#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:40:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179511 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/08/4340862.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_4340862
loop_
_publ_author_name
'Hailmann, Michael'
'Konieczka, Szymon Z.'
'Himmelspach, Alexander'
'Löblein, Jochen'
'Reiss, Guido J.'
'Finze, Maik'
_publ_section_title
;
 Carba-closo-dodecaborate Anions with Two Functional Groups:
 [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2,
 NHC(O)H).
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9385
_journal_page_last               9399
_journal_paper_doi               10.1021/ic501526g
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C2 H13 B11 K N O'
_chemical_formula_sum            'C2 H13 B11 K N O'
_chemical_formula_weight         225.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.670(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7739(7)
_cell_length_b                   9.2520(6)
_cell_length_c                   11.7942(7)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.50
_cell_measurement_theta_min      2.82
_cell_volume                     1151.35(13)
_computing_cell_refinement       'CELL (Stoe & Cie, 1996)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 1996)'
_computing_data_reduction        'INTEGRATE (Stoe & Cie, 1996)'
_computing_molecular_graphics    'Diamond3.1 (Crystal Impact GbR, 2006)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       φ-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  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0288
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7497
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.28
_exptl_absorpt_coefficient_mu    0.419
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.243
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     116
_refine_ls_number_reflns         1024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0370
_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)+(0.0100P)²+2.4000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0762
_reflns_number_gt                876
_reflns_number_total             1024
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501526g_si_002.cif
_cod_data_source_block           K[1-HOCHN-12-HCC-closo-1-CB11H10]
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

 Adding full bibliography for 4340857--4340862.cif.
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4340862
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
K1 K 0.74247(7) 0.0000 0.15802(6) 0.0300(2) Uani 1 2 d S
O1 O 0.86434(19) 0.0000 -0.62068(18) 0.0291(5) Uani 1 2 d S
N1 N 0.8603(3) 0.0000 -0.4296(2) 0.0243(6) Uani 1 2 d S
H1N H 0.933(3) 0.0000 -0.412(3) 0.020(8) Uiso 1 2 d S
C1 C 0.7915(3) 0.0000 -0.3372(3) 0.0210(6) Uani 1 2 d S
C2 C 0.8071(3) 0.0000 -0.5402(3) 0.0272(7) Uani 1 2 d S
H2C H 0.719(3) 0.0000 -0.558(3) 0.030(9) Uiso 1 2 d S
B2 B 0.6429(3) 0.0000 -0.1238(3) 0.0285(8) Uani 1 2 d S
H2 H 0.593(3) 0.0000 -0.055(3) 0.029(8) Uiso 1 2 d S
B3 B 0.8804(3) 0.0000 -0.1996(3) 0.0226(7) Uani 1 2 d S
H3 H 0.984(3) 0.0000 -0.187(2) 0.018(7) Uiso 1 2 d S
B4 B 0.6523(2) -0.0973(2) -0.3532(2) 0.0239(5) Uani 1 1 d .
H4 H 0.619(2) -0.155(2) -0.433(2) 0.030(6) Uiso 1 1 d .
B5 B 0.5602(3) 0.0000 -0.2699(3) 0.0239(7) Uani 1 2 d S
H5 H 0.458(3) 0.0000 -0.295(3) 0.020(7) Uiso 1 2 d S
B6 B 0.7887(2) -0.0973(3) -0.1158(2) 0.0288(6) Uani 1 1 d .
H6 H 0.837(2) -0.160(2) -0.043(2) 0.034(6) Uiso 1 1 d .
B7 B 0.7935(2) -0.1565(2) -0.2573(2) 0.0244(5) Uani 1 1 d .
H7 H 0.8478(18) -0.250(2) -0.2790(18) 0.021(5) Uiso 1 1 d .
B8 B 0.6468(2) -0.1563(3) -0.2105(2) 0.0271(5) Uani 1 1 d .
H8 H 0.599(2) -0.256(2) -0.1952(19) 0.025(5) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 '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
O1 K1 B2 169.95(8) 1_556 .
