2 Cs1B O2WA Cs1A -123(4) . .
Cs2 Cs1B O2WA Cs1A 179(3) . .
O2 Cs1B O2WA Cs2 29.4(7) 1_655 2_656
O5 Cs1B O2WA Cs2 171.0(14) . 2_656
O2WB Cs1B O2WA Cs2 -29.7(6) . 2_656
N8 Cs1B O2WA Cs2 -53.8(5) 1_645 2_656
O1 Cs1B O2WA Cs2 -3.7(15) 1_655 2_656
O6 Cs1B O2WA Cs2 127.5(5) . 2_656
V1 Cs1B O2WA Cs2 14.9(9) 1_655 2_656
C24 Cs1B O2WA Cs2 74.5(6) 1_655 2_656
C28 Cs1B O2WA Cs2 -70.9(2) 1_645 2_656
V2 Cs1B O2WA Cs2 147.9(8) . 2_656
Cs2 Cs1B O2WA Cs2 90.15(16) . 2_656
O2 Cs1B O2WA Cs2 -60.7(6) 1_655 .
O5 Cs1B O2WA Cs2 80.8(15) . .
O2WB Cs1B O2WA Cs2 -119.9(6) . .
N8 Cs1B O2WA Cs2 -144.0(4) 1_645 .
O1 Cs1B O2WA Cs2 -93.8(14) 1_655 .
O6 Cs1B O2WA Cs2 37.3(6) . .
V1 Cs1B O2WA Cs2 -75.2(8) 1_655 .
C24 Cs1B O2WA Cs2 -15.7(5) 1_655 .
C28 Cs1B O2WA Cs2 -161.1(2) 1_645 .
V2 Cs1B O2WA Cs2 57.8(9) . .
O5 Cs1A O2WA O2WB -166.7(6) . .
O1 Cs1A O2WA O2WB 35.4(6) 1_655 .
N8 Cs1A O2WA O2WB -21.1(6) 1_645 .
O2 Cs1A O2WA O2WB 63.6(6) 1_655 .
O4W Cs1A O2WA O2WB -112.2(6) 2_757 .
O3W Cs1A O2WA O2WB -34.3(6) 2_757 .
O6 Cs1A O2WA O2WB 155.7(6) . .
V1 Cs1A O2WA O2WB 50.5(6) 1_655 .
C24 Cs1A O2WA O2WB 107.5(6) 1_655 .
C28 Cs1A O2WA O2WB -39.6(6) 1_645 .
O5 Cs1A O2WA Cs1B 72(3) . .
O1 Cs1A O2WA Cs1B -86(3) 1_655 .
N8 Cs1A O2WA Cs1B -143(3) 1_645 .
O2 Cs1A O2WA Cs1B -58(3) 1_655 .
O4W Cs1A O2WA Cs1B 126(3) 2_757 .
O3W Cs1A O2WA Cs1B -156(3) 2_757 .
O2WB Cs1A O2WA Cs1B -122(3) . .
O6 Cs1A O2WA Cs1B 34(3) . .
V1 Cs1A O2WA Cs1B -71(3) 1_655 .
C24 Cs1A O2WA Cs1B -14(3) 1_655 .
C28 Cs1A O2WA Cs1B -161(3) 1_645 .
O5 Cs1A O2WA Cs2 163.11(10) . 2_656
O1 Cs1A O2WA Cs2 5.20(15) 1_655 2_656
N8 Cs1A O2WA Cs2 -51.29(12) 1_645 2_656
O2 Cs1A O2WA Cs2 33.41(10) 1_655 2_656
O4W Cs1A O2WA Cs2 -142.39(18) 2_757 2_656
O3W Cs1A O2WA Cs2 -64.55(17) 2_757 2_656
O2WB Cs1A O2WA Cs2 -30.2(6) . 2_656
O6 Cs1A O2WA Cs2 125.47(11) . 2_656
V1 Cs1A O2WA Cs2 20.24(10) 1_655 2_656
C24 Cs1A O2WA Cs2 77.28(14) 1_655 2_656
C28 Cs1A O2WA Cs2 -69.79(13) 1_645 2_656
O5 Cs1A O2WA Cs2 72.25(11) . .
O1 Cs1A O2WA Cs2 -85.67(10) 1_655 .
N8 Cs1A O2WA Cs2 -142.15(12) 1_645 .
O2 Cs1A O2WA Cs2 -57.46(8) 1_655 .
O4W Cs1A O2WA Cs2 126.7(2) 2_757 .
O3W Cs1A O2WA Cs2 -155.42(11) 2_757 .
O2WB Cs1A O2WA Cs2 -121.1(6) . .
O6 Cs1A O2WA Cs2 34.61(7) . .
V1 Cs1A O2WA Cs2 -70.62(6) 1_655 .
C24 Cs1A O2WA Cs2 -13.59(12) 1_655 .
C28 Cs1A O2WA Cs2 -160.65(13) 1_645 .
O2WB Cs2 O2WA O2WB -2.7(10) 2_656 .
O1WB Cs2 O2WA O2WB -94.9(9) . .
O2 Cs2 O2WA O2WB 66.9(7) 2_556 .
O6 Cs2 O2WA O2WB -140.5(7) . .
O4 Cs2 O2WA O2WB 113.4(7) 2_556 .
O1WA Cs2 O2WA O2WB -167.5(14) 1_665 .
O2WA Cs2 O2WA O2WB -1.9(7) 2_656 .
N8 Cs2 O2WA O2WB 53.8(7) 2_566 .
O2 Cs2 O2WA O2WB -43.2(7) 1_655 .
