#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:15:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179404 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/01/4330105.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_4330105
loop_
_publ_author_name
'William W. Brennessel'
'John E. Ellis'
_publ_contact_author_address
;
Department of Chemistry
University of Minnesota
207 Pleasant Street SE
Minneapolis, MN 55455
;
_publ_contact_author_email       ellis@umn.edu
_publ_contact_author_name        'John E. Ellis'
_publ_contact_author_phone       1-612-625-6391
_publ_section_title
;
 Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an
 Atomic Cobalt Anion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9076
_journal_page_last               9094
_journal_paper_doi               10.1021/ic301240u
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C12 H24 K O6, C12 H18 Co'
_chemical_formula_sum            'C24 H42 Co K O6'
_chemical_formula_weight         524.61
_chemical_name_common            05320
_chemical_name_systematic
; 
 ? 
;
_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                90.9520(10)
_cell_angle_beta                 93.5740(10)
_cell_angle_gamma                112.8260(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6632(7)
_cell_length_b                   10.9612(9)
_cell_length_c                   14.9236(12)
_cell_measurement_reflns_used    3182
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.37
_cell_measurement_theta_min      2.56
_cell_volume                     1302.33(18)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15009
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    0.853
_exptl_absorpt_correction_T_max  0.8214
_exptl_absorpt_correction_T_min  0.7719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.210
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         5670
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0376P)²+1.3680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                4613
_reflns_number_total             5670
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301240u_si_001_12.cif
_cod_data_source_block           13
_cod_database_code               4330105
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
Co1 Co 0.22324(4) 0.30283(3) 0.23798(2) 0.02716(10) Uani 1 1 d . . .
C1 C 0.2934(10) 0.4955(8) 0.2077(7) 0.0379(16) Uani 0.494(6) 1 d PD A 1
H1A H 0.4152 0.5511 0.2139 0.045 Uiso 0.494(6) 1 calc PR A 1
H1B H 0.2330 0.5147 0.1548 0.045 Uiso 0.494(6) 1 calc PR A 1
C2 C 0.2112(13) 0.4681(8) 0.2859(6) 0.0480(19) Uani 0.494(6) 1 d PDU A 1
H2A H 0.2689 0.5102 0.3452 0.058 Uiso 0.494(6) 1 calc PR A 1
C3 C 0.0365(13) 0.3644(13) 0.2785(8) 0.052(2) Uani 0.494(6) 1 d PD A 1
H3A H -0.0261 0.3295 0.3328 0.062 Uiso 0.494(6) 1 calc PR A 1
C4 C -0.024(2) 0.309(3) 0.1950(11) 0.0466(17) Uani 0.494(6) 1 d PD A 1
H4A H -0.0250 0.3704 0.1471 0.056 Uiso 0.494(6) 1 calc PR A 1
H4B H -0.1224 0.2242 0.1908 0.056 Uiso 0.494(6) 1 calc PR A 1
C1' C 0.3131(10) 0.4869(8) 0.1671(6) 0.0379(16) Uani 0.506(6) 1 d PD A 5
H1C H 0.4322 0.5232 0.1528 0.045 Uiso 0.506(6) 1 calc PR A 5
H1D H 0.2349 0.4998 0.1205 0.045 Uiso 0.506(6) 1 calc PR A 5
C2' C 0.2798(13) 0.4952(8) 0.2561(6) 0.0480(19) Uani 0.506(6) 1 d PD A 5
H2B H 0.3690 0.5507 0.3025 0.058 Uiso 0.506(6) 1 calc PR A 5
C3' C 0.1075(14) 0.4108(13) 0.2805(7) 0.052(2) Uani 0.506(6) 1 d PDU A 5
H3B H 0.0742 0.4083 0.3436 0.062 Uiso 0.506(6) 1 calc PR A 5
C4' C 0.0033(19) 0.330(3) 0.2136(11) 0.0466(17) Uani 0.506(6) 1 d PDU A 5
H4C H -0.0108 0.3709 0.1568 0.056 Uiso 0.506(6) 1 calc PR A 5
H4D H -0.1008 0.2586 0.2311 0.056 Uiso 0.506(6) 1 calc PR A 5
C5 C 0.2474(3) 0.2116(2) 0.35085(17) 0.0291(5) Uani 1 1 d . A .
H5A H 0.2193 0.2480 0.4066 0.035 Uiso 1 1 calc R . .
C6 C 0.4070(3) 0.2885(2) 0.32099(16) 0.0278(5) Uani 1 1 d . A .
H6A H 0.4727 0.3704 0.3592 0.033 Uiso 1 1 calc R . .
C7 C 0.5135(3) 0.2271(2) 0.27565(16) 0.0260(5) Uani 1 1 d . . .
H7A H 0.4869 0.1366 0.2969 0.031 Uiso 1 1 calc R A .
H7B H 0.6338 0.2805 0.2925 0.031 Uiso 1 1 calc R . .
C8 C 0.4814(3) 0.2205(2) 0.17303(16) 0.0293(5) Uani 1 1 d . A .
H8A H 0.5672 0.2992 0.1482 0.035 Uiso 1 1 calc R . .
H8B H 0.4934 0.1408 0.1479 0.035 Uiso 1 1 calc R . .
C9 C 0.3088(3) 0.2157(3) 0.14400(17) 0.0309(5) Uani 1 1 d . A .
H9A H 0.2967 0.2435 0.0814 0.037 Uiso 1 1 calc R . .
C10 C 0.1588(3) 0.1235(2) 0.17564(17) 0.0302(5) Uani 1 1 d . A .
H10A H 0.0580 0.0962 0.1318 0.036 Uiso 1 1 calc R . .
C11 C 0.1610(3) 0.0175(2) 0.24000(18) 0.0320(6) Uani 1 1 d . . .
H11A H 0.2603 -0.0037 0.2310 0.038 Uiso 1 1 calc R A .
H11B H 0.0593 -0.0641 0.2261 0.038 Uiso 1 1 calc R . .
C12 C 0.1668(3) 0.0620(2) 0.33806(17) 0.0297(5) Uani 1 1 d . A .
H12A H 0.0512 0.0298 0.3577 0.036 Uiso 1 1 calc R . .
H12B H 0.2314 0.0224 0.3760 0.036 Uiso 1 1 calc R . .
K1 K 0.21923(6) 0.73995(5) 0.25582(3) 0.02160(12) Uani 1 1 d . . .
O1 O 0.1254(2) 0.73714(17) 0.07461(11) 0.0311(4) Uani 1 1 d . A .
O2 O 0.46663(19) 0.87216(16) 0.13924(11) 0.0259(3) Uani 1 1 d . A .
O3 O 0.5651(2) 0.84835(16) 0.31847(11) 0.0273(4) Uani 1 1 d . A .
O4 O 0.3163(2) 0.79801(17) 0.44200(11) 0.0301(4) Uani 1 1 d . A .
O5 O -0.0196(2) 0.65451(17) 0.37968(11) 0.0295(4) Uani 1 1 d . A .
O6 O -0.1254(2) 0.67038(16) 0.19798(11) 0.0283(4) Uani 1 1 d . A .
C13 C 0.2476(3) 0.8328(3) 0.02503(17) 0.0380(6) Uani 1 1 d . . .
H13A H 0.2533 0.9227 0.0405 0.046 Uiso 1 1 calc R A .
H13B H 0.2170 0.8143 -0.0403 0.046 Uiso 1 1 calc R . .
C14 C 0.4145(3) 0.8248(3) 0.04876(16) 0.0341(6) Uani 1 1 d . A .
H14A H 0.4042 0.7320 0.0417 0.041 Uiso 1 1 calc R . .
H14B H 0.4984 0.8793 0.0083 0.041 Uiso 1 1 calc R . .
