#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:15:01 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178695 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/06/4080605.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_4080605
loop_
_publ_author_name
'Turbervill, Robert S. P.'
'Jupp, Andrew R.'
'McCullough, Phillip S. B.'
'Ergöçmen, Doruk'
'Goicoechea, Jose M.'
_publ_contact_author
;
 Dr. J. M. Goicoechea           
 Chemistry Research Laboratory
 University of Oxford
 Mansfield Road
 Oxford
 OX1 3TA
 UK
;
_publ_section_title
;
 Synthesis and Characterization of Free and Coordinated
 1,2,3-Tripnictolide Anions
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2234
_journal_paper_doi               10.1021/om4001296
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C12 H24 K O6, C8 H6 As3, C4 H8 O'
_chemical_formula_sum            'C24 H38 As3 K O7'
_chemical_formula_weight         702.40
_chemical_name_systematic
; 
 [K(18-crown-6)][As3C2PhH]*THF
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.170(2)
_cell_angle_beta                 96.314(2)
_cell_angle_gamma                106.266(2)
_cell_formula_units_Z            2
_cell_length_a                   8.0614(2)
_cell_length_b                   10.1857(2)
_cell_length_c                   19.1222(4)
_cell_measurement_reflns_used    31517
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.3849
_cell_measurement_theta_min      3.4532
_cell_volume                     1489.31(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_molecular_graphics    'WinGX (Farrugia, 2005)'
_computing_publication_material  'XCIF (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.5035
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0122
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            32636
_diffrn_reflns_theta_full        76.58
_diffrn_reflns_theta_max         76.58
_diffrn_reflns_theta_min         4.55
_exptl_absorpt_coefficient_mu    5.584
_exptl_absorpt_correction_T_max  0.8075
_exptl_absorpt_correction_T_min  0.4331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.861
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         6183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0261
_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)+(0.0375P)²+1.1566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                5971
_reflns_number_total             6183
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            om4001296_si_002.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4080605
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.61053(3) -0.04303(2) 0.233260(13) 0.03527(7) Uani 1 1 d . . .
As2 As 0.87716(3) 0.02750(3) 0.304481(14) 0.03986(7) Uani 1 1 d . . .
As3 As 0.87233(3) 0.24791(2) 0.338422(11) 0.03233(7) Uani 1 1 d . . .
C1 C 0.6531(2) 0.23826(19) 0.28767(9) 0.0244(3) Uani 1 1 d . . .
C2 C 0.5507(2) 0.12065(19) 0.24704(10) 0.0276(4) Uani 1 1 d . . .
H2 H 0.4409 0.1227 0.2242 0.033 Uiso 1 1 calc R . .
C3 C 0.5935(2) 0.36347(18) 0.29433(9) 0.0246(3) Uani 1 1 d . . .
C4 C 0.4234(3) 0.3563(2) 0.30695(10) 0.0300(4) Uani 1 1 d . . .
H4 H 0.3448 0.2699 0.3124 0.036 Uiso 1 1 calc R . .
C5 C 0.3681(3) 0.4738(2) 0.31168(12) 0.0389(5) Uani 1 1 d . . .
H5 H 0.2524 0.4670 0.3205 0.047 Uiso 1 1 calc R . .
C6 C 0.4810(3) 0.6011(2) 0.30365(12) 0.0404(5) Uani 1 1 d . . .
H6 H 0.4422 0.6811 0.3059 0.048 Uiso 1 1 calc R . .
C7 C 0.6500(3) 0.6103(2) 0.29239(11) 0.0365(4) Uani 1 1 d . . .
H7 H 0.7285 0.6973 0.2877 0.044 Uiso 1 1 calc R . .
C8 C 0.7059(3) 0.4932(2) 0.28784(10) 0.0295(4) Uani 1 1 d . . .
H8 H 0.8227 0.5013 0.2802 0.035 Uiso 1 1 calc R . .
K1 K 1.0000 0.0000 0.5000 0.03143(13) Uani 1 2 d S . .
O11 O 1.29026(17) 0.18353(14) 0.45572(7) 0.0303(3) Uani 1 1 d . . .
O12 O 1.23469(17) -0.10352(14) 0.43456(7) 0.0299(3) Uani 1 1 d . . .
O13 O 0.90789(18) -0.27732(13) 0.45285(8) 0.0321(3) Uani 1 1 d . . .
C101 C 1.4240(2) 0.1232(2) 0.44017(11) 0.0354(4) Uani 1 1 d . . .
H10A H 1.4870 0.1072 0.4847 0.042 Uiso 1 1 calc R . .
H10B H 1.5089 0.1863 0.4152 0.042 Uiso 1 1 calc R . .
C102 C 1.3434(3) -0.0096(2) 0.39496(11) 0.0370(5) Uani 1 1 d . . .
H10C H 1.2731 0.0053 0.3521 0.044 Uiso 1 1 calc R . .
H10D H 1.4355 -0.0478 0.3799 0.044 Uiso 1 1 calc R . .
C103 C 1.1603(3) -0.2353(2) 0.39602(12) 0.0411(5) Uani 1 1 d . . .
H10E H 1.2538 -0.2738 0.3828 0.049 Uiso 1 1 calc R . .
H10F H 1.0880 -0.2275 0.3521 0.049 Uiso 1 1 calc R . .
C104 C 1.0501(3) -0.3283(2) 0.44074(13) 0.0392(5) Uani 1 1 d . . .
H10G H 1.0065 -0.4230 0.4163 0.047 Uiso 1 1 calc R . .
H10H H 1.1198 -0.3307 0.4864 0.047 Uiso 1 1 calc R . .
C105 C 0.7832(3) -0.3694(2) 0.48700(13) 0.0405(5) Uani 1 1 d . . .