Cs1B Cs2 O2WA O2WB -99.1(8) . .
V1 Cs2 O2WA O2WB 88.5(7) 2_556 .
O2WB Cs2 O2WA Cs1B 96.5(4) 2_656 .
O1WB Cs2 O2WA Cs1B 4.2(6) . .
O2 Cs2 O2WA Cs1B 166.0(3) 2_556 .
O6 Cs2 O2WA Cs1B -41.3(3) . .
O4 Cs2 O2WA Cs1B -147.4(3) 2_556 .
O1WA Cs2 O2WA Cs1B -68.4(14) 1_665 .
O2WA Cs2 O2WA Cs1B 97.3(3) 2_656 .
N8 Cs2 O2WA Cs1B 152.9(3) 2_566 .
O2 Cs2 O2WA Cs1B 56.0(3) 1_655 .
V1 Cs2 O2WA Cs1B -172.4(3) 2_556 .
O2WB Cs2 O2WA Cs1A 96.4(3) 2_656 .
O1WB Cs2 O2WA Cs1A 4.1(5) . .
O2 Cs2 O2WA Cs1A 165.92(15) 2_556 .
O6 Cs2 O2WA Cs1A -41.40(9) . .
O4 Cs2 O2WA Cs1A -147.49(10) 2_556 .
O1WA Cs2 O2WA Cs1A -68.4(13) 1_665 .
O2WA Cs2 O2WA Cs1A 97.21(10) 2_656 .
N8 Cs2 O2WA Cs1A 152.83(9) 2_566 .
O2 Cs2 O2WA Cs1A 55.91(8) 1_655 .
Cs1B Cs2 O2WA Cs1A -0.1(3) . .
V1 Cs2 O2WA Cs1A -172.42(11) 2_556 .
O2WB Cs2 O2WA Cs2 -0.8(3) 2_656 2_656
O1WB Cs2 O2WA Cs2 -93.1(5) . 2_656
O2 Cs2 O2WA Cs2 68.71(12) 2_556 2_656
O6 Cs2 O2WA Cs2 -138.60(11) . 2_656
O4 Cs2 O2WA Cs2 115.30(11) 2_556 2_656
O1WA Cs2 O2WA Cs2 -165.6(13) 1_665 2_656
O2WA Cs2 O2WA Cs2 0.0 2_656 2_656
N8 Cs2 O2WA Cs2 55.62(13) 2_566 2_656
O2 Cs2 O2WA Cs2 -41.30(8) 1_655 2_656
Cs1B Cs2 O2WA Cs2 -97.3(3) . 2_656
V1 Cs2 O2WA Cs2 90.37(9) 2_556 2_656
Cs1B O2WA O2WB Cs2 -77.0(13) . 2_656
Cs1A O2WA O2WB Cs2 -81.7(10) . 2_656
Cs2 O2WA O2WB Cs2 3.7(14) . 2_656
Cs1A O2WA O2WB Cs1B -4.7(9) . .
Cs2 O2WA O2WB Cs1B 77.0(13) 2_656 .
Cs2 O2WA O2WB Cs1B 80.7(10) . .
Cs1B O2WA O2WB Cs1A 4.7(9) . .
Cs2 O2WA O2WB Cs1A 81.7(10) 2_656 .
Cs2 O2WA O2WB Cs1A 85.4(5) . .
O2 Cs1B O2WB O2WA -116.8(14) 1_655 .
O5 Cs1B O2WB O2WA 29(2) . .
N8 Cs1B O2WB O2WA 151.1(10) 1_645 .
O1 Cs1B O2WB O2WA -157.2(17) 1_655 .
O6 Cs1B O2WB O2WA -25.5(7) . .
V1 Cs1B O2WB O2WA -136.6(14) 1_655 .
C24 Cs1B O2WB O2WA -92(2) 1_655 .
C28 Cs1B O2WB O2WA 128.2(9) 1_645 .
V2 Cs1B O2WB O2WA -3.0(11) . .
Cs2 Cs1B O2WB O2WA -54.5(8) . .
O2WA Cs1B O2WB Cs2 134.1(8) . 2_656
O2 Cs1B O2WB Cs2 17.3(11) 1_655 2_656
O5 Cs1B O2WB Cs2 163(2) . 2_656
N8 Cs1B O2WB Cs2 -74.9(6) 1_645 2_656
O1 Cs1B O2WB Cs2 -23.2(15) 1_655 2_656
O6 Cs1B O2WB Cs2 108.5(5) . 2_656
V1 Cs1B O2WB Cs2 -2.5(11) 1_655 2_656
C24 Cs1B O2WB Cs2 41.8(18) 1_655 2_656
C28 Cs1B O2WB Cs2 -97.7(5) 1_645 2_656
V2 Cs1B O2WB Cs2 131.1(11) . 2_656
Cs2 Cs1B O2WB Cs2 79.6(5) . 2_656
O2WA Cs1B O2WB Cs1A -139(3) . .
O2 Cs1B O2WB Cs1A 104(2) 1_655 .
O5 Cs1B O2WB Cs1A -110(4) . .
N8 Cs1B O2WB Cs1A 12(2) 1_645 .
O1 Cs1B O2WB Cs1A 64(2) 1_655 .
O6 Cs1B O2WB Cs1A -164(3) . .
V1 Cs1B O2WB Cs1A 84(2) 1_655 .
C24 Cs1B O2WB Cs1A 129(3) 1_655 .
C28 Cs1B O2WB Cs1A -11(2) 1_645 .
V2 Cs1B O2WB Cs1A -142(3) . .