O1 K1 B8 74.80(5) 1_556 4_655
B2 K1 B8 102.41(5) . 4_655
O1 K1 B8 74.80(5) 1_556 7_645
B2 K1 B8 102.41(5) . 7_645
B8 K1 B8 137.75(9) 4_655 7_645
O1 K1 B7 74.58(5) 1_556 7_645
B2 K1 B7 108.01(5) . 7_645
B8 K1 B7 149.35(7) 4_655 7_645
B8 K1 B7 30.08(5) 7_645 7_645
O1 K1 B7 74.58(5) 1_556 4_655
B2 K1 B7 108.01(5) . 4_655
B8 K1 B7 30.08(5) 4_655 4_655
B8 K1 B7 149.35(7) 7_645 4_655
B7 K1 B7 135.32(8) 7_645 4_655
O1 K1 C2 17.46(6) 1_556 1_556
B2 K1 C2 172.60(8) . 1_556
B8 K1 C2 79.87(5) 4_655 1_556
B8 K1 C2 79.87(5) 7_645 1_556
B7 K1 C2 70.42(4) 7_645 1_556
B7 K1 C2 70.42(4) 4_655 1_556
O1 K1 B6 140.42(6) 1_556 .
B2 K1 B6 30.62(6) . .
B8 K1 B6 107.41(6) 4_655 .
B8 K1 B6 79.45(6) 7_645 .
B7 K1 B6 97.12(6) 7_645 .
B7 K1 B6 127.03(6) 4_655 .
C2 K1 B6 155.50(6) 1_556 .
O1 K1 B6 140.42(6) 1_556 6
B2 K1 B6 30.62(6) . 6
B8 K1 B6 79.45(6) 4_655 6
B8 K1 B6 107.41(6) 7_645 6
B7 K1 B6 127.03(6) 7_645 6
B7 K1 B6 97.12(6) 4_655 6
C2 K1 B6 155.50(6) 1_556 6
B6 K1 B6 29.97(8) . 6
C2 O1 K1 121.9(2) . 1_554
C2 N1 C1 124.4(3) . .
N1 C1 B3 116.4(2) . .
N1 C1 B7 117.60(12) . 6
B3 C1 B7 62.55(12) . 6
N1 C1 B7 117.60(12) . .
B3 C1 B7 62.55(12) . .
B7 C1 B7 114.1(2) 6 .
N1 C1 B4 119.2(2) . .
B3 C1 B4 114.26(18) . .
B7 C1 B4 114.27(18) 6 .
B7 C1 B4 62.36(12) . .
N1 C1 B4 119.2(2) . 6
B3 C1 B4 114.26(18) . 6
B7 C1 B4 62.36(12) 6 6
B7 C1 B4 114.27(18) . 6
B4 C1 B4 62.84(18) . 6
O1 C2 N1 125.4(3) . .
O1 C2 K1 40.61(15) . 1_554
N1 C2 K1 166.0(2) . 1_554
B5 B2 B8 60.40(14) . .
B5 B2 B8 60.40(14) . 6
B8 B2 B8 109.0(2) . 6
B5 B2 B6 108.3(2) . 6
B8 B2 B6 108.4(2) . 6
B8 B2 B6 60.01(14) 6 6
B5 B2 B6 108.3(2) . .
B8 B2 B6 60.01(14) . .
B8 B2 B6 108.4(2) 6 .
B6 B2 B6 60.17(19) 6 .
B5 B2 K1 169.21(19) . .
B8 B2 K1 122.85(14) . .
B8 B2 K1 122.85(14) 6 .
B6 B2 K1 80.97(15) 6 .
B6 B2 K1 80.97(15) . .
C1 B3 B6 105.10(19) . .
C1 B3 B6 105.10(19) . 6
B6 B3 B6 60.86(19) . 6
C1 B3 B7 59.17(13) . .
B6 B3 B7 59.52(13) . .
B6 B3 B7 108.38(19) 6 .
C1 B3 B7 59.17(13) . 6
B6 B3 B7 108.38(19) . 6
B6 B3 B7 59.52(13) 6 6
B7 B3 B7 108.6(2) . 6
C1 B4 B5 104.23(16) . .
C1 B4 B8 104.55(18) . .