H10I H 0.8392 -0.3860 0.5329 0.049 Uiso 1 1 calc R . .
H10J H 0.7352 -0.4587 0.4572 0.049 Uiso 1 1 calc R . .
C106 C 1.3596(3) 0.3069(2) 0.50143(13) 0.0413(5) Uani 1 1 d . . .
H10K H 1.4514 0.3718 0.4802 0.050 Uiso 1 1 calc R . .
H10L H 1.4127 0.2876 0.5473 0.050 Uiso 1 1 calc R . .
K2 K 0.0000 0.5000 0.0000 0.03103(12) Uani 1 2 d S . .
O21 O 0.1874(5) 0.4238(3) 0.11547(16) 0.0355(7) Uani 0.503(3) 1 d P A 1
O22 O -0.1672(4) 0.2736(3) 0.06830(16) 0.0388(8) Uani 0.503(3) 1 d P A 1
O23 O -0.3606(4) 0.3920(3) -0.02507(15) 0.0370(8) Uani 0.503(3) 1 d P A 1
C201 C 0.3646(7) 0.4448(6) 0.1078(3) 0.0412(11) Uani 0.503(3) 1 d P . 1
H20A H 0.3748 0.3788 0.0690 0.049 Uiso 0.503(3) 1 calc PR A 1
H20B H 0.4282 0.4283 0.1520 0.049 Uiso 0.503(3) 1 calc PR A 1
C202 C 0.1166(6) 0.3586(7) 0.1597(3) 0.0402(11) Uani 0.503(3) 1 d P A 1
H20C H 0.1229 0.4234 0.2018 0.048 Uiso 0.503(3) 1 calc PR A 1
H20D H 0.1836 0.2949 0.1742 0.048 Uiso 0.503(3) 1 calc PR A 1
C203 C -0.0801(8) 0.2722(5) 0.1372(3) 0.0416(11) Uani 0.503(3) 1 d P A 1
H20E H -0.0879 0.1751 0.1434 0.050 Uiso 0.503(3) 1 calc PR A 1
H20F H -0.1484 0.3025 0.1717 0.050 Uiso 0.503(3) 1 calc PR A 1
C204 C -0.3267(17) 0.2127(9) 0.0647(7) 0.048(2) Uani 0.503(3) 1 d P A 1
H20G H -0.3713 0.2385 0.1083 0.057 Uiso 0.503(3) 1 calc PR A 1
H20H H -0.3466 0.1118 0.0596 0.057 Uiso 0.503(3) 1 calc PR A 1
C205 C -0.4290(7) 0.2592(6) -0.0055(4) 0.0459(12) Uani 0.503(3) 1 d P A 1
H20I H -0.4342 0.1926 -0.0467 0.055 Uiso 0.503(3) 1 calc PR A 1
H20J H -0.5506 0.2492 0.0030 0.055 Uiso 0.503(3) 1 calc PR A 1
C206 C -0.442(3) 0.414(3) -0.0918(13) 0.044(4) Uani 0.503(3) 1 d P . 1
H20K H -0.5688 0.3977 -0.0904 0.052 Uiso 0.503(3) 1 calc PR A 1
H20L H -0.4276 0.3480 -0.1296 0.052 Uiso 0.503(3) 1 calc PR A 1
O1A O 0.2866(4) 0.5365(3) 0.10109(15) 0.0359(8) Uani 0.497(3) 1 d P . 2
O2A O -0.0195(4) 0.3175(4) 0.10215(16) 0.0376(8) Uani 0.497(3) 1 d P A 2
O3A O -0.3290(4) 0.3221(3) 0.02017(16) 0.0350(8) Uani 0.497(3) 1 d P A 2
C1A C 0.2855(8) 0.4129(5) 0.1311(3) 0.0388(10) Uani 0.497(3) 1 d P A 2
H1A1 H 0.3404 0.4399 0.1809 0.047 Uiso 0.497(3) 1 calc PR A 2
H1A2 H 0.3647 0.3725 0.1067 0.047 Uiso 0.497(3) 1 calc PR A 2
C2A C 0.1080(7) 0.2889(6) 0.1321(3) 0.0409(11) Uani 0.497(3) 1 d P A 2
H2A1 H 0.1186 0.2030 0.1078 0.049 Uiso 0.497(3) 1 calc PR A 2
H2A2 H 0.0910 0.2734 0.1816 0.049 Uiso 0.497(3) 1 calc PR A 2
C3A C -0.1852(8) 0.2720(5) 0.1259(2) 0.0391(10) Uani 0.497(3) 1 d P A 2
H3A1 H -0.1914 0.3389 0.1651 0.047 Uiso 0.497(3) 1 calc PR A 2
H3A2 H -0.1963 0.1826 0.1450 0.047 Uiso 0.497(3) 1 calc PR A 2
C4A C -0.3426(15) 0.2551(11) 0.0665(7) 0.049(2) Uani 0.497(3) 1 d P A 2
H4A1 H -0.3794 0.1579 0.0456 0.059 Uiso 0.497(3) 1 calc PR A 2
H4A2 H -0.4402 0.2696 0.0902 0.059 Uiso 0.497(3) 1 calc PR A 2
C5A C -0.4407(6) 0.2744(5) -0.0451(3) 0.0396(11) Uani 0.497(3) 1 d P A 2
H5A1 H -0.5578 0.2210 -0.0360 0.048 Uiso 0.497(3) 1 calc PR A 2
H5A2 H -0.3933 0.2132 -0.0745 0.048 Uiso 0.497(3) 1 calc PR A 2
C6A C -0.454(3) 0.394(3) -0.0835(13) 0.036(3) Uani 0.497(3) 1 d P . 2
H6A1 H -0.5391 0.3614 -0.1271 0.043 Uiso 0.497(3) 1 calc PR A 2
H6A2 H -0.4963 0.4574 -0.0532 0.043 Uiso 0.497(3) 1 calc PR A 2
O1S O -0.0804(3) 0.7168(2) 0.07466(10) 0.0569(5) Uani 1 1 d . A .