Cs2 Cs1B O2WB Cs1A 167(2) . .
O5 Cs1A O2WB O2WA 16.5(7) . .
O1 Cs1A O2WB O2WA -147.5(6) 1_655 .
N8 Cs1A O2WB O2WA 154.4(7) 1_645 .
O2 Cs1A O2WB O2WA -109.7(6) 1_655 .
O4W Cs1A O2WB O2WA 100.0(6) 2_757 .
O3W Cs1A O2WB O2WA 152.7(5) 2_757 .
O6 Cs1A O2WB O2WA -25.0(6) . .
V1 Cs1A O2WB O2WA -129.1(6) 1_655 .
C24 Cs1A O2WB O2WA -81.7(6) 1_655 .
C28 Cs1A O2WB O2WA 130.5(7) 1_645 .
O5 Cs1A O2WB Cs2 149.7(2) . 2_656
O1 Cs1A O2WB Cs2 -14.2(4) 1_655 2_656
O2WA Cs1A O2WB Cs2 133.3(8) . 2_656
N8 Cs1A O2WB Cs2 -72.3(4) 1_645 2_656
O2 Cs1A O2WB Cs2 23.5(3) 1_655 2_656
O4W Cs1A O2WB Cs2 -126.8(3) 2_757 2_656
O3W Cs1A O2WB Cs2 -74.0(4) 2_757 2_656
O6 Cs1A O2WB Cs2 108.2(3) . 2_656
V1 Cs1A O2WB Cs2 4.1(3) 1_655 2_656
C24 Cs1A O2WB Cs2 51.5(4) 1_655 2_656
C28 Cs1A O2WB Cs2 -96.2(4) 1_645 2_656
O5 Cs1A O2WB Cs1B 55(2) . .
O1 Cs1A O2WB Cs1B -109(2) 1_655 .
O2WA Cs1A O2WB Cs1B 38(2) . .
N8 Cs1A O2WB Cs1B -167(2) 1_645 .
O2 Cs1A O2WB Cs1B -71(2) 1_655 .
O4W Cs1A O2WB Cs1B 138(2) 2_757 .
O3W Cs1A O2WB Cs1B -169(2) 2_757 .
O6 Cs1A O2WB Cs1B 13(2) . .
V1 Cs1A O2WB Cs1B -91(2) 1_655 .
C24 Cs1A O2WB Cs1B -43(2) 1_655 .
C28 Cs1A O2WB Cs1B 169(2) 1_645 .
C5 C1 O3 V1 -138.2(4) . .
C6 C1 O3 V1 49.0(6) . .
O1 V1 O3 C1 52.0(4) . .
O2 V1 O3 C1 161.9(4) . .
O4 V1 O3 C1 -96.4(4) . .
N1 V1 O3 C1 -49.9(4) . .
O1 Cs3 O3W Cs3 47.72(16) 1_655 2_757
O9 Cs3 O3W Cs3 -131.25(10) 1_645 2_757
N9 Cs3 O3W Cs3 75.20(11) 2_767 2_757
O5W Cs3 O3W Cs3 152.66(12) . 2_757
O12 Cs3 O3W Cs3 -91.30(11) 1_645 2_757
O3W Cs3 O3W Cs3 0.0 2_757 2_757
O4W Cs3 O3W Cs3 -137.41(17) . 2_757
V3 Cs3 O3W Cs3 -118.39(7) 1_645 2_757
V1 Cs3 O3W Cs3 71.43(15) 1_655 2_757
Cs1C Cs3 O3W Cs3 -175.83(9) 1_655 2_757
O1 Cs3 O3W Cs1A 171.85(16) 1_655 2_757
O9 Cs3 O3W Cs1A -7.1(2) 1_645 2_757
N9 Cs3 O3W Cs1A -160.7(2) 2_767 2_757
O5W Cs3 O3W Cs1A -83.2(2) . 2_757
O12 Cs3 O3W Cs1A 32.8(3) 1_645 2_757
O3W Cs3 O3W Cs1A 124.1(2) 2_757 2_757
O4W Cs3 O3W Cs1A -13.29(18) . 2_757
V3 Cs3 O3W Cs1A 5.7(2) 1_645 2_757
V1 Cs3 O3W Cs1A -164.44(11) 1_655 2_757
Cs3 Cs3 O3W Cs1A 124.1(2) 2_757 2_757
Cs1C Cs3 O3W Cs1A -51.7(2) 1_655 2_757
O6 V2 N3 C15 92.0(4) . .
O5 V2 N3 C15 -92.2(5) . .
O7 V2 N3 C15 -6.5(4) . .
O8 V2 N3 C15 -173.2(5) . .
O6 V2 N3 N4 -96.5(3) . .
O5 V2 N3 N4 79.4(4) . .
O7 V2 N3 N4 165.1(3) . .
O8 V2 N3 N4 -1.7(3) . .
O7 C2 C3 C4 -172.4(4) . .
C6 C2 C3 C4 2.5(7) . .
O7 C2 C3 C15 8.6(7) . .
C6 C2 C3 C15 -176.5(4) . .
O1 V1 O4 C9 -98.6(3) . .
O2 V1 O4 C9 152.4(3) . .
O3 V1 O4 C9 49.8(4) . .
N1 V1 O4 C9 2.1(3) . .