B5 B4 B8 60.25(14) . .
C1 B4 B7 58.78(12) . .
B5 B4 B7 107.74(19) . .
B8 B4 B7 59.70(13) . .
C1 B4 B4 58.58(9) . 6
B5 B4 B4 59.54(9) . 6
B8 B4 B4 107.85(11) . 6
B7 B4 B4 107.84(10) . 6
B4 B5 B4 60.91(18) . 6
B4 B5 B2 108.1(2) . .
B4 B5 B2 108.1(2) 6 .
B4 B5 B8 108.75(19) . 6
B4 B5 B8 60.02(13) 6 6
B2 B5 B8 59.92(14) . 6
B4 B5 B8 60.02(13) . .
B4 B5 B8 108.75(19) 6 .
B2 B5 B8 59.92(14) . .
B8 B5 B8 108.2(2) 6 .
B7 B6 B3 60.38(14) . .
B7 B6 B8 59.95(14) . .
B3 B6 B8 107.95(19) . .
B7 B6 B2 107.3(2) . .
B3 B6 B2 107.17(17) . .
B8 B6 B2 59.45(14) . .
B7 B6 B6 108.04(11) . 6
B3 B6 B6 59.57(10) . 6
B8 B6 B6 107.78(11) . 6
B2 B6 B6 59.91(10) . 6
B7 B6 K1 172.97(14) . .
B3 B6 K1 125.76(14) . .
B8 B6 K1 113.22(12) . .
B2 B6 K1 68.41(14) . .
B6 B6 K1 75.02(4) 6 .
C1 B7 B6 104.87(17) . .
C1 B7 B8 104.82(17) . .
B6 B7 B8 60.56(14) . .
C1 B7 B3 58.29(15) . .
B6 B7 B3 60.10(15) . .
B8 B7 B3 108.20(18) . .
C1 B7 B4 58.86(14) . .
B6 B7 B4 108.60(16) . .
B8 B7 B4 59.98(13) . .
B3 B7 B4 107.86(17) . .
C1 B7 K1 166.58(15) . 7_645
B6 B7 K1 86.42(11) . 7_645
B8 B7 K1 74.12(11) . 7_645
B3 B7 K1 135.04(15) . 7_645
B4 B7 K1 111.04(12) . 7_645
B2 B8 B7 107.81(18) . .
B2 B8 B4 107.67(17) . .
B7 B8 B4 60.32(13) . .
B2 B8 B5 59.68(17) . .
B7 B8 B5 107.82(17) . .
B4 B8 B5 59.73(15) . .
B2 B8 B6 60.54(16) . .
B7 B8 B6 59.49(13) . .
B4 B8 B6 108.02(16) . .
B5 B8 B6 108.12(18) . .
B2 B8 K1 134.65(16) . 7_645
B7 B8 K1 75.80(11) . 7_645
B4 B8 K1 112.34(12) . 7_645
B5 B8 K1 164.32(16) . 7_645
B6 B8 K1 86.98(12) . 7_645
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O1 2.674(2) 1_556
K1 B2 3.280(4) .
K1 B8 3.409(2) 4_655
K1 B8 3.409(2) 7_645
K1 B7 3.436(2) 7_645
K1 B7 3.436(2) 4_655
K1 C2 3.486(3) 1_556
K1 B6 3.484(3) .
K1 B6 3.484(3) 6
O1 C2 1.232(4) .
O1 K1 2.674(2) 1_554
N1 C2 1.314(4) .
N1 C1 1.435(4) .
C1 B3 1.709(5) .
C1 B7 1.725(3) 6
C1 B7 1.725(3) .
C1 B4 1.727(3) .
C1 B4 1.727(3) 6
C2 K1 3.486(3) 1_554
B2 B5 1.773(5) .
B2 B8 1.777(3) .
B2 B8 1.777(3) 6
B2 B6 1.797(4) 6
B2 B6 1.797(4) .
B3 B6 1.778(3) .
B3 B6 1.778(3) 6
B3 B7 1.783(3) .
B3 B7 1.783(3) 6
B4 B5 1.776(3) .
B4 B8 1.781(3) .