C15 C 0.6285(3) 0.8750(3) 0.16596(17) 0.0301(5) Uani 1 1 d . . .
H15A H 0.7113 0.9290 0.1247 0.036 Uiso 1 1 calc R A .
H15B H 0.6264 0.7841 0.1636 0.036 Uiso 1 1 calc R . .
C16 C 0.6773(3) 0.9336(3) 0.25935(17) 0.0315(5) Uani 1 1 d . A .
H16A H 0.7939 0.9440 0.2773 0.038 Uiso 1 1 calc R . .
H16B H 0.6721 1.0222 0.2625 0.038 Uiso 1 1 calc R . .
C17 C 0.6021(3) 0.8980(3) 0.40922(17) 0.0326(6) Uani 1 1 d . . .
H17A H 0.5934 0.9852 0.4143 0.039 Uiso 1 1 calc R A .
H17B H 0.7180 0.9095 0.4297 0.039 Uiso 1 1 calc R . .
C18 C 0.4803(3) 0.8022(3) 0.46609(17) 0.0350(6) Uani 1 1 d . A .
H18A H 0.4818 0.7130 0.4568 0.042 Uiso 1 1 calc R . .
H18B H 0.5119 0.8300 0.5303 0.042 Uiso 1 1 calc R . .
C19 C 0.1948(3) 0.7145(3) 0.49786(17) 0.0372(6) Uani 1 1 d . . .
H19A H 0.2246 0.7481 0.5612 0.045 Uiso 1 1 calc R A .
H19B H 0.1925 0.6236 0.4938 0.045 Uiso 1 1 calc R . .
C20 C 0.0259(3) 0.7127(3) 0.46777(17) 0.0359(6) Uani 1 1 d . A .
H20A H -0.0583 0.6608 0.5090 0.043 Uiso 1 1 calc R . .
H20B H 0.0297 0.8041 0.4684 0.043 Uiso 1 1 calc R . .
C21 C -0.1883(3) 0.6315(3) 0.34944(18) 0.0345(6) Uani 1 1 d . . .
H21A H -0.2048 0.7159 0.3507 0.041 Uiso 1 1 calc R A .
H21B H -0.2670 0.5703 0.3894 0.041 Uiso 1 1 calc R . .
C22 C -0.2224(3) 0.5723(3) 0.25564(18) 0.0338(6) Uani 1 1 d . A .
H22A H -0.1913 0.4944 0.2527 0.041 Uiso 1 1 calc R . .
H22B H -0.3433 0.5427 0.2366 0.041 Uiso 1 1 calc R . .
C23 C -0.1578(3) 0.6259(3) 0.10580(18) 0.0335(6) Uani 1 1 d . . .
H23A H -0.2755 0.6092 0.0854 0.040 Uiso 1 1 calc R A .
H23B H -0.1408 0.5423 0.0980 0.040 Uiso 1 1 calc R . .
C24 C -0.0404(3) 0.7304(3) 0.05185(17) 0.0342(6) Uani 1 1 d . A .
H24A H -0.0708 0.7081 -0.0131 0.041 Uiso 1 1 calc R . .
H24B H -0.0465 0.8170 0.0657 0.041 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
C3' Co1 C2 25.6(4) . .
C3' Co1 C2' 44.6(3) . .
C2 Co1 C2' 21.37(19) . .
C3' Co1 C6 117.3(4) . .
C2 Co1 C6 101.4(2) . .
C2' Co1 C6 98.6(2) . .
C3' Co1 C5 100.8(3) . .
C2 Co1 C5 102.4(3) . .
C2' Co1 C5 114.3(3) . .
C6 Co1 C5 41.21(10) . .
C3' Co1 C9 155.0(3) . .
C2 Co1 C9 147.3(3) . .
C2' Co1 C9 126.4(3) . .
C6 Co1 C9 85.41(10) . .
C5 Co1 C9 103.45(10) . .
C3' Co1 C10 136.9(4) . .
C2 Co1 C10 161.6(3) . .
C2' Co1 C10 160.4(3) . .
C6 Co1 C10 95.36(10) . .
C5 Co1 C10 85.26(10) . .
C9 Co1 C10 41.13(10) . .
C3' Co1 C1 58.1(3) . .
C2 Co1 C1 40.3(2) . .
C2' Co1 C1 21.2(3) . .
C6 Co1 C1 107.7(3) . .
C5 Co1 C1 133.5(3) . .
C9 Co1 C1 107.1(3) . .
C10 Co1 C1 139.6(3) . .
C3' Co1 C4' 39.5(5) . .
C2 Co1 C4' 61.8(7) . .
C2' Co1 C4' 73.6(7) . .
C6 Co1 C4' 152.3(4) . .
C5 Co1 C4' 117.1(6) . .
C9 Co1 C4' 120.9(4) . .
C10 Co1 C4' 99.7(6) . .
C1 Co1 C4' 74.7(8) . .
C3' Co1 C3 17.3(4) . .
C2 Co1 C3 42.9(3) . .
C2' Co1 C3 61.6(4) . .
C6 Co1 C3 124.6(4) . .
C5 Co1 C3 97.1(3) . .
C9 Co1 C3 149.2(4) . .
C10 Co1 C3 120.1(4) . .
C1 Co1 C3 72.9(4) . .
C4' Co1 C3 28.4(7) . .
C3' Co1 C1' 72.6(3) . .
C2 Co1 C1' 57.5(3) . .
C2' Co1 C1' 38.6(3) . .
C6 Co1 C1' 111.2(2) . .
C5 Co1 C1' 146.0(3) . .
C9 Co1 C1' 90.1(2) . .
C10 Co1 C1' 122.8(2) . .
C1 Co1 C1' 17.4(2) . .
C4' Co1 C1' 79.6(7) . .
C3 Co1 C1' 85.2(4) . .
C3' Co1 C4 48.1(8) . .
C2 Co1 C4 69.9(7) . .
C2' Co1 C4 80.3(8) . .
C6 Co1 C4 158.5(4) . .
C5 Co1 C4 119.7(5) . .
C9 Co1 C4 112.8(5) . .
C10 Co1 C4 91.7(7) . .
C1 Co1 C4 78.9(7) . .
C4' Co1 C4 8.5(11) . .
C3 Co1 C4 36.4(4) . .
C1' Co1 C4 81.4(7) . .
C2 C1 Co1 68.0(4) . .
C2 C1 K1 73.7(5) . .
Co1 C1 K1 140.3(4) . .
C2 C1 H1A 116.9 . .
Co1 C1 H1A 116.9 . .
K1 C1 H1A 89.5 . .
C2 C1 H1B 116.9 . .
Co1 C1 H1B 116.9 . .
K1 C1 H1B 71.7 . .
H1A C1 H1B 113.9 . .
C1 C2 C3 116.7(5) . .
C1 C2 Co1 71.6(5) . .
C3 C2 Co1 72.7(6) . .
C1 C2 K1 80.0(6) . .
C3 C2 K1 112.4(7) . .
Co1 C2 K1 149.6(5) . .
C1 C2 H2A 121.6 . .
C3 C2 H2A 121.6 . .
Co1 C2 H2A 121.6 . .
K1 C2 H2A 82.5 . .
C4 C3 C2 115.7(5) . .
C4 C3 Co1 76.8(14) . .
C2 C3 Co1 64.4(5) . .
C4 C3 H3A 121.9 . .
C2 C3 H3A 121.9 . .
Co1 C3 H3A 121.9 . .
C3 C4 Co1 66.7(11) . .
C3 C4 H4A 117.0 . .
Co1 C4 H4A 117.0 . .
C3 C4 H4B 117.0 . .
Co1 C4 H4B 117.0 . .