O1 V1 O4 Cs2 98.13(15) . 2_556
O2 V1 O4 Cs2 -10.92(15) . 2_556
O3 V1 O4 Cs2 -113.5(2) . 2_556
N1 V1 O4 Cs2 -161.22(16) . 2_556
O1 Cs3 O4W Cs1A 113.2(13) 1_655 2_757
O9 Cs3 O4W Cs1A -162.0(2) 1_645 2_757
O3W Cs3 O4W Cs1A 9.54(12) . 2_757
N9 Cs3 O4W Cs1A 42.8(2) 2_767 2_757
O5W Cs3 O4W Cs1A 98.03(17) . 2_757
O12 Cs3 O4W Cs1A -134.00(16) 1_645 2_757
O3W Cs3 O4W Cs1A -42.0(2) 2_757 2_757
V3 Cs3 O4W Cs1A -150.56(18) 1_645 2_757
V1 Cs3 O4W Cs1A 145.33(10) 1_655 2_757
Cs3 Cs3 O4W Cs1A -19.11(14) 2_757 2_757
Cs1C Cs3 O4W Cs1A 136.1(2) 1_655 2_757
O1 Cs3 O4W Cs1C 52.9(14) 1_655 2_757
O9 Cs3 O4W Cs1C 137.8(2) 1_645 2_757
O3W Cs3 O4W Cs1C -50.69(14) . 2_757
N9 Cs3 O4W Cs1C -17.42(18) 2_767 2_757
O5W Cs3 O4W Cs1C 37.80(13) . 2_757
O12 Cs3 O4W Cs1C 165.77(14) 1_645 2_757
O3W Cs3 O4W Cs1C -102.20(16) 2_757 2_757
V3 Cs3 O4W Cs1C 149.21(16) 1_645 2_757
V1 Cs3 O4W Cs1C 85.1(2) 1_655 2_757
Cs3 Cs3 O4W Cs1C -79.34(13) 2_757 2_757
Cs1C Cs3 O4W Cs1C 75.91(15) 1_655 2_757
O1 Cs3 O4W Cs1C -23.0(14) 1_655 1_655
O9 Cs3 O4W Cs1C 61.91(12) 1_645 1_655
O3W Cs3 O4W Cs1C -126.60(16) . 1_655
N9 Cs3 O4W Cs1C -93.33(12) 2_767 1_655
O5W Cs3 O4W Cs1C -38.11(10) . 1_655
O12 Cs3 O4W Cs1C 89.86(9) 1_645 1_655
O3W Cs3 O4W Cs1C -178.11(9) 2_757 1_655
V3 Cs3 O4W Cs1C 73.30(7) 1_645 1_655
V1 Cs3 O4W Cs1C 9.2(2) 1_655 1_655
Cs3 Cs3 O4W Cs1C -155.25(8) 2_757 1_655
C15 N3 N4 C17 175.1(4) . .
V2 N3 N4 C17 2.1(5) . .
C2 C3 C4 O11 -175.1(4) . .
C15 C3 C4 O11 4.0(7) . .
C2 C3 C4 C5 8.2(7) . .
C15 C3 C4 C5 -172.7(4) . .
O6 V2 O5 Cs1A 1.3(2) . .
O7 V2 O5 Cs1A 104.95(16) . .
O8 V2 O5 Cs1A -101.94(16) . .
N3 V2 O5 Cs1A -174.85(15) . .
O6 V2 O5 Cs1B -3.6(7) . .
O7 V2 O5 Cs1B 100.1(7) . .
O8 V2 O5 Cs1B -106.8(7) . .
N3 V2 O5 Cs1B -179.7(7) . .
O6 V2 O5 Cs1C -62.0(3) . .
O7 V2 O5 Cs1C 41.7(3) . .
O8 V2 O5 Cs1C -165.2(2) . .
N3 V2 O5 Cs1C 121.9(2) . .
O1 Cs1A O5 V2 95.85(19) 1_655 .
O2WA Cs1A O5 V2 -58.7(2) . .
N8 Cs1A O5 V2 -144.4(2) 1_645 .
O2 Cs1A O5 V2 29.7(2) 1_655 .
O4W Cs1A O5 V2 153.9(2) 2_757 .
O3W Cs1A O5 V2 153.17(16) 2_757 .
O2WB Cs1A O5 V2 -64.3(3) . .
O6 Cs1A O5 V2 -0.77(13) . .
V1 Cs1A O5 V2 65.2(2) 1_655 .
C24 Cs1A O5 V2 53.10(18) 1_655 .
C28 Cs1A O5 V2 -128.65(18) 1_645 .
O1 Cs1A O5 Cs1B 126.8(17) 1_655 .
O2WA Cs1A O5 Cs1B -27.7(16) . .
N8 Cs1A O5 Cs1B -113.5(17) 1_645 .
O2 Cs1A O5 Cs1B 60.7(17) 1_655 .
O4W Cs1A O5 Cs1B -175.2(17) 2_757 .
O3W Cs1A O5 Cs1B -175.9(17) 2_757 .
O2WB Cs1A O5 Cs1B -33.3(17) . .
O6 Cs1A O5 Cs1B 30.2(17) . .
V1 Cs1A O5 Cs1B 96.2(17) 1_655 .
C24 Cs1A O5 Cs1B 84.1(17) 1_655 .
C28 Cs1A O5 Cs1B -97.7(17) 1_645 .
O1 Cs1A O5 Cs1C -132.38(13) 1_655 .
O2WA Cs1A O5 Cs1C 73.09(12) . .
N8 Cs1A O5 Cs1C -12.7(2) 1_645 .
O2 Cs1A O5 Cs1C 161.47(13) 1_655 .
O4W Cs1A O5 Cs1C -74.36(13) 2_757 .
O3W Cs1A O5 Cs1C -75.05(9) 2_757 .
O2WB Cs1A O5 Cs1C 67.5(2) . .