C1S C -0.0568(5) 0.7080(4) 0.14836(17) 0.0756(9) Uani 1 1 d . . .
H1S1 H -0.0482 0.6158 0.1579 0.091 Uiso 1 1 calc R A .
H1S2 H -0.1559 0.7248 0.1701 0.091 Uiso 1 1 calc R . .
C2S C 0.1062(5) 0.8144(6) 0.1770(2) 0.1027(16) Uani 1 1 d . A .
H2S1 H 0.2076 0.7777 0.1765 0.123 Uiso 1 1 calc R . .
H2S2 H 0.1022 0.8506 0.2260 0.123 Uiso 1 1 calc R . .
C3S C 0.1160(5) 0.9223(4) 0.1287(3) 0.0955(15) Uani 1 1 d . . .
H3S1 H 0.2317 0.9495 0.1122 0.115 Uiso 1 1 calc R A .
H3S2 H 0.0955 1.0047 0.1527 0.115 Uiso 1 1 calc R . .
C4S C -0.0263(5) 0.8581(3) 0.0672(2) 0.0709(8) Uani 1 1 d . A .
H4S1 H -0.1248 0.8979 0.0689 0.085 Uiso 1 1 calc R . .
H4S2 H 0.0194 0.8738 0.0216 0.085 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
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
C2 As1 As2 97.39(6) . .
As3 As2 As1 97.182(11) . .
As3 As2 K1 86.856(9) . .
As1 As2 K1 131.085(11) . .
C1 As3 As2 98.08(6) . .
C2 C1 C3 120.72(16) . .
C2 C1 As3 122.16(14) . .
C3 C1 As3 117.12(13) . .
C1 C2 As1 125.17(14) . .
C1 C2 H2 117.4 . .
As1 C2 H2 117.4 . .
C8 C3 C4 117.63(17) . .
C8 C3 C1 120.91(16) . .
C4 C3 C1 121.46(16) . .
C5 C4 C3 120.95(18) . .
C5 C4 H4 119.5 . .
C3 C4 H4 119.5 . .
C4 C5 C6 120.4(2) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C7 C6 C5 119.4(2) . .
C7 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C6 C7 C8 120.38(19) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C7 C8 C3 121.25(18) . .
C7 C8 H8 119.4 . .
C3 C8 H8 119.4 . .
O13 K1 O13 180.0 2_756 .
O13 K1 O12 60.86(4) 2_756 2_756
O13 K1 O12 119.14(4) . 2_756
O13 K1 O12 119.14(4) 2_756 .
O13 K1 O12 60.86(4) . .
O12 K1 O12 180.00(5) 2_756 .
O13 K1 O11 120.13(4) 2_756 2_756
O13 K1 O11 59.87(4) . 2_756
O12 K1 O11 60.69(4) 2_756 2_756
O12 K1 O11 119.31(4) . 2_756
O13 K1 O11 59.87(4) 2_756 .
O13 K1 O11 120.13(4) . .
O12 K1 O11 119.31(4) 2_756 .
O12 K1 O11 60.69(4) . .
O11 K1 O11 180.00(5) 2_756 .
O13 K1 As2 82.17(3) 2_756 2_756
O13 K1 As2 97.83(3) . 2_756
O12 K1 As2 76.61(3) 2_756 2_756
O12 K1 As2 103.39(3) . 2_756
O11 K1 As2 73.17(3) 2_756 2_756
O11 K1 As2 106.83(3) . 2_756
O13 K1 As2 97.83(3) 2_756 .
O13 K1 As2 82.17(3) . .
O12 K1 As2 103.39(3) 2_756 .
O12 K1 As2 76.61(3) . .
O11 K1 As2 106.83(3) 2_756 .
O11 K1 As2 73.17(3) . .
As2 K1 As2 180.0 2_756 .
C106 O11 C101 111.26(16) . .
C106 O11 K1 113.55(11) . .
C101 O11 K1 114.15(11) . .
C103 O12 C102 112.16(16) . .
C103 O12 K1 114.43(11) . .
C102 O12 K1 114.68(11) . .
C104 O13 C105 112.13(16) . .
C104 O13 K1 114.66(11) . .
C105 O13 K1 117.96(12) . .
O11 C101 C102 109.13(16) . .
O11 C101 H10A 109.9 . .
C102 C101 H10A 109.9 . .
O11 C101 H10B 109.9 . .
C102 C101 H10B 109.9 . .
H10A C101 H10B 108.3 . .
O12 C102 C101 108.91(16) . .
O12 C102 H10C 109.9 . .
C101 C102 H10C 109.9 . .
O12 C102 H10D 109.9 . .
C101 C102 H10D 109.9 . .
H10C C102 H10D 108.3 . .
O12 C103 C104 109.25(17) . .
O12 C103 H10E 109.8 . .
C104 C103 H10E 109.8 . .
O12 C103 H10F 109.8 . .
C104 C103 H10F 109.8 . .
H10E C103 H10F 108.3 . .
O13 C104 C103 108.24(17) . .
O13 C104 H10G 110.1 . .
C103 C104 H10G 110.1 . .
O13 C104 H10H 110.1 . .
C103 C104 H10H 110.1 . .
H10G C104 H10H 108.4 . .
O13 C105 C106 108.49(17) . 2_756
O13 C105 H10I 110.0 . .
C106 C105 H10I 110.0 2_756 .
O13 C105 H10J 110.0 . .
C106 C105 H10J 110.0 2_756 .
H10I C105 H10J 108.4 . .