B4 B7 1.787(3) .
B4 B4 1.801(5) 6
B5 B4 1.776(3) 6
B5 B8 1.786(3) 6
B5 B8 1.786(3) .
B6 B7 1.768(3) .
B6 B8 1.787(4) .
B6 B6 1.801(5) 6
B7 B8 1.776(3) .
B7 K1 3.436(2) 7_645
B8 K1 3.409(2) 7_645
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 N1 C1 B3 180.0 . .
C2 N1 C1 B7 -108.74(19) . 6
C2 N1 C1 B7 108.74(19) . .
C2 N1 C1 B4 36.66(14) . .
C2 N1 C1 B4 -36.66(14) . 6
K1 O1 C2 N1 180.0 1_554 .
C1 N1 C2 O1 180.0 . .
C1 N1 C2 K1 180.000(1) . 1_554
O1 K1 B2 B5 180.000(1) 1_556 .
B8 K1 B2 B5 -107.23(4) 4_655 .
B8 K1 B2 B5 107.23(4) 7_645 .
B7 K1 B2 B5 76.56(5) 7_645 .
B7 K1 B2 B5 -76.56(5) 4_655 .
C2 K1 B2 B5 0.0 1_556 .
B6 K1 B2 B5 149.50(9) . .
B6 K1 B2 B5 -149.50(9) 6 .
O1 K1 B2 B8 75.67(18) 1_556 .
B8 K1 B2 B8 148.44(16) 4_655 .
B8 K1 B2 B8 2.9(2) 7_645 .
B7 K1 B2 B8 -27.8(2) 7_645 .
B7 K1 B2 B8 179.11(17) 4_655 .
C2 K1 B2 B8 -104.33(18) 1_556 .
B6 K1 B2 B8 45.17(16) . .
B6 K1 B2 B8 106.2(2) 6 .
O1 K1 B2 B8 -75.67(18) 1_556 6
B8 K1 B2 B8 -2.9(2) 4_655 6
B8 K1 B2 B8 -148.44(16) 7_645 6
B7 K1 B2 B8 -179.11(17) 7_645 6
B7 K1 B2 B8 27.8(2) 4_655 6
C2 K1 B2 B8 104.33(18) 1_556 6
B6 K1 B2 B8 -106.2(2) . 6
B6 K1 B2 B8 -45.17(16) 6 6
O1 K1 B2 B6 -30.50(9) 1_556 6
B8 K1 B2 B6 42.27(11) 4_655 6
B8 K1 B2 B6 -103.28(10) 7_645 6
B7 K1 B2 B6 -133.94(10) 7_645 6
B7 K1 B2 B6 72.94(11) 4_655 6
C2 K1 B2 B6 149.50(9) 1_556 6
B6 K1 B2 B6 -61.01(19) . 6
O1 K1 B2 B6 30.50(9) 1_556 .
B8 K1 B2 B6 103.28(10) 4_655 .
B8 K1 B2 B6 -42.27(11) 7_645 .
B7 K1 B2 B6 -72.94(11) 7_645 .
B7 K1 B2 B6 133.94(10) 4_655 .
C2 K1 B2 B6 -149.50(9) 1_556 .
B6 K1 B2 B6 61.01(19) 6 .
N1 C1 B3 B6 -148.36(11) . .
B7 C1 B3 B6 102.67(17) 6 .
B7 C1 B3 B6 -39.39(13) . .
B4 C1 B3 B6 -3.24(18) . .
B4 C1 B3 B6 66.52(14) 6 .
N1 C1 B3 B6 148.36(11) . 6
B7 C1 B3 B6 39.39(13) 6 6
B7 C1 B3 B6 -102.67(17) . 6
B4 C1 B3 B6 -66.52(14) . 6
B4 C1 B3 B6 3.24(18) 6 6
N1 C1 B3 B7 -108.97(11) . .
B7 C1 B3 B7 142.1(2) 6 .
B4 C1 B3 B7 36.15(14) . .
B4 C1 B3 B7 105.91(18) 6 .