O6 Cs1A O5 Cs1C 131.00(12) . .
V1 Cs1A O5 Cs1C -163.03(11) 1_655 .
C24 Cs1A O5 Cs1C -175.12(11) 1_655 .
C28 Cs1A O5 Cs1C 3.13(15) 1_645 .
O2WA Cs1B O5 V2 -65.7(15) . .
O2 Cs1B O5 V2 52(3) 1_655 .
O2WB Cs1B O5 V2 -77(3) . .
N8 Cs1B O5 V2 -165(2) 1_645 .
O1 Cs1B O5 V2 109.2(15) 1_655 .
O6 Cs1B O5 V2 2.2(5) . .
V1 Cs1B O5 V2 84(2) 1_655 .
C24 Cs1B O5 V2 60.0(9) 1_655 .
C28 Cs1B O5 V2 -143.6(19) 1_645 .
Cs2 Cs1B O5 V2 -0.4(8) . .
O2WA Cs1B O5 Cs1A 144(2) . .
O2 Cs1B O5 Cs1A -99(4) 1_655 .
O2WB Cs1B O5 Cs1A 132(3) . .
N8 Cs1B O5 Cs1A 44(2) 1_645 .
O1 Cs1B O5 Cs1A -42(2) 1_655 .
O6 Cs1B O5 Cs1A -148.6(18) . .
V1 Cs1B O5 Cs1A -67(3) 1_655 .
C24 Cs1B O5 Cs1A -90.8(19) 1_655 .
C28 Cs1B O5 Cs1A 66(2) 1_645 .
V2 Cs1B O5 Cs1A -150.8(16) . .
Cs2 Cs1B O5 Cs1A -151(2) . .
O2WA Cs1B O5 Cs1C 70.5(9) . .
O2 Cs1B O5 Cs1C -172(4) 1_655 .
O2WB Cs1B O5 Cs1C 59(2) . .
N8 Cs1B O5 Cs1C -28.9(16) 1_645 .
O1 Cs1B O5 Cs1C -115(2) 1_655 .
O6 Cs1B O5 Cs1C 138.4(11) . .
V1 Cs1B O5 Cs1C -140(3) 1_655 .
C24 Cs1B O5 Cs1C -163.9(16) 1_655 .
C28 Cs1B O5 Cs1C -7.4(13) 1_645 .
V2 Cs1B O5 Cs1C 136.2(7) . .
Cs2 Cs1B O5 Cs1C 135.7(14) . .
O6W Cs1C O5 V2 160.9(2) . .
O5W Cs1C O5 V2 -70.3(3) 1_455 .
O7W Cs1C O5 V2 11.9(3) 1_545 .
O9 Cs1C O5 V2 -60.3(3) 1_545 .
C28 Cs1C O5 V2 85.8(3) 1_645 .
O4W Cs1C O5 V2 173.7(3) 2_757 .
N8 Cs1C O5 V2 94.3(3) 1_645 .
O4W Cs1C O5 V2 -107.0(3) 1_455 .
Cs3 Cs1C O5 V2 -58.6(3) 1_455 .
Cs1C Cs1C O5 V2 -138.9(3) 2_657 .
O6W Cs1C O5 Cs1A 72.14(13) . .
O5W Cs1C O5 Cs1A -159.06(15) 1_455 .
O7W Cs1C O5 Cs1A -76.84(11) 1_545 .
O9 Cs1C O5 Cs1A -149.02(16) 1_545 .
C28 Cs1C O5 Cs1A -3.00(14) 1_645 .
O4W Cs1C O5 Cs1A 84.92(13) 2_757 .
N8 Cs1C O5 Cs1A 5.54(10) 1_645 .
O4W Cs1C O5 Cs1A 164.27(12) 1_455 .
Cs3 Cs1C O5 Cs1A -147.38(8) 1_455 .
Cs1C Cs1C O5 Cs1A 132.32(9) 2_657 .
O6W Cs1C O5 Cs1B 82.9(15) . .
O5W Cs1C O5 Cs1B -148.3(15) 1_455 .
O7W Cs1C O5 Cs1B -66.1(15) 1_545 .
O9 Cs1C O5 Cs1B -138.3(15) 1_545 .
C28 Cs1C O5 Cs1B 7.8(15) 1_645 .
O4W Cs1C O5 Cs1B 95.7(15) 2_757 .
N8 Cs1C O5 Cs1B 16.3(15) 1_645 .
O4W Cs1C O5 Cs1B 175.0(15) 1_455 .
Cs3 Cs1C O5 Cs1B -136.6(15) 1_455 .
Cs1C Cs1C O5 Cs1B 143.1(15) 2_657 .
O1 Cs3 O5W Cs1C -119.37(13) 1_655 1_655
O9 Cs3 O5W Cs1C 12.57(13) 1_645 1_655
O3W Cs3 O5W Cs1C 109.36(15) . 1_655
N9 Cs3 O5W Cs1C -173.97(17) 2_767 1_655
O12 Cs3 O5W Cs1C -9.36(18) 1_645 1_655
O3W Cs3 O5W Cs1C 162.90(14) 2_757 1_655
O4W Cs3 O5W Cs1C 59.56(13) . 1_655
V3 Cs3 O5W Cs1C 1.49(13) 1_645 1_655
V1 Cs3 O5W Cs1C -104.00(12) 1_655 1_655
Cs3 Cs3 O5W Cs1C 129.45(11) 2_757 1_655
O10 V3 N5 C23 83.5(5) . .
O9 V3 N5 C23 -104.0(5) . .
O11 V3 N5 C23 -19.5(4) . .