O11 C106 C105 109.18(17) . 2_756
O11 C106 H10K 109.8 . .
C105 C106 H10K 109.8 2_756 .
O11 C106 H10L 109.8 . .
C105 C106 H10L 109.8 2_756 .
H10K C106 H10L 108.3 . .
O1A K2 O1A 180.0 . 2_565
O1A K2 O23 142.95(8) . .
O1A K2 O23 37.05(8) 2_565 .
O1A K2 O23 37.05(8) . 2_565
O1A K2 O23 142.95(8) 2_565 2_565
O23 K2 O23 180.0 . 2_565
O1A K2 O2A 61.33(9) . .
O1A K2 O2A 118.67(9) 2_565 .
O23 K2 O2A 84.72(9) . .
O23 K2 O2A 95.28(9) 2_565 .
O1A K2 O2A 118.67(9) . 2_565
O1A K2 O2A 61.33(9) 2_565 2_565
O23 K2 O2A 95.28(9) . 2_565
O23 K2 O2A 84.72(9) 2_565 2_565
O2A K2 O2A 180.00(12) . 2_565
O1A K2 O1S 88.91(8) . .
O1A K2 O1S 91.09(8) 2_565 .
O23 K2 O1S 82.77(8) . .
O23 K2 O1S 97.23(8) 2_565 .
O2A K2 O1S 100.42(8) . .
O2A K2 O1S 79.58(8) 2_565 .
O1A K2 O1S 91.09(8) . 2_565
O1A K2 O1S 88.91(8) 2_565 2_565
O23 K2 O1S 97.23(8) . 2_565
O23 K2 O1S 82.77(8) 2_565 2_565
O2A K2 O1S 79.58(8) . 2_565
O2A K2 O1S 100.42(8) 2_565 2_565
O1S K2 O1S 180.00(7) . 2_565
O1A K2 O22 86.83(9) . .
O1A K2 O22 93.17(9) 2_565 .
O23 K2 O22 60.03(9) . .
O23 K2 O22 119.97(9) 2_565 .
O2A K2 O22 25.51(9) . .
O2A K2 O22 154.49(9) 2_565 .
O1S K2 O22 101.72(8) . .
O1S K2 O22 78.28(8) 2_565 .
O1A K2 O22 93.17(9) . 2_565
O1A K2 O22 86.83(9) 2_565 2_565
O23 K2 O22 119.97(9) . 2_565
O23 K2 O22 60.03(9) 2_565 2_565
O2A K2 O22 154.49(9) . 2_565
O2A K2 O22 25.51(9) 2_565 2_565
O1S K2 O22 78.28(8) . 2_565
O1S K2 O22 101.72(8) 2_565 2_565
O22 K2 O22 180.00(10) . 2_565
O1A K2 O21 26.28(9) . .
O1A K2 O21 153.72(9) 2_565 .
O23 K2 O21 119.29(9) . .
O23 K2 O21 60.71(9) 2_565 .
O2A K2 O21 35.25(9) . .
O2A K2 O21 144.75(9) 2_565 .
O1S K2 O21 97.05(8) . .
O1S K2 O21 82.95(8) 2_565 .
O22 K2 O21 60.74(9) . .
O22 K2 O21 119.26(9) 2_565 .
O1A K2 O21 153.72(9) . 2_565
O1A K2 O21 26.28(9) 2_565 2_565
O23 K2 O21 60.71(9) . 2_565
O23 K2 O21 119.29(9) 2_565 2_565
O2A K2 O21 144.75(9) . 2_565
O2A K2 O21 35.25(9) 2_565 2_565
O1S K2 O21 82.95(8) . 2_565
O1S K2 O21 97.05(8) 2_565 2_565
O22 K2 O21 119.26(9) . 2_565
O22 K2 O21 60.74(9) 2_565 2_565
O21 K2 O21 180.0 . 2_565
C202 O21 C201 123.7(4) . .
C202 O21 K2 122.6(3) . .
C201 O21 K2 112.5(3) . .
C204 O22 C203 110.2(7) . .
C204 O22 K2 129.2(5) . .
C203 O22 K2 113.1(3) . .
C205 O23 C206 113.8(11) . .
C205 O23 K2 116.0(3) . .
C206 O23 K2 115.6(10) . .
O21 C201 C206 110.1(10) . 2_565
O21 C201 H20A 109.6 . .
C206 C201 H20A 109.6 2_565 .
O21 C201 H20B 109.6 . .
C206 C201 H20B 109.6 2_565 .
H20A C201 H20B 108.1 . .
O21 C202 C203 116.3(4) . .
O21 C202 H20C 108.2 . .
C203 C202 H20C 108.2 . .
O21 C202 H20D 108.2 . .
C203 C202 H20D 108.2 . .
H20C C202 H20D 107.4 . .
O22 C203 C202 120.8(4) . .
O22 C203 H20E 107.1 . .
C202 C203 H20E 107.1 . .
O22 C203 H20F 107.1 . .
C202 C203 H20F 107.1 . .
H20E C203 H20F 106.8 . .
O22 C204 C205 107.6(8) . .
O22 C204 H20G 110.2 . .
C205 C204 H20G 110.2 . .
O22 C204 H20H 110.2 . .
C205 C204 H20H 110.2 . .
H20G C204 H20H 108.5 . .
O23 C205 C204 118.6(6) . .
O23 C205 H20I 107.7 . .
C204 C205 H20I 107.7 . .
O23 C205 H20J 107.7 . .
C204 C205 H20J 107.7 . .
H20I C205 H20J 107.1 . .
O23 C206 C201 110.3(17) . 2_565
O23 C206 H20K 109.6 . .
C201 C206 H20K 109.6 2_565 .
O23 C206 H20L 109.6 . .