H4A C4 H4B 114.1 . .
C2' C1' Co1 62.9(4) . .
C2' C1' K1 56.8(5) . .
Co1 C1' K1 115.6(3) . .
C2' C1' H1C 117.5 . .
Co1 C1' H1C 117.5 . .
K1 C1' H1C 108.8 . .
C2' C1' H1D 117.5 . .
Co1 C1' H1D 117.5 . .
K1 C1' H1D 75.6 . .
H1C C1' H1D 114.5 . .
C1' C2' C3' 116.7(5) . .
C1' C2' Co1 78.5(5) . .
C3' C2' Co1 66.4(5) . .
C1' C2' K1 99.8(6) . .
C3' C2' K1 94.5(6) . .
Co1 C2' K1 156.5(4) . .
C1' C2' H2B 121.6 . .
C3' C2' H2B 121.6 . .
Co1 C2' H2B 121.6 . .
K1 C2' H2B 79.5 . .
C4' C3' C2' 116.0(5) . .
C4' C3' Co1 74.4(15) . .
C2' C3' Co1 69.0(5) . .
C4' C3' K1 116.1(16) . .
C2' C3' K1 59.5(5) . .
Co1 C3' K1 126.7(4) . .
C4' C3' H3B 121.9 . .
C2' C3' H3B 121.9 . .
Co1 C3' H3B 121.9 . .
K1 C3' H3B 97.3 . .
C3' C4' Co1 66.0(11) . .
C3' C4' H4C 117.1 . .
Co1 C4' H4C 117.1 . .
C3' C4' H4D 117.1 . .
Co1 C4' H4D 117.1 . .
H4C C4' H4D 114.1 . .
C6 C5 C12 122.9(2) . .
C6 C5 Co1 69.32(14) . .
C12 C5 Co1 112.19(17) . .
C6 C5 H5A 114.7 . .
C12 C5 H5A 114.7 . .
Co1 C5 H5A 114.7 . .
C5 C6 C7 122.5(2) . .
C5 C6 Co1 69.47(14) . .
C7 C6 Co1 113.45(16) . .
C5 C6 H6A 114.5 . .
C7 C6 H6A 114.5 . .
Co1 C6 H6A 114.5 . .
C6 C7 C8 111.12(19) . .
C6 C7 H7A 109.4 . .
C8 C7 H7A 109.4 . .
C6 C7 H7B 109.4 . .
C8 C7 H7B 109.4 . .
H7A C7 H7B 108.0 . .
C9 C8 C7 112.4(2) . .
C9 C8 H8A 109.1 . .
C7 C8 H8A 109.1 . .
C9 C8 H8B 109.1 . .
C7 C8 H8B 109.1 . .
H8A C8 H8B 107.9 . .
C10 C9 C8 123.5(2) . .
C10 C9 Co1 69.46(14) . .
C8 C9 Co1 111.33(17) . .
C10 C9 H9A 114.7 . .
C8 C9 H9A 114.7 . .
Co1 C9 H9A 114.7 . .
C9 C10 C11 121.5(2) . .
C9 C10 Co1 69.40(14) . .
C11 C10 Co1 112.78(17) . .
C9 C10 H10A 115.0 . .
C11 C10 H10A 115.0 . .
Co1 C10 H10A 115.0 . .
C10 C11 C12 112.1(2) . .
C10 C11 K1 143.90(17) . 1_545
C12 C11 K1 102.97(15) . 1_545
C10 C11 H11A 109.2 . .
C12 C11 H11A 109.2 . .
K1 C11 H11A 48.4 1_545 .
C10 C11 H11B 109.2 . .
C12 C11 H11B 109.2 . .
K1 C11 H11B 64.9 1_545 .
H11A C11 H11B 107.9 . .
C5 C12 C11 111.4(2) . .
C5 C12 H12A 109.3 . .
C11 C12 H12A 109.3 . .
C5 C12 H12B 109.3 . .
C11 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
O5 K1 O1 120.72(5) . .
O5 K1 O2 169.77(5) . .
O1 K1 O2 61.24(5) . .
O5 K1 O4 60.12(5) . .
O1 K1 O4 167.83(5) . .
O2 K1 O4 115.60(5) . .
O5 K1 O3 118.83(5) . .
O1 K1 O3 120.31(5) . .
O2 K1 O3 59.47(5) . .
O4 K1 O3 59.45(5) . .
O5 K1 O6 60.76(5) . .
O1 K1 O6 60.19(5) . .
O2 K1 O6 119.20(5) . .
O4 K1 O6 117.99(5) . .
O3 K1 O6 171.43(5) . .
O5 K1 C2' 93.6(2) . .
O1 K1 C2' 98.72(16) . .
O2 K1 C2' 96.0(2) . .
O4 K1 C2' 93.27(16) . .
O3 K1 C2' 81.19(18) . .
O6 K1 C2' 107.34(18) . .
O5 K1 C2 79.5(2) . .
O1 K1 C2 104.85(16) . .
O2 K1 C2 110.2(2) . .
O4 K1 C2 87.30(16) . .
O3 K1 C2 89.17(18) . .
O6 K1 C2 99.00(18) . .
C2' K1 C2 14.18(13) . .
O5 K1 C1 104.78(16) . .
O1 K1 C1 85.85(19) . .
O2 K1 C1 85.23(16) . .
O4 K1 C1 105.89(19) . .
O3 K1 C1 83.17(17) . .
O6 K1 C1 105.32(17) . .
C2' K1 C1 13.90(19) . .
C2 K1 C1 26.29(16) . .
O5 K1 C11 90.34(6) . 1_565
O1 K1 C11 77.63(6) . 1_565
O2 K1 C11 80.22(6) . 1_565
O4 K1 C11 90.30(6) . 1_565
O3 K1 C11 98.55(6) . 1_565
O6 K1 C11 73.01(6) . 1_565
C2' K1 C11 175.7(2) . 1_565
C2 K1 C11 169.3(2) . 1_565
C1 K1 C11 161.81(19) . 1_565
O5 K1 C3' 70.69(16) . .
O1 K1 C3' 99.5(2) . .
O2 K1 C3' 119.44(16) . .
O4 K1 C3' 92.15(19) . .
O3 K1 C3' 103.0(2) . .
O6 K1 C3' 85.1(2) . .
C2' K1 C3' 26.0(2) . .
C2 K1 C3' 14.0(2) . .
C1 K1 C3' 34.3(2) . .
C11 K1 C3' 156.30(19) 1_565 .
O5 K1 C1' 112.68(14) . .
O1 K1 C1' 77.38(16) . .
O2 K1 C1' 77.48(14) . .
O4 K1 C1' 114.05(16) . .
O3 K1 C1' 84.03(15) . .
O6 K1 C1' 104.14(15) . .
C2' K1 C1' 23.36(17) . .
C2 K1 C1' 35.5(2) . .
C1 K1 C1' 9.48(19) . .
C11 K1 C1' 152.33(15) 1_565 .
C3' K1 C1' 42.01(16) . .
C13 O1 C24 112.24(19) . .
C13 O1 K1 114.53(14) . .
C24 O1 K1 116.82(14) . .
C14 O2 C15 112.34(18) . .
C14 O2 K1 111.57(13) . .
C15 O2 K1 114.19(13) . .
C17 O3 C16 112.51(19) . .
C17 O3 K1 116.16(13) . .
C16 O3 K1 115.95(13) . .
C19 O4 C18 111.96(19) . .
C19 O4 K1 112.99(14) . .
C18 O4 K1 113.04(14) . .
C20 O5 C21 113.02(19) . .
C20 O5 K1 117.44(14) . .
C21 O5 K1 117.32(14) . .
C22 O6 C23 112.44(19) . .
C22 O6 K1 107.24(13) . .