O12 V3 N5 C23 -174.6(5) . .
O10 V3 N5 N6 -100.0(3) . .
O9 V3 N5 N6 72.5(4) . .
O11 V3 N5 N6 157.0(3) . .
O12 V3 N5 N6 1.9(3) . .
O11 C4 C5 C1 170.3(4) . .
C3 C4 C5 C1 -13.1(7) . .
O11 C4 C5 C23 -7.4(7) . .
C3 C4 C5 C23 169.3(4) . .
O3 C1 C5 C4 -165.7(4) . .
C6 C1 C5 C4 7.1(7) . .
O3 C1 C5 C23 12.0(6) . .
C6 C1 C5 C23 -175.2(4) . .
O5 V2 O6 Cs2 38.3(13) . .
O7 V2 O6 Cs2 -59.4(13) . .
O8 V2 O6 Cs2 136.5(12) . .
N3 V2 O6 Cs2 -144.9(12) . .
O5 V2 O6 Cs1B 3.2(7) . .
O7 V2 O6 Cs1B -94.5(7) . .
O8 V2 O6 Cs1B 101.4(7) . .
N3 V2 O6 Cs1B -180.0(7) . .
O5 V2 O6 Cs1A -0.99(16) . .
O7 V2 O6 Cs1A -98.65(12) . .
O8 V2 O6 Cs1A 97.18(12) . .
N3 V2 O6 Cs1A 175.85(12) . .
O2WB Cs2 O6 V2 -107.4(13) 2_656 .
O1WB Cs2 O6 V2 -170.9(13) . .
O2 Cs2 O6 V2 18.2(13) 2_556 .
O4 Cs2 O6 V2 69.3(13) 2_556 .
O1WA Cs2 O6 V2 170.3(13) 1_665 .
O2WA Cs2 O6 V2 -85.5(12) 2_656 .
N8 Cs2 O6 V2 148.1(12) 2_566 .
O2 Cs2 O6 V2 -65.3(13) 1_655 .
O2WA Cs2 O6 V2 -5.3(12) . .
Cs1B Cs2 O6 V2 -36.2(14) . .
V1 Cs2 O6 V2 44.5(13) 2_556 .
O2WB Cs2 O6 Cs1B -71.1(7) 2_656 .
O1WB Cs2 O6 Cs1B -134.7(7) . .
O2 Cs2 O6 Cs1B 54.4(6) 2_556 .
O4 Cs2 O6 Cs1B 105.5(6) 2_556 .
O1WA Cs2 O6 Cs1B -153.5(7) 1_665 .
O2WA Cs2 O6 Cs1B -49.3(7) 2_656 .
N8 Cs2 O6 Cs1B -175.7(7) 2_566 .
O2 Cs2 O6 Cs1B -29.0(6) 1_655 .
O2WA Cs2 O6 Cs1B 30.9(6) . .
V1 Cs2 O6 Cs1B 80.7(6) 2_556 .
O2WB Cs2 O6 Cs1A -67.6(4) 2_656 .
O1WB Cs2 O6 Cs1A -131.2(2) . .
O2 Cs2 O6 Cs1A 57.98(11) 2_556 .
O4 Cs2 O6 Cs1A 109.04(8) 2_556 .
O1WA Cs2 O6 Cs1A -149.9(2) 1_665 .
O2WA Cs2 O6 Cs1A -45.71(17) 2_656 .
N8 Cs2 O6 Cs1A -172.18(17) 2_566 .
O2 Cs2 O6 Cs1A -25.48(8) 1_655 .
O2WA Cs2 O6 Cs1A 34.48(7) . .
Cs1B Cs2 O6 Cs1A 3.6(6) . .
V1 Cs2 O6 Cs1A 84.28(7) 2_556 .
O2WA Cs1B O6 V2 127.2(8) . .
O2 Cs1B O6 V2 -149.6(14) 1_655 .
O5 Cs1B O6 V2 -2.1(5) . .
O2WB Cs1B O6 V2 135.8(7) . .
N8 Cs1B O6 V2 120(8) 1_645 .
O1 Cs1B O6 V2 -100(2) 1_655 .
V1 Cs1B O6 V2 -126.2(16) 1_655 .
C24 Cs1B O6 V2 -102.2(4) 1_655 .
C28 Cs1B O6 V2 89(5) 1_645 .
Cs2 Cs1B O6 V2 174.4(2) . .
O2WA Cs1B O6 Cs2 -47.2(9) . .
O2 Cs1B O6 Cs2 35.9(14) 1_655 .
O5 Cs1B O6 Cs2 -176.6(5) . .
O2WB Cs1B O6 Cs2 -38.6(7) . .
N8 Cs1B O6 Cs2 -54(8) 1_645 .
O1 Cs1B O6 Cs2 85(2) 1_655 .
V1 Cs1B O6 Cs2 59.4(15) 1_655 .
C24 Cs1B O6 Cs2 83.3(4) 1_655 .
C28 Cs1B O6 Cs2 -86(5) 1_645 .
V2 Cs1B O6 Cs2 -174.4(2) . .
O2WA Cs1B O6 Cs1A 160(2) . .
O2 Cs1B O6 Cs1A -117(2) 1_655 .
O5 Cs1B O6 Cs1A 30.3(17) . .
O2WB Cs1B O6 Cs1A 168(2) . .
N8 Cs1B O6 Cs1A 153(8) 1_645 .
O1 Cs1B O6 Cs1A -68(3) 1_655 .
V1 Cs1B O6 Cs1A -94(2) 1_655 .
C24 Cs1B O6 Cs1A -69.8(17) 1_655 .