C201 C206 H20L 109.6 2_565 .
H20K C206 H20L 108.1 . .
C1A O1A C6A 112.2(10) . 2_565
C1A O1A K2 111.7(3) . .
C6A O1A K2 117.8(10) 2_565 .
C2A O2A C3A 120.4(4) . .
C2A O2A K2 124.1(3) . .
C3A O2A K2 114.9(3) . .
C4A O3A C5A 120.0(7) . .
C4A O3A K2 121.3(6) . .
C5A O3A K2 111.6(3) . .
O1A C1A C2A 122.8(5) . .
O1A C1A H1A1 106.6 . .
C2A C1A H1A1 106.6 . .
O1A C1A H1A2 106.6 . .
C2A C1A H1A2 106.6 . .
H1A1 C1A H1A2 106.6 . .
O2A C2A C1A 110.5(4) . .
O2A C2A H2A1 109.6 . .
C1A C2A H2A1 109.6 . .
O2A C2A H2A2 109.6 . .
C1A C2A H2A2 109.6 . .
H2A1 C2A H2A2 108.1 . .
O2A C3A C4A 113.5(5) . .
O2A C3A H3A1 108.9 . .
C4A C3A H3A1 108.9 . .
O2A C3A H3A2 108.9 . .
C4A C3A H3A2 108.9 . .
H3A1 C3A H3A2 107.7 . .
O3A C4A C3A 121.0(8) . .
O3A C4A H4A1 107.1 . .
C3A C4A H4A1 107.1 . .
O3A C4A H4A2 107.1 . .
C3A C4A H4A2 107.1 . .
H4A1 C4A H4A2 106.8 . .
O3A C5A C6A 109.6(10) . .
O3A C5A H5A1 109.7 . .
C6A C5A H5A1 109.7 . .
O3A C5A H5A2 109.7 . .
C6A C5A H5A2 109.7 . .
H5A1 C5A H5A2 108.2 . .
O1A C6A C5A 109.1(15) 2_565 .
O1A C6A H6A1 109.9 2_565 .
C5A C6A H6A1 109.9 . .
O1A C6A H6A2 109.9 2_565 .
C5A C6A H6A2 109.9 . .
H6A1 C6A H6A2 108.3 . .
C4S O1S C1S 105.4(3) . .
C4S O1S K2 128.91(19) . .
C1S O1S K2 110.8(2) . .
O1S C1S C2S 106.1(3) . .
O1S C1S H1S1 110.5 . .
C2S C1S H1S1 110.5 . .
O1S C1S H1S2 110.5 . .
C2S C1S H1S2 110.5 . .
H1S1 C1S H1S2 108.7 . .
C1S C2S C3S 103.8(3) . .
C1S C2S H2S1 111.0 . .
C3S C2S H2S1 111.0 . .
C1S C2S H2S2 111.0 . .
C3S C2S H2S2 111.0 . .
H2S1 C2S H2S2 109.0 . .
C2S C3S C4S 105.2(3) . .
C2S C3S H3S1 110.7 . .
C4S C3S H3S1 110.7 . .
C2S C3S H3S2 110.7 . .
C4S C3S H3S2 110.7 . .
H3S1 C3S H3S2 108.8 . .
O1S C4S C3S 105.7(3) . .
O1S C4S H4S1 110.6 . .
C3S C4S H4S1 110.6 . .
O1S C4S H4S2 110.6 . .
C3S C4S H4S2 110.6 . .
H4S1 C4S H4S2 108.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1 C2 1.8697(19) .
As1 As2 2.3108(4) .
As2 As3 2.3034(3) .
As2 K1 3.8119(3) .
As3 C1 1.8937(18) .
C1 C2 1.375(3) .
C1 C3 1.485(3) .
C2 H2 0.9500 .
C3 C8 1.400(3) .
C3 C4 1.401(3) .
C4 C5 1.390(3) .
C4 H4 0.9500 .
C5 C6 1.390(3) .
C5 H5 0.9500 .
C6 C7 1.381(3) .
C6 H6 0.9500 .
C7 C8 1.389(3) .
C7 H7 0.9500 .
C8 H8 0.9500 .
K1 O13 2.7660(13) 2_756
K1 O13 2.7660(13) .
K1 O12 2.7755(13) 2_756
K1 O12 2.7755(13) .
K1 O11 2.8111(13) 2_756
K1 O11 2.8111(13) .
K1 As2 3.8119(3) 2_756
O11 C106 1.413(3) .
O11 C101 1.430(2) .
O12 C103 1.419(3) .
O12 C102 1.428(2) .
O13 C104 1.418(3) .
O13 C105 1.422(2) .
C101 C102 1.487(3) .
C101 H10A 0.9900 .
C101 H10B 0.9900 .
C102 H10C 0.9900 .
C102 H10D 0.9900 .
C103 C104 1.494(3) .
C103 H10E 0.9900 .
C103 H10F 0.9900 .
C104 H10G 0.9900 .
C104 H10H 0.9900 .
C105 C106 1.492(3) 2_756
C105 H10I 0.9900 .
C105 H10J 0.9900 .
C106 C105 1.492(3) 2_756
C106 H10K 0.9900 .
C106 H10L 0.9900 .
K2 O1A 2.765(3) .
K2 O1A 2.765(3) 2_565
K2 O23 2.778(3) .
K2 O23 2.778(3) 2_565
K2 O2A 2.780(3) .
K2 O2A 2.780(3) 2_565
K2 O1S 2.808(2) .
K2 O1S 2.808(2) 2_565
K2 O22 2.815(3) .
K2 O22 2.815(3) 2_565
K2 O21 2.817(4) .
K2 O21 2.817(4) 2_565
O21 C202 1.207(5) .
O21 C201 1.410(6) .
O22 C204 1.253(13) .