C23 O6 K1 110.99(13) . .
O1 C13 C14 108.0(2) . .
O1 C13 H13A 110.1 . .
C14 C13 H13A 110.1 . .
O1 C13 H13B 110.1 . .
C14 C13 H13B 110.1 . .
H13A C13 H13B 108.4 . .
O2 C14 C13 108.5(2) . .
O2 C14 H14A 110.0 . .
C13 C14 H14A 110.0 . .
O2 C14 H14B 110.0 . .
C13 C14 H14B 110.0 . .
H14A C14 H14B 108.4 . .
O2 C15 C16 108.63(19) . .
O2 C15 H15A 110.0 . .
C16 C15 H15A 110.0 . .
O2 C15 H15B 110.0 . .
C16 C15 H15B 110.0 . .
H15A C15 H15B 108.3 . .
O3 C16 C15 108.9(2) . .
O3 C16 H16A 109.9 . .
C15 C16 H16A 109.9 . .
O3 C16 H16B 109.9 . .
C15 C16 H16B 109.9 . .
H16A C16 H16B 108.3 . .
O3 C17 C18 108.8(2) . .
O3 C17 H17A 109.9 . .
C18 C17 H17A 109.9 . .
O3 C17 H17B 109.9 . .
C18 C17 H17B 109.9 . .
H17A C17 H17B 108.3 . .
O4 C18 C17 108.9(2) . .
O4 C18 H18A 109.9 . .
C17 C18 H18A 109.9 . .
O4 C18 H18B 109.9 . .
C17 C18 H18B 109.9 . .
H18A C18 H18B 108.3 . .
O4 C19 C20 109.1(2) . .
O4 C19 H19A 109.9 . .
C20 C19 H19A 109.9 . .
O4 C19 H19B 109.9 . .
C20 C19 H19B 109.9 . .
H19A C19 H19B 108.3 . .
O5 C20 C19 108.7(2) . .
O5 C20 H20A 109.9 . .
C19 C20 H20A 109.9 . .
O5 C20 H20B 109.9 . .
C19 C20 H20B 109.9 . .
H20A C20 H20B 108.3 . .
O5 C21 C22 108.7(2) . .
O5 C21 H21A 110.0 . .
C22 C21 H21A 110.0 . .
O5 C21 H21B 110.0 . .
C22 C21 H21B 110.0 . .
H21A C21 H21B 108.3 . .
O6 C22 C21 108.3(2) . .
O6 C22 H22A 110.0 . .
C21 C22 H22A 110.0 . .
O6 C22 H22B 110.0 . .
C21 C22 H22B 110.0 . .
H22A C22 H22B 108.4 . .
O6 C23 C24 108.5(2) . .
O6 C23 H23A 110.0 . .
C24 C23 H23A 110.0 . .
O6 C23 H23B 110.0 . .
C24 C23 H23B 110.0 . .
H23A C23 H23B 108.4 . .
O1 C24 C23 107.8(2) . .
O1 C24 H24A 110.2 . .
C23 C24 H24A 110.2 . .
O1 C24 H24B 110.2 . .
C23 C24 H24B 110.2 . .
H24A C24 H24B 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 C3' 1.945(12) .
Co1 C2 1.979(7) .
Co1 C2' 1.981(8) .
Co1 C6 2.012(2) .
Co1 C5 2.014(2) .
Co1 C9 2.016(2) .
Co1 C10 2.016(2) .
Co1 C1 2.026(8) .
Co1 C4' 2.05(3) .
Co1 C3 2.097(11) .
Co1 C1' 2.180(8) .
Co1 C4 2.22(3) .
C1 C2 1.382(8) .
C1 K1 3.072(9) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.495(8) .
C2 K1 2.995(8) .
C2 H2A 1.0000 .
C3 C4 1.356(7) .
C3 H3A 1.0000 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C1' C2' 1.387(8) .
C1' K1 3.446(8) .
C1' H1C 0.9900 .
C1' H1D 0.9900 .
C2' C3' 1.491(8) .
C2' K1 2.926(7) .
C2' H2B 1.0000 .
C3' C4' 1.355(7) .
C3' K1 3.386(13) .
C3' H3B 1.0000 .
C4' H4C 0.9900 .
C4' H4D 0.9900 .
C5 C6 1.417(3) .
C5 C12 1.516(3) .
C5 H5A 1.0000 .
C6 C7 1.519(3) .
C6 H6A 1.0000 .
C7 C8 1.535(3) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.511(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.417(4) .
C9 H9A 1.0000 .
C10 C11 1.524(4) .
C10 H10A 1.0000 .
C11 C12 1.526(4) .
C11 K1 3.281(2) 1_545
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
K1 O5 2.7576(17) .
K1 O1 2.7711(17) .
K1 O2 2.8035(17) .
K1 O4 2.8400(17) .
K1 O3 2.8490(17) .
K1 O6 2.8513(17) .
K1 C11 3.281(2) 1_565
O1 C13 1.425(3) .
O1 C24 1.428(3) .
O2 C14 1.420(3) .
O2 C15 1.422(3) .
O3 C17 1.421(3) .
O3 C16 1.423(3) .
O4 C19 1.424(3) .
O4 C18 1.427(3) .
O5 C20 1.415(3) .
O5 C21 1.426(3) .
O6 C22 1.422(3) .
O6 C23 1.426(3) .
C13 C14 1.503(4) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.490(4) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.489(4) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.496(4) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.496(4) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.491(4) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 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
C3' Co1 C1 C2 24.8(6) . .
C2' Co1 C1 C2 -19.7(8) . .
C6 Co1 C1 C2 -86.9(5) . .
C5 Co1 C1 C2 -48.7(6) . .
C9 Co1 C1 C2 -177.5(4) . .
C10 Co1 C1 C2 151.4(4) . .
C4' Co1 C1 C2 64.3(7) . .
C3 Co1 C1 C2 34.8(4) . .
C1' Co1 C1 C2 168.5(17) . .
C4 Co1 C1 C2 71.9(5) . .
C3' Co1 C1 K1 8.2(6) . .
C2 Co1 C1 K1 -16.6(5) . .
C2' Co1 C1 K1 -36.3(6) . .
C6 Co1 C1 K1 -103.5(6) . .
C5 Co1 C1 K1 -65.3(7) . .
C9 Co1 C1 K1 165.9(6) . .
C10 Co1 C1 K1 134.8(5) . .
C4' Co1 C1 K1 47.7(8) . .
C3 Co1 C1 K1 18.2(6) . .
C1' Co1 C1 K1 152(2) . .
C4 Co1 C1 K1 55.3(6) . .
Co1 C1 C2 C3 -58.9(8) . .
K1 C1 C2 C3 110.2(9) . .
K1 C1 C2 Co1 169.0(3) . .
Co1 C1 C2 K1 -169.0(3) . .
C3' Co1 C2 C1 -124.7(11) . .
C2' Co1 C2 C1 19.6(9) . .
C6 Co1 C2 C1 103.9(5) . .
C5 Co1 C2 C1 146.1(5) . .
C9 Co1 C2 C1 4.5(8) . .
C10 Co1 C2 C1 -100.9(12) . .
C4' Co1 C2 C1 -99.7(9) . .
C3 Co1 C2 C1 -126.8(7) . .
C1' Co1 C2 C1 -4.1(6) . .
C4 Co1 C2 C1 -96.6(6) . .
C3' Co1 C2 C3 2.1(12) . .
C2' Co1 C2 C3 146.4(11) . .
C6 Co1 C2 C3 -129.3(5) . .
C5 Co1 C2 C3 -87.2(6) . .
C9 Co1 C2 C3 131.3(7) . .
C10 Co1 C2 C3 25.8(14) . .