C28 Cs1B O6 Cs1A 121(5) 1_645 .
V2 Cs1B O6 Cs1A 32.4(17) . .
Cs2 Cs1B O6 Cs1A -153.2(18) . .
O5 Cs1A O6 V2 0.71(12) . .
O1 Cs1A O6 V2 -113.92(14) 1_655 .
O2WA Cs1A O6 V2 130.74(15) . .
N8 Cs1A O6 V2 137.4(2) 1_645 .
O2 Cs1A O6 V2 -157.52(14) 1_655 .
O4W Cs1A O6 V2 -18.60(15) 2_757 .
O3W Cs1A O6 V2 -38.9(2) 2_757 .
O2WB Cs1A O6 V2 138.3(2) . .
V1 Cs1A O6 V2 -135.89(12) 1_655 .
C24 Cs1A O6 V2 -105.05(18) 1_655 .
C28 Cs1A O6 V2 108.82(19) 1_645 .
O5 Cs1A O6 Cs2 -173.29(14) . .
O1 Cs1A O6 Cs2 72.07(11) 1_655 .
O2WA Cs1A O6 Cs2 -43.27(10) . .
N8 Cs1A O6 Cs2 -36.6(3) 1_645 .
O2 Cs1A O6 Cs2 28.48(8) 1_655 .
O4W Cs1A O6 Cs2 167.40(10) 2_757 .
O3W Cs1A O6 Cs2 147.12(11) 2_757 .
O2WB Cs1A O6 Cs2 -35.74(19) . .
V1 Cs1A O6 Cs2 50.11(7) 1_655 .
C24 Cs1A O6 Cs2 80.95(13) 1_655 .
C28 Cs1A O6 Cs2 -65.18(18) 1_645 .
O5 Cs1A O6 Cs1B -147.2(17) . .
O1 Cs1A O6 Cs1B 98.2(17) 1_655 .
O2WA Cs1A O6 Cs1B -17.2(17) . .
N8 Cs1A O6 Cs1B -10.5(17) 1_645 .
O2 Cs1A O6 Cs1B 54.6(17) 1_655 .
O4W Cs1A O6 Cs1B -166.5(17) 2_757 .
O3W Cs1A O6 Cs1B 173.2(18) 2_757 .
O2WB Cs1A O6 Cs1B -9.6(17) . .
V1 Cs1A O6 Cs1B 76.2(17) 1_655 .
C24 Cs1A O6 Cs1B 107.1(17) 1_655 .
C28 Cs1A O6 Cs1B -39.1(17) 1_645 .
C23 N5 N6 C25 176.5(4) . .
V3 N5 N6 C25 -0.5(5) . .
O3 C1 C6 C2 176.1(4) . .
C5 C1 C6 C2 3.5(7) . .
O3 C1 C6 C7 0.1(7) . .
C5 C1 C6 C7 -172.5(4) . .
O7 C2 C6 C1 166.8(4) . .
C3 C2 C6 C1 -8.4(7) . .
O7 C2 C6 C7 -17.2(7) . .
C3 C2 C6 C7 167.7(4) . .
C3 C2 O7 V2 -44.2(6) . .
C6 C2 O7 V2 140.7(4) . .
O6 V2 O7 C2 -79.9(4) . .
O5 V2 O7 C2 170.6(4) . .
O8 V2 O7 C2 65.2(5) . .
N3 V2 O7 C2 37.0(4) . .
N2 N1 C7 C6 -178.0(4) . .
V1 N1 C7 C6 7.0(6) . .
N2 N1 C7 C8 6.9(6) . .
V1 N1 C7 C8 -168.1(3) . .
C1 C6 C7 N1 -24.3(7) . .
C2 C6 C7 N1 159.8(4) . .
C1 C6 C7 C8 150.7(4) . .
C2 C6 C7 C8 -25.2(7) . .
O6 V2 O8 C17 117.2(4) . .
O5 V2 O8 C17 -133.1(4) . .
O7 V2 O8 C17 -28.0(5) . .
N3 V2 O8 C17 0.9(3) . .
O10 V3 O9 Cs3 97.21(19) . 1_465
O11 V3 O9 Cs3 -155.15(17) . 1_465
O12 V3 O9 Cs3 -9.79(18) . 1_465
N5 V3 O9 Cs3 -75.2(3) . 1_465
O10 V3 O9 Cs1C -26.1(2) . 1_565
O11 V3 O9 Cs1C 81.6(2) . 1_565
O12 V3 O9 Cs1C -133.08(19) . 1_565
N5 V3 O9 Cs1C 161.6(2) . 1_565
N1 N2 C9 O4 2.9(6) . .
N1 N2 C9 C10 -176.1(4) . .
V1 O4 C9 N2 -3.7(6) . .
Cs2 O4 C9 N2 152.6(3) 2_556 .
V1 O4 C9 C10 175.3(3) . .
Cs2 O4 C9 C10 -28.4(6) 2_556 .
N2 C9 C10 C11 -27.2(7) . .
O4 C9 C10 C11 153.7(4) . .
N2 C9 C10 C14 153.7(5) . .
O4 C9 C10 C14 -25.4(7) . .
C5 C4 O11 V3 -37.9(7) . .
C3 C4 O11 V3 145.4(4) . .
O10 V3 O11 C4 -60.2(4) . .
O9 V3 O11 C4 -171.3(4) . .
O12 V3 O11 C4 87.7(5) . .
N5 V3 O11 C4 43.4(4) . .
C14 C10 C11 C12 -2.8(7) . .
C9 C10 C11 C12 178.1(5) . .