N1 C1 B3 B7 108.97(11) . 6
B7 C1 B3 B7 -142.1(2) . 6
B4 C1 B3 B7 -105.91(18) . 6
B4 C1 B3 B7 -36.15(14) 6 6
N1 C1 B4 B5 -149.79(17) . .
B3 C1 B4 B5 66.13(19) . .
B7 C1 B4 B5 -3.3(3) 6 .
B7 C1 B4 B5 102.35(18) . .
B4 C1 B4 B5 -39.8(2) 6 .
N1 C1 B4 B8 147.79(17) . .
B3 C1 B4 B8 3.71(19) . .
B7 C1 B4 B8 -65.7(2) 6 .
B7 C1 B4 B8 39.93(15) . .
B4 C1 B4 B8 -102.27(14) 6 .
N1 C1 B4 B7 107.86(17) . .
B3 C1 B4 B7 -36.22(14) . .
B7 C1 B4 B7 -105.6(2) 6 .
B4 C1 B4 B7 -142.20(14) 6 .
N1 C1 B4 B4 -109.94(19) . 6
B3 C1 B4 B4 105.98(15) . 6
B7 C1 B4 B4 36.56(12) 6 6
B7 C1 B4 B4 142.20(14) . 6
C1 B4 B5 B4 39.37(19) . 6
B8 B4 B5 B4 138.21(15) . 6
B7 B4 B5 B4 100.67(14) . 6
C1 B4 B5 B2 -61.70(18) . .
B8 B4 B5 B2 37.14(14) . .
B7 B4 B5 B2 -0.40(18) . .
B4 B4 B5 B2 -101.07(14) 6 .
C1 B4 B5 B8 1.8(2) . 6
B8 B4 B5 B8 100.7(3) . 6
B7 B4 B5 B8 63.1(2) . 6
B4 B4 B5 B8 -37.56(12) 6 6
C1 B4 B5 B8 -98.84(18) . .
B7 B4 B5 B8 -37.54(15) . .
B4 B4 B5 B8 -138.21(15) 6 .
B8 B2 B5 B4 -37.18(14) . .
B8 B2 B5 B4 101.63(18) 6 .
B6 B2 B5 B4 64.09(14) 6 .
B6 B2 B5 B4 0.36(17) . .
K1 B2 B5 B4 -147.78(11) . .
B8 B2 B5 B4 -101.63(18) . 6
B8 B2 B5 B4 37.18(14) 6 6
B6 B2 B5 B4 -0.36(17) 6 6
B6 B2 B5 B4 -64.09(14) . 6
K1 B2 B5 B4 147.78(11) . 6
B8 B2 B5 B8 -138.8(2) . 6
B6 B2 B5 B8 -37.54(14) 6 6
B6 B2 B5 B8 -101.27(18) . 6
K1 B2 B5 B8 110.59(12) . 6
B8 B2 B5 B8 138.8(2) 6 .
B6 B2 B5 B8 101.27(18) 6 .
B6 B2 B5 B8 37.54(14) . .
K1 B2 B5 B8 -110.59(12) . .
C1 B3 B6 B7 39.22(13) . .
B6 B3 B6 B7 138.33(15) 6 .
B7 B3 B6 B7 101.2(2) 6 .
C1 B3 B6 B8 1.37(18) . .
B6 B3 B6 B8 100.48(16) 6 .
B7 B3 B6 B8 -37.85(16) . .
B7 B3 B6 B8 63.3(2) 6 .
C1 B3 B6 B2 -61.3(2) . .
B6 B3 B6 B2 37.8(2) 6 .
B7 B3 B6 B2 -100.5(2) . .
B7 B3 B6 B2 0.7(3) 6 .
C1 B3 B6 B6 -99.12(13) . 6
B7 B3 B6 B6 -138.33(15) . 6
B7 B3 B6 B6 -37.14(11) 6 6
C1 B3 B6 K1 -136.70(13) . .
B6 B3 B6 K1 -37.6(2) 6 .
B7 B3 B6 K1 -175.92(18) . .
B7 B3 B6 K1 -74.7(2) 6 .
B5 B2 B6 B7 -0.18(19) . .
B8 B2 B6 B7 37.54(16) . .
B8 B2 B6 B7 -64.2(2) 6 .