O22 C203 1.426(6) .
O23 C205 1.405(6) .
O23 C206 1.43(3) .
C201 C206 1.47(3) 2_565
C201 H20A 0.9900 .
C201 H20B 0.9900 .
C202 C203 1.577(8) .
C202 H20C 0.9900 .
C202 H20D 0.9900 .
C203 H20E 0.9900 .
C203 H20F 0.9900 .
C204 C205 1.666(13) .
C204 H20G 0.9900 .
C204 H20H 0.9900 .
C205 H20I 0.9900 .
C205 H20J 0.9900 .
C206 C201 1.47(3) 2_565
C206 H20K 0.9900 .
C206 H20L 0.9900 .
O1A C1A 1.419(6) .
O1A C6A 1.43(2) 2_565
O2A C2A 1.238(6) .
O2A C3A 1.422(6) .
O3A C4A 1.154(10) .
O3A C5A 1.423(6) .
C1A C2A 1.625(8) .
C1A H1A1 0.9900 .
C1A H1A2 0.9900 .
C2A H2A1 0.9900 .
C2A H2A2 0.9900 .
C3A C4A 1.569(14) .
C3A H3A1 0.9900 .
C3A H3A2 0.9900 .
C4A H4A1 0.9900 .
C4A H4A2 0.9900 .
C5A C6A 1.49(3) .
C5A H5A1 0.9900 .
C5A H5A2 0.9900 .
C6A O1A 1.43(2) 2_565
C6A H6A1 0.9900 .
C6A H6A2 0.9900 .
O1S C4S 1.404(4) .
O1S C1S 1.414(4) .
C1S C2S 1.469(6) .
C1S H1S1 0.9900 .
C1S H1S2 0.9900 .
C2S C3S 1.477(7) .
C2S H2S1 0.9900 .
C2S H2S2 0.9900 .
C3S C4S 1.516(5) .
C3S H3S1 0.9900 .
C3S H3S2 0.9900 .
C4S H4S1 0.9900 .
C4S H4S2 0.9900 .
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
C2 As1 As2 As3 -0.63(6) . .
C2 As1 As2 K1 91.46(6) . .
As1 As2 As3 C1 0.06(5) . .
K1 As2 As3 C1 -130.97(5) . .
As2 As3 C1 C2 0.86(15) . .
As2 As3 C1 C3 179.90(12) . .
C3 C1 C2 As1 179.28(12) . .
As3 C1 C2 As1 -1.7(2) . .
As2 As1 C2 C1 1.47(16) . .
C2 C1 C3 C8 -134.21(19) . .
As3 C1 C3 C8 46.7(2) . .
C2 C1 C3 C4 45.5(2) . .
As3 C1 C3 C4 -133.56(15) . .
C8 C3 C4 C5 1.0(3) . .
C1 C3 C4 C5 -178.70(19) . .
C3 C4 C5 C6 0.3(3) . .
C4 C5 C6 C7 -1.3(4) . .
C5 C6 C7 C8 1.2(3) . .
C6 C7 C8 C3 0.1(3) . .
C4 C3 C8 C7 -1.2(3) . .
C1 C3 C8 C7 178.51(18) . .
As3 As2 K1 O13 -15.11(3) . 2_756
As1 As2 K1 O13 -111.90(3) . 2_756
As3 As2 K1 O13 164.89(3) . .
As1 As2 K1 O13 68.10(3) . .
As3 As2 K1 O12 46.69(3) . 2_756
As1 As2 K1 O12 -50.10(3) . 2_756
As3 As2 K1 O12 -133.31(3) . .
As1 As2 K1 O12 129.90(3) . .
As3 As2 K1 O11 109.71(3) . 2_756
As1 As2 K1 O11 12.92(3) . 2_756
As3 As2 K1 O11 -70.29(3) . .
As1 As2 K1 O11 -167.08(3) . .
O13 K1 O11 C106 21.74(13) 2_756 .
O13 K1 O11 C106 -158.26(13) . .
O12 K1 O11 C106 35.44(14) 2_756 .
O12 K1 O11 C106 -144.56(14) . .
As2 K1 O11 C106 -48.38(13) 2_756 .
As2 K1 O11 C106 131.62(13) . .
O13 K1 O11 C101 150.71(13) 2_756 .
O13 K1 O11 C101 -29.29(13) . .
O12 K1 O11 C101 164.41(12) 2_756 .
O12 K1 O11 C101 -15.59(12) . .
As2 K1 O11 C101 80.59(12) 2_756 .
As2 K1 O11 C101 -99.41(12) . .
O13 K1 O12 C103 -163.93(13) 2_756 .
O13 K1 O12 C103 16.07(13) . .
O11 K1 O12 C103 29.64(14) 2_756 .
O11 K1 O12 C103 -150.36(14) . .
As2 K1 O12 C103 107.66(13) 2_756 .
As2 K1 O12 C103 -72.34(13) . .
O13 K1 O12 C102 -32.27(14) 2_756 .
O13 K1 O12 C102 147.73(14) . .
O11 K1 O12 C102 161.30(12) 2_756 .
O11 K1 O12 C102 -18.70(12) . .
As2 K1 O12 C102 -120.68(12) 2_756 .
As2 K1 O12 C102 59.32(12) . .
O12 K1 O13 C104 -161.36(13) 2_756 .
O12 K1 O13 C104 18.64(13) . .
O11 K1 O13 C104 -147.68(14) 2_756 .
O11 K1 O13 C104 32.32(14) . .
As2 K1 O13 C104 -82.37(13) 2_756 .
As2 K1 O13 C104 97.63(13) . .
O12 K1 O13 C105 -25.88(15) 2_756 .
O12 K1 O13 C105 154.12(15) . .
O11 K1 O13 C105 -12.19(13) 2_756 .