O10 V3 O12 C25 99.3(3) . .
O9 V3 O12 C25 -150.5(3) . .
O11 V3 O12 C25 -48.6(5) . .
N5 V3 O12 C25 -2.9(3) . .
O10 V3 O12 Cs3 -101.98(15) . 1_465
O9 V3 O12 Cs3 8.29(16) . 1_465
O11 V3 O12 Cs3 110.1(2) . 1_465
N5 V3 O12 Cs3 155.82(16) . 1_465
C10 C11 C12 C13 1.3(7) . .
C14 N7 C13 C12 0.0(8) . .
C11 C12 C13 N7 0.1(8) . .
C13 N7 C14 C10 -1.6(8) . .
C11 C10 C14 N7 3.0(8) . .
C9 C10 C14 N7 -177.9(5) . .
N4 N3 C15 C3 173.8(4) . .
V2 N3 C15 C3 -14.5(7) . .
N4 N3 C15 C16 -7.8(6) . .
V2 N3 C15 C16 163.8(3) . .
C2 C3 C15 N3 17.2(7) . .
C4 C3 C15 N3 -161.8(4) . .
C2 C3 C15 C16 -161.1(4) . .
C4 C3 C15 C16 19.8(7) . .
V2 O8 C17 N4 0.1(6) . .
V2 O8 C17 C18 179.0(3) . .
N3 N4 C17 O8 -1.5(6) . .
N3 N4 C17 C18 179.6(4) . .
O8 C17 C18 C22 -166.5(5) . .
N4 C17 C18 C22 12.5(7) . .
O8 C17 C18 C19 12.4(7) . .
N4 C17 C18 C19 -168.6(5) . .
C22 C18 C19 C20 -2.0(7) . .
C17 C18 C19 C20 179.1(5) . .
C18 C19 C20 C21 0.7(8) . .
C22 N9 C21 C20 -0.9(8) . .
Cs3 N9 C21 C20 -159.5(4) 2_767 .
C19 C20 C21 N9 0.8(8) . .
C21 N9 C22 C18 -0.5(8) . .
Cs3 N9 C22 C18 155.6(4) 2_767 .
C19 C18 C22 N9 1.9(8) . .
C17 C18 C22 N9 -179.2(5) . .
N6 N5 C23 C5 177.2(4) . .
V3 N5 C23 C5 -6.3(7) . .
N6 N5 C23 C24 -7.5(7) . .
V3 N5 C23 C24 169.0(4) . .
C4 C5 C23 N5 26.0(7) . .
C1 C5 C23 N5 -151.6(5) . .
C4 C5 C23 C24 -149.2(5) . .
C1 C5 C23 C24 33.1(7) . .
N5 C23 C24 Cs1A -169.9(8) . 1_455
C5 C23 C24 Cs1A 5.3(14) . 1_455
N5 C23 C24 Cs1B 167(4) . 1_455
C5 C23 C24 Cs1B -18(4) . 1_455
N5 N6 C25 O12 -2.2(7) . .
N5 N6 C25 C26 177.2(4) . .
V3 O12 C25 N6 4.1(6) . .
Cs3 O12 C25 N6 -143.7(4) 1_465 .
V3 O12 C25 C26 -175.3(3) . .
Cs3 O12 C25 C26 36.9(7) 1_465 .
N6 C25 C26 C27 -167.7(5) . .
O12 C25 C26 C27 11.8(7) . .
N6 C25 C26 C30 9.8(7) . .
O12 C25 C26 C30 -170.7(5) . .
C28 N8 C27 C26 2.1(8) . .
Cs1A N8 C27 C26 152.3(4) 1_465 .
Cs1B N8 C27 C26 161.0(15) 1_465 .
Cs2 N8 C27 C26 -109.7(5) 2_566 .
Cs1C N8 C27 C26 86.7(6) 1_465 .
C30 C26 C27 N8 -1.5(8) . .
C25 C26 C27 N8 176.1(5) . .
C27 N8 C28 C29 0.2(8) . .
Cs1A N8 C28 C29 -151.5(4) 1_465 .
Cs1B N8 C28 C29 -161.4(16) 1_465 .
Cs2 N8 C28 C29 110.5(5) 2_566 .
Cs1C N8 C28 C29 -128.7(6) 1_465 .
C27 N8 C28 Cs1C 128.9(4) . 1_465
Cs1A N8 C28 Cs1C -22.7(3) 1_465 1_465
Cs1B N8 C28 Cs1C -32.7(15) 1_465 1_465
Cs2 N8 C28 Cs1C -120.71(14) 2_566 1_465
C27 N8 C28 Cs1B 161.6(16) . 1_465
Cs1A N8 C28 Cs1B 9.9(15) 1_465 1_465
Cs2 N8 C28 Cs1B -88.1(15) 2_566 1_465
Cs1C N8 C28 Cs1B 32.7(15) 1_465 1_465
C27 N8 C28 Cs1A 151.7(6) . 1_465
Cs1B N8 C28 Cs1A -9.9(15) 1_465 1_465
Cs2 N8 C28 Cs1A -98.0(3) 2_566 1_465
Cs1C N8 C28 Cs1A 22.7(3) 1_465 1_465
N8 C28 C29 C30 -3.1(9) . .
Cs1C C28 C29 C30 -117.7(5) 1_465 .
Cs1B C28 C29 C30 -56.5(17) 1_465 .
Cs1A C28 C29 C30 -58.6(11) 1_465 .
C28 C29 C30 C26 3.7(8) . .
C27 C26 C30 C29 -1.5(7) . .
C25 C26 C30 C29 -179.1(5) . .