B6 B2 B6 B7 -101.20(15) 6 .
K1 B2 B6 B7 174.08(14) . .
B5 B2 B6 B3 63.4(2) . .
B8 B2 B6 B3 101.08(19) . .
B8 B2 B6 B3 -0.6(3) 6 .
B6 B2 B6 B3 -37.7(2) 6 .
K1 B2 B6 B3 -122.38(17) . .
B5 B2 B6 B8 -37.71(14) . .
B8 B2 B6 B8 -101.7(3) 6 .
B6 B2 B6 B8 -138.74(15) 6 .
K1 B2 B6 B8 136.54(12) . .
B5 B2 B6 B6 101.02(14) . 6
B8 B2 B6 B6 138.74(15) . 6
B8 B2 B6 B6 37.02(12) 6 6
K1 B2 B6 B6 -84.72(9) . 6
B5 B2 B6 K1 -174.26(11) . .
B8 B2 B6 K1 -136.54(12) . .
B8 B2 B6 K1 121.74(18) 6 .
B6 B2 B6 K1 84.72(9) 6 .
O1 K1 B6 B7 134.5(12) 1_556 .
B2 K1 B6 B7 -53.5(11) . .
B8 K1 B6 B7 -138.5(12) 4_655 .
B8 K1 B6 B7 84.5(12) 7_645 .
B7 K1 B6 B7 60.1(12) 7_645 .
B7 K1 B6 B7 -112.6(12) 4_655 .
C2 K1 B6 B7 117.4(12) 1_556 .
B6 K1 B6 B7 -116.6(12) 6 .
O1 K1 B6 B3 -75.91(19) 1_556 .
B2 K1 B6 B3 96.1(2) . .
B8 K1 B6 B3 11.12(19) 4_655 .
B8 K1 B6 B3 -125.83(18) 7_645 .
B7 K1 B6 B3 -150.28(17) 7_645 .
B7 K1 B6 B3 37.0(2) 4_655 .
C2 K1 B6 B3 -93.0(2) 1_556 .
B6 K1 B6 B3 32.98(18) 6 .
O1 K1 B6 B8 147.86(11) 1_556 .
B2 K1 B6 B8 -40.13(12) . .
B8 K1 B6 B8 -125.11(14) 4_655 .
B8 K1 B6 B8 97.94(14) 7_645 .
B7 K1 B6 B8 73.49(14) 7_645 .
B7 K1 B6 B8 -99.19(14) 4_655 .
C2 K1 B6 B8 130.80(15) 1_556 .
B6 K1 B6 B8 -103.25(13) 6 .
O1 K1 B6 B2 -172.01(7) 1_556 .
B8 K1 B6 B2 -84.98(10) 4_655 .
B8 K1 B6 B2 138.07(10) 7_645 .
B7 K1 B6 B2 113.62(10) 7_645 .
B7 K1 B6 B2 -59.06(12) 4_655 .
C2 K1 B6 B2 170.93(10) 1_556 .
B6 K1 B6 B2 -63.12(9) 6 .
O1 K1 B6 B6 -108.89(6) 1_556 6
B2 K1 B6 B6 63.12(9) . 6
B8 K1 B6 B6 -21.86(5) 4_655 6
B8 K1 B6 B6 -158.81(4) 7_645 6
B7 K1 B6 B6 176.74(4) 7_645 6
B7 K1 B6 B6 4.06(6) 4_655 6
C2 K1 B6 B6 -125.96(13) 1_556 6
N1 C1 B7 B6 146.7(2) . .
B3 C1 B7 B6 39.61(17) . .
B7 C1 B7 B6 2.9(3) 6 .
B4 C1 B7 B6 -103.01(17) . .
B4 C1 B7 B6 -66.3(2) 6 .
N1 C1 B7 B8 -150.4(2) . .
B3 C1 B7 B8 102.50(19) . .
B7 C1 B7 B8 65.8(3) 6 .
B4 C1 B7 B8 -40.12(16) . .
B4 C1 B7 B8 -3.4(2) 6 .
N1 C1 B7 B3 107.1(3) . .