C1 Co1 C2 C3 126.8(6) . .
C4' Co1 C2 C3 27.1(9) . .
C1' Co1 C2 C3 122.7(7) . .
C4 Co1 C2 C3 30.2(6) . .
C3' Co1 C2 K1 -102.9(13) . .
C2' Co1 C2 K1 41.3(9) . .
C6 Co1 C2 K1 125.7(8) . .
C5 Co1 C2 K1 167.8(8) . .
C9 Co1 C2 K1 26.3(12) . .
C10 Co1 C2 K1 -79.2(16) . .
C1 Co1 C2 K1 21.7(7) . .
C4' Co1 C2 K1 -77.9(10) . .
C3 Co1 C2 K1 -105.0(9) . .
C1' Co1 C2 K1 17.7(7) . .
C4 Co1 C2 K1 -74.9(9) . .
C1 C2 C3 C4 -1(2) . .
Co1 C2 C3 C4 -59(2) . .
K1 C2 C3 C4 89(2) . .
C1 C2 C3 Co1 58.3(8) . .
K1 C2 C3 Co1 148.1(5) . .
C3' Co1 C3 C4 124(2) . .
C2 Co1 C3 C4 127.4(13) . .
C2' Co1 C3 C4 114.1(12) . .
C6 Co1 C3 C4 -165.5(12) . .
C5 Co1 C3 C4 -132.1(12) . .
C9 Co1 C3 C4 -0.2(15) . .
C10 Co1 C3 C4 -43.5(13) . .
C1 Co1 C3 C4 94.5(12) . .
C4' Co1 C3 C4 5(3) . .
C1' Co1 C3 C4 82.0(12) . .
C3' Co1 C3 C2 -3.1(18) . .
C2' Co1 C3 C2 -13.3(4) . .
C6 Co1 C3 C2 67.1(6) . .
C5 Co1 C3 C2 100.5(5) . .
C9 Co1 C3 C2 -127.6(7) . .
C10 Co1 C3 C2 -170.8(4) . .
C1 Co1 C3 C2 -32.9(4) . .
C4' Co1 C3 C2 -122.2(18) . .
C1' Co1 C3 C2 -45.4(6) . .
C4 Co1 C3 C2 -127.4(13) . .
C2 C3 C4 Co1 52.7(14) . .
C3' Co1 C4 C3 -19.3(8) . .
C2 Co1 C4 C3 -35.2(9) . .
C2' Co1 C4 C3 -54.6(10) . .
C6 Co1 C4 C3 34(3) . .
C5 Co1 C4 C3 57.9(14) . .
C9 Co1 C4 C3 179.9(8) . .
C10 Co1 C4 C3 143.4(10) . .
C1 Co1 C4 C3 -76.1(11) . .
C4' Co1 C4 C3 -17(8) . .
C1' Co1 C4 C3 -93.6(11) . .
C3' Co1 C1' C2' 36.5(4) . .
C2 Co1 C1' C2' 13.6(5) . .
C6 Co1 C1' C2' -76.7(5) . .
C5 Co1 C1' C2' -47.0(7) . .
C9 Co1 C1' C2' -161.8(5) . .
C10 Co1 C1' C2' 171.6(5) . .
C1 Co1 C1' C2' 4.7(13) . .
C4' Co1 C1' C2' 76.7(5) . .
C3 Co1 C1' C2' 48.6(7) . .
C4 Co1 C1' C2' 85.1(8) . .
C3' Co1 C1' K1 14.5(4) . .
C2 Co1 C1' K1 -8.5(3) . .
C2' Co1 C1' K1 -22.1(4) . .
C6 Co1 C1' K1 -98.8(3) . .
C5 Co1 C1' K1 -69.1(5) . .
C9 Co1 C1' K1 176.1(3) . .
C10 Co1 C1' K1 149.56(19) . .
C1 Co1 C1' K1 -17.3(12) . .
C4' Co1 C1' K1 54.6(5) . .
C3 Co1 C1' K1 26.6(5) . .
C4 Co1 C1' K1 63.1(6) . .
Co1 C1' C2' C3' -56.0(8) . .
K1 C1' C2' C3' 100.1(9) . .
K1 C1' C2' Co1 156.1(4) . .
Co1 C1' C2' K1 -156.1(4) . .
C3' Co1 C2' C1' -126.1(6) . .
C2 Co1 C2' C1' -147.1(12) . .
C6 Co1 C2' C1' 113.4(5) . .
C5 Co1 C2' C1' 153.4(4) . .
C9 Co1 C2' C1' 22.8(6) . .
C10 Co1 C2' C1' -21.4(12) . .
C1 Co1 C2' C1' -3.9(10) . .
C4' Co1 C2' C1' -93.8(5) . .
C3 Co1 C2' C1' -121.8(8) . .
C4 Co1 C2' C1' -88.4(8) . .
C2 Co1 C2' C3' -21.1(10) . .
C6 Co1 C2' C3' -120.5(5) . .
C5 Co1 C2' C3' -80.6(5) . .
C9 Co1 C2' C3' 148.9(5) . .
C10 Co1 C2' C3' 104.7(11) . .
C1 Co1 C2' C3' 122.1(11) . .
C4' Co1 C2' C3' 32.2(5) . .
C3 Co1 C2' C3' 4.3(8) . .
C1' Co1 C2' C3' 126.1(6) . .
C4 Co1 C2' C3' 37.7(8) . .
C3' Co1 C2' K1 -37.8(11) . .
C2 Co1 C2' K1 -58.9(13) . .
C6 Co1 C2' K1 -158.3(12) . .
C5 Co1 C2' K1 -118.4(11) . .
C9 Co1 C2' K1 111.0(12) . .
C10 Co1 C2' K1 66.9(19) . .
C1 Co1 C2' K1 84.3(13) . .
C4' Co1 C2' K1 -5.6(12) . .
C3 Co1 C2' K1 -33.5(11) . .
C1' Co1 C2' K1 88.2(12) . .
C4 Co1 C2' K1 -0.1(12) . .
C1' C2' C3' C4' 3(2) . .
Co1 C2' C3' C4' -59(2) . .
K1 C2' C3' C4' 106(2) . .
C1' C2' C3' Co1 62.4(8) . .
K1 C2' C3' Co1 165.8(4) . .
C1' C2' C3' K1 -103.4(8) . .
Co1 C2' C3' K1 -165.8(4) . .
C2 Co1 C3' C4' 144.2(13) . .
C2' Co1 C3' C4' 126.5(11) . .
C6 Co1 C3' C4' -160.0(10) . .
C5 Co1 C3' C4' -119.7(10) . .
C9 Co1 C3' C4' 46.5(14) . .
C10 Co1 C3' C4' -25.1(11) . .
C1 Co1 C3' C4' 105.4(11) . .
C3 Co1 C3' C4' -41(2) . .
C1' Co1 C3' C4' 94.7(10) . .
C4 Co1 C3' C4' 0.6(18) . .
C2 Co1 C3' C2' 17.6(8) . .
C6 Co1 C3' C2' 73.5(5) . .
C5 Co1 C3' C2' 113.7(4) . .
C9 Co1 C3' C2' -80.1(10) . .
C10 Co1 C3' C2' -151.6(4) . .
C1 Co1 C3' C2' -21.2(5) . .
C4' Co1 C3' C2' -126.5(11) . .
C3 Co1 C3' C2' -167(2) . .
C1' Co1 C3' C2' -31.9(4) . .
C4 Co1 C3' C2' -125.9(11) . .
C2 Co1 C3' K1 32.9(6) . .
C2' Co1 C3' K1 15.3(4) . .
C6 Co1 C3' K1 88.8(5) . .
C5 Co1 C3' K1 129.0(5) . .