O11 K1 O13 C105 167.81(13) . .
As2 K1 O13 C105 53.12(14) 2_756 .
As2 K1 O13 C105 -126.88(14) . .
C106 O11 C101 C102 177.19(16) . .
K1 O11 C101 C102 47.07(17) . .
C103 O12 C102 C101 -176.87(16) . .
K1 O12 C102 C101 50.39(18) . .
O11 C101 C102 O12 -65.2(2) . .
C102 O12 C103 C104 179.43(17) . .
K1 O12 C103 C104 -47.7(2) . .
C105 O13 C104 C103 172.11(17) . .
K1 O13 C104 C103 -49.84(19) . .
O12 C103 C104 O13 65.1(2) . .
C104 O13 C105 C106 179.15(18) . 2_756
K1 O13 C105 C106 42.6(2) . 2_756
C101 O11 C106 C105 177.08(16) . 2_756
K1 O11 C106 C105 -52.49(19) . 2_756
O1A K2 O21 C202 149.6(5) . .
O1A K2 O21 C202 -30.4(5) 2_565 .
O23 K2 O21 C202 -8.9(5) . .
O23 K2 O21 C202 171.1(5) 2_565 .
O2A K2 O21 C202 -21.4(4) . .
O2A K2 O21 C202 158.6(4) 2_565 .
O1S K2 O21 C202 76.7(5) . .
O1S K2 O21 C202 -103.3(5) 2_565 .
O22 K2 O21 C202 -22.8(4) . .
O22 K2 O21 C202 157.2(4) 2_565 .
O1A K2 O21 C201 -42.5(3) . .
O1A K2 O21 C201 137.5(3) 2_565 .
O23 K2 O21 C201 159.0(3) . .
O23 K2 O21 C201 -21.0(3) 2_565 .
O2A K2 O21 C201 146.5(4) . .
O2A K2 O21 C201 -33.5(4) 2_565 .
O1S K2 O21 C201 -115.4(3) . .
O1S K2 O21 C201 64.6(3) 2_565 .
O22 K2 O21 C201 145.1(3) . .
O22 K2 O21 C201 -34.9(3) 2_565 .
O1A K2 O22 C204 161.4(7) . .
O1A K2 O22 C204 -18.6(7) 2_565 .
O23 K2 O22 C204 -1.3(7) . .
O23 K2 O22 C204 178.7(7) 2_565 .
O2A K2 O22 C204 162.8(8) . .
O2A K2 O22 C204 -17.2(8) 2_565 .
O1S K2 O22 C204 73.2(7) . .
O1S K2 O22 C204 -106.8(7) 2_565 .
O21 K2 O22 C204 164.8(8) . .
O21 K2 O22 C204 -15.2(8) 2_565 .
O1A K2 O22 C203 15.1(3) . .
O1A K2 O22 C203 -164.9(3) 2_565 .
O23 K2 O22 C203 -147.5(3) . .
O23 K2 O22 C203 32.5(3) 2_565 .
O2A K2 O22 C203 16.6(3) . .
O2A K2 O22 C203 -163.4(3) 2_565 .
O1S K2 O22 C203 -73.1(3) . .
O1S K2 O22 C203 106.9(3) 2_565 .
O21 K2 O22 C203 18.5(3) . .
O21 K2 O22 C203 -161.5(3) 2_565 .
O1A K2 O23 C205 -46.7(4) . .
O1A K2 O23 C205 133.3(4) 2_565 .
O2A K2 O23 C205 -23.9(4) . .
O2A K2 O23 C205 156.1(4) 2_565 .
O1S K2 O23 C205 -125.2(4) . .
O1S K2 O23 C205 54.8(4) 2_565 .
O22 K2 O23 C205 -17.1(4) . .
O22 K2 O23 C205 162.9(4) 2_565 .
O21 K2 O23 C205 -31.1(4) . .
O21 K2 O23 C205 148.9(4) 2_565 .
O1A K2 O23 C206 176.1(11) . .
O1A K2 O23 C206 -3.9(11) 2_565 .
O2A K2 O23 C206 -161.1(11) . .
O2A K2 O23 C206 18.9(11) 2_565 .
O1S K2 O23 C206 97.6(11) . .
O1S K2 O23 C206 -82.4(11) 2_565 .
O22 K2 O23 C206 -154.3(11) . .
O22 K2 O23 C206 25.7(11) 2_565 .
O21 K2 O23 C206 -168.3(11) . .
O21 K2 O23 C206 11.7(11) 2_565 .
C202 O21 C201 C206 -140.3(12) . 2_565
K2 O21 C201 C206 51.9(11) . 2_565
C201 O21 C202 C203 -144.9(5) . .
K2 O21 C202 C203 21.7(7) . .
C204 O22 C203 C202 -171.7(6) . .
K2 O22 C203 C202 -18.9(6) . .
O21 C202 C203 O22 -0.6(8) . .
C203 O22 C204 C205 162.5(5) . .
K2 O22 C204 C205 15.5(10) . .
C206 O23 C205 C204 171.0(12) . .
K2 O23 C205 C204 33.1(7) . .
O22 C204 C205 O23 -31.8(10) . .
C205 O23 C206 C201 179.4(10) . 2_565
K2 O23 C206 C201 -42.5(18) . 2_565
O23 K2 O1A C1A 48.6(4) . .
O23 K2 O1A C1A -131.4(4) 2_565 .
O2A K2 O1A C1A 22.6(3) . .
O2A K2 O1A C1A -157.4(3) 2_565 .
O1S K2 O1A C1A 125.1(3) . .
O1S K2 O1A C1A -54.9(3) 2_565 .
O22 K2 O1A C1A 23.3(3) . .
O22 K2 O1A C1A -156.7(3) 2_565 .