B7 C1 B7 B3 -36.7(2) 6 .
B4 C1 B7 B3 -142.62(19) . .
B4 C1 B7 B3 -105.9(2) 6 .
N1 C1 B7 B4 -110.3(2) . .
B3 C1 B7 B4 142.62(19) . .
B7 C1 B7 B4 105.9(2) 6 .
B4 C1 B7 B4 36.74(16) 6 .
N1 C1 B7 K1 -66.8(7) . 7_645
B3 C1 B7 K1 -173.9(6) . 7_645
B7 C1 B7 K1 149.4(4) 6 7_645
B4 C1 B7 K1 43.5(6) . 7_645
B4 C1 B7 K1 80.3(6) 6 7_645
B3 B6 B7 C1 -38.73(17) . .
B8 B6 B7 C1 98.86(18) . .
B2 B6 B7 C1 61.6(2) . .
B6 B6 B7 C1 -1.66(16) 6 .
K1 B6 B7 C1 113.1(12) . .
B3 B6 B7 B8 -137.60(18) . .
B2 B6 B7 B8 -37.31(14) . .
B6 B6 B7 B8 -100.52(11) 6 .
K1 B6 B7 B8 14.2(12) . .
B8 B6 B7 B3 137.60(18) . .
B2 B6 B7 B3 100.28(18) . .
B6 B6 B7 B3 37.07(12) 6 .
K1 B6 B7 B3 151.8(12) . .
B3 B6 B7 B4 -100.36(18) . .
B8 B6 B7 B4 37.24(15) . .
B2 B6 B7 B4 -0.1(2) . .
B6 B6 B7 B4 -63.28(14) 6 .
K1 B6 B7 B4 51.5(12) . .
B3 B6 B7 K1 148.64(14) . 7_645
B8 B6 B7 K1 -73.77(11) . 7_645
B2 B6 B7 K1 -111.08(13) . 7_645
B6 B6 B7 K1 -174.29(4) 6 7_645
K1 B6 B7 K1 -59.5(12) . 7_645
B6 B3 B7 C1 134.69(18) . .
B6 B3 B7 C1 97.0(2) 6 .
B7 B3 B7 C1 33.9(2) 6 .
C1 B3 B7 B6 -134.69(18) . .
B6 B3 B7 B6 -37.72(17) 6 .
B7 B3 B7 B6 -100.8(2) 6 .
C1 B3 B7 B8 -96.51(19) . .
B6 B3 B7 B8 38.19(17) . .
B6 B3 B7 B8 0.5(2) 6 .
B7 B3 B7 B8 -62.7(3) 6 .
C1 B3 B7 B4 -33.09(17) . .
B6 B3 B7 B4 101.61(18) . .
B6 B3 B7 B4 63.9(2) 6 .
B7 B3 B7 B4 0.8(3) 6 .
C1 B3 B7 K1 178.0(2) . 7_645
B6 B3 B7 K1 -47.32(19) . 7_645
B6 B3 B7 K1 -85.0(2) 6 7_645
B7 B3 B7 K1 -148.16(10) 6 7_645
B5 B4 B7 C1 -96.19(16) . .
B8 B4 B7 C1 -133.98(17) . .
B4 B4 B7 C1 -33.33(12) 6 .
C1 B4 B7 B6 96.49(18) . .
B5 B4 B7 B6 0.3(2) . .
B8 B4 B7 B6 -37.49(15) . .
B4 B4 B7 B6 63.16(14) 6 .
C1 B4 B7 B8 133.98(17) . .
B5 B4 B7 B8 37.79(14) . .
B4 B4 B7 B8 100.65(11) 6 .
C1 B4 B7 B3 32.86(17) . .
B5 B4 B7 B3 -63.3(2) . .
B8 B4 B7 B3 -101.12(19) . .
B4 B4 B7 B3 -0.47(17) 6 .
C1 B4 B7 K1 -170.14(15) . 7_645
B5 B4 B7 K1 93.67(14) . 7_645
B8 B4 B7 K1 55.88(12) . 7_645
B4 B4 B7 K1 156.53(5) 6 7_645
B5 B2 B8 B7 100.6(2) . .