C9 Co1 C3' K1 -64.8(11) . .
C10 Co1 C3' K1 -136.3(4) . .
C1 Co1 C3' K1 -5.9(4) . .
C4' Co1 C3' K1 -111.3(11) . .
C3 Co1 C3' K1 -152(3) . .
C1' Co1 C3' K1 -16.6(4) . .
C4 Co1 C3' K1 -110.6(12) . .
C2' C3' C4' Co1 56.6(13) . .
K1 C3' C4' Co1 123.6(7) . .
C2 Co1 C4' C3' -16.7(6) . .
C2' Co1 C4' C3' -36.0(8) . .
C6 Co1 C4' C3' 41(2) . .
C5 Co1 C4' C3' 73.3(11) . .
C9 Co1 C4' C3' -159.1(6) . .
C10 Co1 C4' C3' 162.9(8) . .
C1 Co1 C4' C3' -58.1(8) . .
C3 Co1 C4' C3' 24.1(11) . .
C1' Co1 C4' C3' -75.3(8) . .
C4 Co1 C4' C3' -177(9) . .
C3' Co1 C5 C6 -119.4(4) . .
C2 Co1 C5 C6 -93.3(3) . .
C2' Co1 C5 C6 -74.5(4) . .
C9 Co1 C5 C6 66.54(16) . .
C10 Co1 C5 C6 103.71(15) . .
C1 Co1 C5 C6 -63.4(4) . .
C4' Co1 C5 C6 -157.8(7) . .
C3 Co1 C5 C6 -136.5(4) . .
C1' Co1 C5 C6 -44.5(4) . .
C4 Co1 C5 C6 -167.0(8) . .
C3' Co1 C5 C12 122.3(4) . .
C2 Co1 C5 C12 148.5(3) . .
C2' Co1 C5 C12 167.2(4) . .
C6 Co1 C5 C12 -118.3(2) . .
C9 Co1 C5 C12 -51.73(19) . .
C10 Co1 C5 C12 -14.57(18) . .
C1 Co1 C5 C12 178.3(4) . .
C4' Co1 C5 C12 83.9(7) . .
C3 Co1 C5 C12 105.2(4) . .
C1' Co1 C5 C12 -162.8(4) . .
C4 Co1 C5 C12 74.7(8) . .
C12 C5 C6 C7 -1.7(4) . .
Co1 C5 C6 C7 -105.4(2) . .
C12 C5 C6 Co1 103.7(2) . .
C3' Co1 C6 C5 74.4(4) . .
C2 Co1 C6 C5 95.8(4) . .
C2' Co1 C6 C5 117.3(4) . .
C9 Co1 C6 C5 -116.48(15) . .
C10 Co1 C6 C5 -76.52(15) . .
C1 Co1 C6 C5 137.1(3) . .
C4' Co1 C6 C5 46.4(15) . .
C3 Co1 C6 C5 56.0(4) . .
C1' Co1 C6 C5 155.2(3) . .
C4 Co1 C6 C5 32(2) . .
C3' Co1 C6 C7 -168.0(4) . .
C2 Co1 C6 C7 -146.6(4) . .
C2' Co1 C6 C7 -125.0(4) . .
C5 Co1 C6 C7 117.6(2) . .
C9 Co1 C6 C7 1.15(17) . .
C10 Co1 C6 C7 41.12(18) . .
C1 Co1 C6 C7 -105.3(3) . .
C4' Co1 C6 C7 164.1(15) . .
C3 Co1 C6 C7 173.6(4) . .
C1' Co1 C6 C7 -87.2(3) . .
C4 Co1 C6 C7 150(2) . .
C5 C6 C7 C8 93.0(3) . .
Co1 C6 C7 C8 13.2(2) . .
C6 C7 C8 C9 -25.9(3) . .
C7 C8 C9 C10 -52.0(3) . .
C7 C8 C9 Co1 26.8(3) . .
C3' Co1 C9 C10 -99.8(8) . .
C2 Co1 C9 C10 -152.4(4) . .
C2' Co1 C9 C10 -159.2(3) . .
C6 Co1 C9 C10 103.56(15) . .
C5 Co1 C9 C10 66.23(15) . .
C1 Co1 C9 C10 -149.4(3) . .
C4' Co1 C9 C10 -67.3(8) . .
C3 Co1 C9 C10 -64.3(7) . .
C1' Co1 C9 C10 -145.2(3) . .
C4 Co1 C9 C10 -64.5(8) . .
C3' Co1 C9 C8 141.1(8) . .
C2 Co1 C9 C8 88.5(5) . .
C2' Co1 C9 C8 81.8(3) . .
C6 Co1 C9 C8 -15.51(18) . .
C5 Co1 C9 C8 -52.83(19) . .
C10 Co1 C9 C8 -119.1(2) . .
C1 Co1 C9 C8 91.6(3) . .
C4' Co1 C9 C8 173.6(8) . .
C3 Co1 C9 C8 176.6(6) . .
C1' Co1 C9 C8 95.7(3) . .
C4 Co1 C9 C8 176.5(8) . .
C8 C9 C10 C11 -2.2(4) . .
Co1 C9 C10 C11 -104.8(2) . .
C8 C9 C10 Co1 102.6(2) . .
C3' Co1 C10 C9 142.5(5) . .
C2 Co1 C10 C9 127.7(10) . .
C2' Co1 C10 C9 58.5(9) . .
C6 Co1 C10 C9 -76.72(15) . .
C5 Co1 C10 C9 -116.73(15) . .
C1 Co1 C10 C9 48.8(4) . .
C4' Co1 C10 C9 126.6(6) . .
C3 Co1 C10 C9 147.8(4) . .
C1' Co1 C10 C9 42.8(3) . .
C4 Co1 C10 C9 123.7(5) . .
C3' Co1 C10 C11 -100.9(5) . .
C2 Co1 C10 C11 -115.7(10) . .
C2' Co1 C10 C11 175.1(9) . .
C6 Co1 C10 C11 39.87(19) . .
C5 Co1 C10 C11 -0.14(18) . .
C9 Co1 C10 C11 116.6(2) . .
C1 Co1 C10 C11 165.4(4) . .
C4' Co1 C10 C11 -116.8(6) . .
C3 Co1 C10 C11 -95.6(4) . .
C1' Co1 C10 C11 159.4(3) . .
C4 Co1 C10 C11 -119.8(5) . .
C9 C10 C11 C12 93.7(3) . .
Co1 C10 C11 C12 14.7(3) . .
C9 C10 C11 K1 -71.7(4) . 1_545
Co1 C10 C11 K1 -150.75(18) . 1_545
C6 C5 C12 C11 -52.8(3) . .
Co1 C5 C12 C11 26.2(2) . .
C10 C11 C12 C5 -26.3(3) . .
K1 C11 C12 C5 144.96(16) 1_545 .
C1' C2' K1 O5 146.0(6) . .
C3' C2' K1 O5 28.0(5) . .
Co1 C2' K1 O5 62.3(12) . .
C1' C2' K1 O1 24.2(6) . .
C3' C2' K1 O1 -93.9(5) . .
Co1 C2' K1 O1 -59.6(13) . .
C1' C2' K1 O2 -37.6(6) . .
C3' C2' K1 O2 -155.6(5) . .
Co1 C2' K1 O2 -121.3(12) . .
C1' C2' K1 O4 -153.7(6) . .
C3' C2' K1 O4 88.2(5) . .
Co1 C2' K1 O4 122.5(12) . .
C1' C2' K1 O3 -95.3(6) . .
C3' C2' K1 O3 146.6(5) . .
Co1 C2' K1 O3 -179.1(13) . .
C1' C2' K1 O6 85.6(6) . .
C3' C2' K1 O6 -32.5(5) . .