O21 K2 O1A C1A 16.7(3) . .
O21 K2 O1A C1A -163.3(3) 2_565 .
O23 K2 O1A C6A -179.3(10) . 2_565
O23 K2 O1A C6A 0.7(10) 2_565 2_565
O2A K2 O1A C6A 154.7(10) . 2_565
O2A K2 O1A C6A -25.3(10) 2_565 2_565
O1S K2 O1A C6A -102.8(10) . 2_565
O1S K2 O1A C6A 77.2(10) 2_565 2_565
O22 K2 O1A C6A 155.4(10) . 2_565
O22 K2 O1A C6A -24.6(10) 2_565 2_565
O21 K2 O1A C6A 148.8(11) . 2_565
O21 K2 O1A C6A -31.2(11) 2_565 2_565
O1A K2 O2A C2A -28.0(4) . .
O1A K2 O2A C2A 152.0(4) 2_565 .
O23 K2 O2A C2A 167.4(4) . .
O23 K2 O2A C2A -12.6(4) 2_565 .
O1S K2 O2A C2A -110.9(4) . .
O1S K2 O2A C2A 69.1(4) 2_565 .
O22 K2 O2A C2A 153.6(5) . .
O22 K2 O2A C2A -26.4(5) 2_565 .
O21 K2 O2A C2A -23.5(4) . .
O21 K2 O2A C2A 156.5(4) 2_565 .
O1A K2 O2A C3A 143.4(3) . .
O1A K2 O2A C3A -36.6(3) 2_565 .
O23 K2 O2A C3A -21.2(3) . .
O23 K2 O2A C3A 158.8(3) 2_565 .
O1S K2 O2A C3A 60.5(3) . .
O1S K2 O2A C3A -119.5(3) 2_565 .
O22 K2 O2A C3A -34.9(3) . .
O22 K2 O2A C3A 145.1(3) 2_565 .
O21 K2 O2A C3A 148.0(4) . .
O21 K2 O2A C3A -32.0(4) 2_565 .
O1A K2 O3A C4A -7.1(8) . .
O1A K2 O3A C4A 172.9(8) 2_565 .
O23 K2 O3A C4A -170.1(8) . .
O23 K2 O3A C4A 9.9(8) 2_565 .
O2A K2 O3A C4A 7.5(7) . .
O2A K2 O3A C4A -172.5(7) 2_565 .
O1S K2 O3A C4A -95.2(7) . .
O1S K2 O3A C4A 84.8(7) 2_565 .
O22 K2 O3A C4A 17.0(7) . .
O22 K2 O3A C4A -163.0(7) 2_565 .
O21 K2 O3A C4A 1.8(7) . .
O21 K2 O3A C4A -178.2(7) 2_565 .
O1A K2 O3A C5A -157.6(3) . .
O1A K2 O3A C5A 22.4(3) 2_565 .
O23 K2 O3A C5A 39.4(3) . .
O23 K2 O3A C5A -140.6(3) 2_565 .
O2A K2 O3A C5A -143.0(3) . .
O2A K2 O3A C5A 37.0(3) 2_565 .
O1S K2 O3A C5A 114.3(3) . .
O1S K2 O3A C5A -65.7(3) 2_565 .
O22 K2 O3A C5A -133.5(4) . .
O22 K2 O3A C5A 46.5(4) 2_565 .
O21 K2 O3A C5A -148.7(3) . .
O21 K2 O3A C5A 31.3(3) 2_565 .
C6A O1A C1A C2A -159.0(11) 2_565 .
K2 O1A C1A C2A -24.2(6) . .
C3A O2A C2A C1A -146.4(4) . .
K2 O2A C2A C1A 24.6(6) . .
O1A C1A C2A O2A 1.6(8) . .
C2A O2A C3A C4A -153.5(6) . .
K2 O2A C3A C4A 34.8(6) . .
C5A O3A C4A C3A 155.7(7) . .
K2 O3A C4A C3A 7.6(13) . .
O2A C3A C4A O3A -29.4(12) . .
C4A O3A C5A C6A 155.6(11) . .
K2 O3A C5A C6A -53.4(10) . .
O3A C5A C6A O1A 63.9(14) . 2_565
O1A K2 O1S C4S 90.2(3) . .
O1A K2 O1S C4S -89.8(3) 2_565 .
O23 K2 O1S C4S -126.0(3) . .
O23 K2 O1S C4S 54.0(3) 2_565 .
O2A K2 O1S C4S 150.8(2) . .
O2A K2 O1S C4S -29.2(2) 2_565 .
O22 K2 O1S C4S 176.8(2) . .
O22 K2 O1S C4S -3.2(2) 2_565 .
O21 K2 O1S C4S 115.3(3) . .
O21 K2 O1S C4S -64.7(3) 2_565 .
O1A K2 O1S C1S -41.9(2) . .
O1A K2 O1S C1S 138.1(2) 2_565 .
O23 K2 O1S C1S 101.9(2) . .
O23 K2 O1S C1S -78.1(2) 2_565 .
O2A K2 O1S C1S 18.6(2) . .
O2A K2 O1S C1S -161.4(2) 2_565 .
O22 K2 O1S C1S 44.6(2) . .
O22 K2 O1S C1S -135.4(2) 2_565 .
O21 K2 O1S C1S -16.9(2) . .
O21 K2 O1S C1S 163.1(2) 2_565 .
C4S O1S C1S C2S -38.7(4) . .
K2 O1S C1S C2S 104.6(3) . .
O1S C1S C2S C3S 29.8(4) . .
C1S C2S C3S C4S -10.4(4) . .
C1S O1S C4S C3S 31.1(4) . .
K2 O1S C4S C3S -103.0(3) . .
C2S C3S C4S O1S -12.3(4) . .