Co1 C2' K1 O6 1.8(13) . .
C1' C2' K1 C2 141.0(12) . .
C3' C2' K1 C2 23.0(10) . .
Co1 C2' K1 C2 57.3(13) . .
C1' C2' K1 C1 1.8(10) . .
C3' C2' K1 C1 -116.2(11) . .
Co1 C2' K1 C1 -81.9(12) . .
C1' C2' K1 C11 -8(3) . 1_565
C3' C2' K1 C11 -126(3) . 1_565
Co1 C2' K1 C11 -92(3) . 1_565
C1' C2' K1 C3' 118.1(6) . .
Co1 C2' K1 C3' 34.3(10) . .
C3' C2' K1 C1' -118.1(6) . .
Co1 C2' K1 C1' -83.7(11) . .
C1 C2 K1 O5 164.3(5) . .
C3 C2 K1 O5 49.4(7) . .
Co1 C2 K1 O5 143.4(9) . .
C1 C2 K1 O1 45.1(5) . .
C3 C2 K1 O1 -69.8(7) . .
Co1 C2 K1 O1 24.2(9) . .
C1 C2 K1 O2 -19.3(5) . .
C3 C2 K1 O2 -134.1(7) . .
Co1 C2 K1 O2 -40.2(9) . .
C1 C2 K1 O4 -135.6(5) . .
C3 C2 K1 O4 109.5(7) . .
Co1 C2 K1 O4 -156.5(9) . .
C1 C2 K1 O3 -76.1(5) . .
C3 C2 K1 O3 169.0(7) . .
Co1 C2 K1 O3 -97.1(9) . .
C1 C2 K1 O6 106.5(5) . .
C3 C2 K1 O6 -8.4(7) . .
Co1 C2 K1 O6 85.6(9) . .
C1 C2 K1 C2' -20.7(9) . .
C3 C2 K1 C2' -135.6(11) . .
Co1 C2 K1 C2' -41.7(9) . .
C3 C2 K1 C1 -114.9(6) . .
Co1 C2 K1 C1 -20.9(6) . .
C1 C2 K1 C11 147.2(9) . 1_565
C3 C2 K1 C11 32.4(12) . 1_565
Co1 C2 K1 C11 126.3(10) . 1_565
C1 C2 K1 C3' 114.3(12) . .
C3 C2 K1 C3' -0.6(12) . .
Co1 C2 K1 C3' 93.4(13) . .
C1 C2 K1 C1' 4.7(6) . .
C3 C2 K1 C1' -110.2(8) . .
Co1 C2 K1 C1' -16.2(7) . .
C2 C1 K1 O5 -16.0(5) . .
Co1 C1 K1 O5 0.1(7) . .
C2 C1 K1 O1 -136.7(5) . .
Co1 C1 K1 O1 -120.6(7) . .
C2 C1 K1 O2 161.9(5) . .
Co1 C1 K1 O2 177.9(7) . .
C2 C1 K1 O4 46.6(5) . .
Co1 C1 K1 O4 62.6(7) . .
C2 C1 K1 O3 102.1(5) . .
Co1 C1 K1 O3 118.1(7) . .
C2 C1 K1 O6 -79.1(5) . .
Co1 C1 K1 O6 -63.1(7) . .
C2 C1 K1 C2' 21.2(8) . .
Co1 C1 K1 C2' 37.2(7) . .
Co1 C1 K1 C2 16.0(5) . .
C2 C1 K1 C11 -161.3(5) . 1_565
Co1 C1 K1 C11 -145.3(4) . 1_565
C2 C1 K1 C3' -23.1(5) . .
Co1 C1 K1 C3' -7.1(5) . .
C2 C1 K1 C1' -163.2(19) . .
Co1 C1 K1 C1' -147(2) . .
C4' C3' K1 O5 103.6(11) . .
C2' C3' K1 O5 -150.3(5) . .
Co1 C3' K1 O5 -166.9(7) . .
C4' C3' K1 O1 -15.8(10) . .
C2' C3' K1 O1 90.4(5) . .
Co1 C3' K1 O1 73.8(6) . .
C4' C3' K1 O2 -78.0(11) . .
C2' C3' K1 O2 28.1(6) . .
Co1 C3' K1 O2 11.5(7) . .
C4' C3' K1 O4 160.8(10) . .
C2' C3' K1 O4 -93.1(5) . .
Co1 C3' K1 O4 -109.7(6) . .
C4' C3' K1 O3 -140.1(10) . .
C2' C3' K1 O3 -33.9(5) . .
Co1 C3' K1 O3 -50.5(6) . .
C4' C3' K1 O6 42.9(10) . .
C2' C3' K1 O6 149.0(5) . .
Co1 C3' K1 O6 132.4(6) . .
C4' C3' K1 C2' -106.2(10) . .
Co1 C3' K1 C2' -16.6(4) . .
C4' C3' K1 C2 -129.4(13) . .
C2' C3' K1 C2 -23.2(8) . .
Co1 C3' K1 C2 -39.8(7) . .
C4' C3' K1 C1 -83.7(10) . .
C2' C3' K1 C1 22.4(5) . .
Co1 C3' K1 C1 5.8(4) . .
C4' C3' K1 C11 65.1(10) . 1_565
C2' C3' K1 C11 171.3(4) . 1_565
Co1 C3' K1 C11 154.7(3) . 1_565
C4' C3' K1 C1' -74.6(9) . .
C2' C3' K1 C1' 31.5(3) . .
Co1 C3' K1 C1' 14.9(4) . .
C2' C1' K1 O5 -37.2(6) . .
Co1 C1' K1 O5 -13.6(4) . .
C2' C1' K1 O1 -155.5(6) . .
Co1 C1' K1 O1 -131.9(4) . .
C2' C1' K1 O2 141.6(6) . .
Co1 C1' K1 O2 165.2(4) . .
C2' C1' K1 O4 28.9(6) . .
Co1 C1' K1 O4 52.5(4) . .
C2' C1' K1 O3 81.6(6) . .
Co1 C1' K1 O3 105.2(3) . .
C2' C1' K1 O6 -101.1(6) . .
Co1 C1' K1 O6 -77.5(4) . .
Co1 C1' K1 C2' 23.6(5) . .
C2' C1' K1 C2 -15.4(5) . .
Co1 C1' K1 C2 8.2(3) . .
C2' C1' K1 C1 -2.7(15) . .
Co1 C1' K1 C1 20.9(14) . .
C2' C1' K1 C11 178.6(5) . 1_565
Co1 C1' K1 C11 -157.80(16) . 1_565
C2' C1' K1 C3' -35.4(4) . .
Co1 C1' K1 C3' -11.8(3) . .
O5 K1 O1 C13 153.14(16) . .
O2 K1 O1 C13 -15.29(16) . .
O4 K1 O1 C13 62.8(3) . .
O3 K1 O1 C13 -22.53(19) . .
O6 K1 O1 C13 147.57(18) . .
C2' K1 O1 C13 -107.4(3) . .
C2 K1 O1 C13 -120.4(3) . .
C1 K1 O1 C13 -102.1(2) . .
C11 K1 O1 C13 70.23(17) 1_565 .
C3' K1 O1 C13 -133.7(2) . .
C1' K1 O1 C13 -97.8(2) . .
O5 K1 O1 C24 18.96(18) . .
O2 K1 O1 C24 -149.48(18) . .
O4 K1 O1 C24 -71.4(3) . .
O3 K1 O1 C24 -156.72(15) . .
O6 K1 O1 C24 13.39(15) . .
C2' K1 O1 C24 118.4(3) . .
C2 K1 O1 C24 105.4(3) . .
C1 K1 O1 C24 123.7(2) . .
C11 K1 O1 C24 -63.96(16) 1_565 .
C3' K1 O1 C24 92.1(2) . .
C1' K1 O1 C24 128.0(2) . .
O5 K1 O2 C14 -124.5(3) . .
O1 K1 O2 C14 -20.63(15) . .
O4 K1 O2 C14 172.59(15) . .
O3 K1 O2 C14 152.12(17) . .
O6 K1 O2 C14 -37.65(16) . .
C2' K1 O2 C14 76.0(2) . .
C2 K1 O2 C14 75.7(2) . .
C1 K1 O2 C14 67.2(2) . .
C11 K1 O2 C14 -101.81(16) 1_565 .
C3' K1 O2 C14 64.0(3) . .
C1' K1 O2 C14 61.7(2) . .
O5 K1 O2 C15 106.7(3) . .
O1 K1 O2 C15 -149.35(16) . .
O4 K1 O2 C15 43.87(16) . .
O3 K1 O2 C15 23.39(14) . .
O6 K1 O2 C15 -166.37(14) . .
C2' K1 O2 C15 -52.7(2) . .
C2 K1 O2 C15 -53.0(2) . .
C1 K1 O2 C15 -61.5(2) . .
C11 K1 O2 C15 129.47(15) 1_565 .
C3' K1 O2 C15 -64.7(3) . .
C1' K1 O2 C15 -67.0(2) . .
O5 K1 O3 C17 -21.84(17) . .
O1 K1 O3 C17 153.92(15) . .
O2 K1 O3 C17 146.55(17) . .
O4 K1 O3 C17 -11.96(15) . .
O6 K1 O3 C17 63.0(4) . .
C2' K1 O3 C17 -111.1(3) . .
C2 K1 O3 C17 -99.3(2) . .
C1 K1 O3 C17 -125.0(2) . .
C11 K1 O3 C17 73.30(16) 1_565 .
C3' K1 O3 C17 -96.7(2) . .
C1' K1 O3 C17 -134.5(2) . .
O5 K1 O3 C16 -157.36(15) . .
O1 K1 O3 C16 18.39(17) . .
O2 K1 O3 C16 11.03(14) . .
O4 K1 O3 C16 -147.49(17) . .
O6 K1 O3 C16 -72.5(4) . .
C2' K1 O3 C16 113.4(3) . .
C2 K1 O3 C16 125.2(2) . .
C1 K1 O3 C16 99.5(2) . .
C11 K1 O3 C16 -62.22(16) 1_565 .
C3' K1 O3 C16 127.7(2) . .
C1' K1 O3 C16 90.0(2) . .
O5 K1 O4 C19 18.95(15) . .
O1 K1 O4 C19 116.5(3) . .
O2 K1 O4 C19 -171.54(15) . .
O3 K1 O4 C19 -151.07(17) . .
O6 K1 O4 C19 38.32(17) . .
C2' K1 O4 C19 -73.3(3) . .
C2 K1 O4 C19 -60.4(3) . .
C1 K1 O4 C19 -79.2(2) . .
C11 K1 O4 C19 109.17(16) 1_565 .
C3' K1 O4 C19 -47.3(2) . .
C1' K1 O4 C19 -84.4(2) . .
O5 K1 O4 C18 147.40(17) . .
O1 K1 O4 C18 -115.1(3) . .
O2 K1 O4 C18 -43.09(17) . .
O3 K1 O4 C18 -22.62(15) . .
O6 K1 O4 C18 166.77(15) . .
C2' K1 O4 C18 55.2(3) . .
C2 K1 O4 C18 68.0(3) . .
C1 K1 O4 C18 49.2(2) . .
C11 K1 O4 C18 -122.38(16) 1_565 .
C3' K1 O4 C18 81.2(2) . .
C1' K1 O4 C18 44.1(2) . .
O1 K1 O5 C20 -150.50(16) . .
O2 K1 O5 C20 -52.3(4) . .
O4 K1 O5 C20 15.43(16) . .
O3 K1 O5 C20 25.24(18) . .
O6 K1 O5 C20 -144.97(18) . .
C2' K1 O5 C20 107.2(2) . .
C2 K1 O5 C20 108.4(2) . .
C1 K1 O5 C20 115.5(2) . .
C11 K1 O5 C20 -74.73(17) 1_565 .
C3' K1 O5 C20 119.7(3) . .
C1' K1 O5 C20 121.0(2) . .
O1 K1 O5 C21 -10.68(18) . .
O2 K1 O5 C21 87.5(3) . .
O4 K1 O5 C21 155.25(18) . .
O3 K1 O5 C21 165.06(15) . .
O6 K1 O5 C21 -5.14(15) . .
C2' K1 O5 C21 -113.0(2) . .
C2 K1 O5 C21 -111.8(2) . .
C1 K1 O5 C21 -104.7(2) . .
C11 K1 O5 C21 65.10(17) 1_565 .
C3' K1 O5 C21 -100.4(3) . .
C1' K1 O5 C21 -99.1(2) . .
O5 K1 O6 C22 -29.18(14) . .
O1 K1 O6 C22 145.34(16) . .
O2 K1 O6 C22 162.54(14) . .
O4 K1 O6 C22 -48.41(16) . .
O3 K1 O6 C22 -118.8(3) . .
C2' K1 O6 C22 55.1(3) . .
C2 K1 O6 C22 43.3(2) . .
C1 K1 O6 C22 69.4(2) . .
C11 K1 O6 C22 -129.43(16) 1_565 .
C3' K1 O6 C22 41.4(2) . .
C1' K1 O6 C22 79.2(2) . .
O5 K1 O6 C23 -152.35(16) . .
O1 K1 O6 C23 22.16(14) . .
O2 K1 O6 C23 39.37(16) . .
O4 K1 O6 C23 -171.59(14) . .
O3 K1 O6 C23 118.0(3) . .
C2' K1 O6 C23 -68.1(3) . .
C2 K1 O6 C23 -79.9(2) . .
C1 K1 O6 C23 -53.7(2) . .
C11 K1 O6 C23 107.39(15) 1_565 .
C3' K1 O6 C23 -81.8(2) . .
C1' K1 O6 C23 -44.0(2) . .
C24 O1 C13 C14 -175.8(2) . .
K1 O1 C13 C14 47.9(2) . .
C15 O2 C14 C13 -176.7(2) . .
K1 O2 C14 C13 53.6(2) . .
O1 C13 C14 O2 -68.9(3) . .
C14 O2 C15 C16 176.5(2) . .
K1 O2 C15 C16 -55.2(2) . .
C17 O3 C16 C15 -179.37(19) . .
K1 O3 C16 C15 -42.3(2) . .
O2 C15 C16 O3 64.6(3) . .
C16 O3 C17 C18 -179.3(2) . .
K1 O3 C17 C18 43.6(2) . .
C19 O4 C18 C17 -176.2(2) . .
K1 O4 C18 C17 54.8(2) . .
O3 C17 C18 O4 -65.9(3) . .
C18 O4 C19 C20 -178.9(2) . .
K1 O4 C19 C20 -49.9(2) . .
C21 O5 C20 C19 171.9(2) . .
K1 O5 C20 C19 -46.6(2) . .
O4 C19 C20 O5 64.1(3) . .
C20 O5 C21 C22 179.1(2) . .
K1 O5 C21 C22 37.5(2) . .
C23 O6 C22 C21 -176.09(19) . .
K1 O6 C22 C21 61.6(2) . .
O5 C21 C22 O6 -68.3(3) . .
C22 O6 C23 C24 -175.1(2) . .
K1 O6 C23 C24 -55.0(2) . .
C13 O1 C24 C23 178.8(2) . .
K1 O1 C24 C23 -46.0(2) . .
O6 C23 C24 O1 67.9(3) . .