B8 B2 B8 B7 63.4(3) 6 .
B6 B2 B8 B7 -0.4(3) 6 .
B6 B2 B8 B7 -37.45(16) . .
K1 B2 B8 B7 -91.41(19) . .
B5 B2 B8 B4 36.96(18) . .
B8 B2 B8 B4 -0.3(3) 6 .
B6 B2 B8 B4 -64.0(2) 6 .
B6 B2 B8 B4 -101.12(17) . .
K1 B2 B8 B4 -155.09(14) . .
B8 B2 B8 B5 -37.3(2) 6 .
B6 B2 B8 B5 -101.0(2) 6 .
B6 B2 B8 B5 -138.08(19) . .
K1 B2 B8 B5 168.0(2) . .
B5 B2 B8 B6 138.08(19) . .
B8 B2 B8 B6 100.8(2) 6 .
B6 B2 B8 B6 37.09(17) 6 .
K1 B2 B8 B6 -53.96(17) . .
B5 B2 B8 K1 -171.9(2) . 7_645
B8 B2 B8 K1 150.81(10) 6 7_645
B6 B2 B8 K1 87.1(2) 6 7_645
B6 B2 B8 K1 50.0(2) . 7_645
K1 B2 B8 K1 -4.0(3) . 7_645
C1 B7 B8 B2 -61.0(2) . .
B6 B7 B8 B2 37.92(18) . .
B3 B7 B8 B2 -0.1(2) . .
B4 B7 B8 B2 -100.60(19) . .
K1 B7 B8 B2 132.85(17) 7_645 .
C1 B7 B8 B4 39.57(16) . .
B6 B7 B8 B4 138.51(17) . .
B3 B7 B8 B4 100.53(18) . .
K1 B7 B8 B4 -126.55(12) 7_645 .
C1 B7 B8 B5 2.0(2) . .
B6 B7 B8 B5 100.9(2) . .
B3 B7 B8 B5 63.0(2) . .
B4 B7 B8 B5 -37.57(17) . .
K1 B7 B8 B5 -164.12(17) 7_645 .
C1 B7 B8 B6 -98.94(18) . .
B3 B7 B8 B6 -37.98(17) . .
B4 B7 B8 B6 -138.51(17) . .
K1 B7 B8 B6 94.94(12) 7_645 .
C1 B7 B8 K1 166.12(15) . 7_645
B6 B7 B8 K1 -94.94(12) . 7_645
B3 B7 B8 K1 -132.92(16) . 7_645
B4 B7 B8 K1 126.55(12) . 7_645
C1 B4 B8 B2 61.4(2) . .
B5 B4 B8 B2 -36.94(18) . .
B7 B4 B8 B2 100.8(2) . .
B4 B4 B8 B2 0.18(18) 6 .
C1 B4 B8 B7 -39.48(14) . .
B5 B4 B8 B7 -137.76(18) . .
B4 B4 B8 B7 -100.64(11) 6 .
C1 B4 B8 B5 98.29(17) . .
B7 B4 B8 B5 137.76(18) . .
B4 B4 B8 B5 37.12(13) 6 .
C1 B4 B8 B6 -2.6(2) . .
B5 B4 B8 B6 -100.88(19) . .
B7 B4 B8 B6 36.88(15) . .
B4 B4 B8 B6 -63.76(15) 6 .
C1 B4 B8 K1 -96.83(13) . 7_645
B5 B4 B8 K1 164.88(16) . 7_645
B7 B4 B8 K1 -57.35(12) . 7_645
B4 B4 B8 K1 -158.00(6) 6 7_645
B4 B5 B8 B2 138.45(19) . .
B4 B5 B8 B2 100.5(2) 6 .
B8 B5 B8 B2 36.9(2) 6 .
B4 B5 B8 B7 37.84(17) . .
B4 B5 B8 B7 -0.1(3) 6 .
B2 B5 B8 B7 -100.6(2) . .
B8 B5 B8 B7 -63.8(3) 6 .
B4 B5 B8 B4 -37.95(16) 6 .
B2 B5 B8 B4 -138.45(19) . .
B8 B5 B8 B4 -101.6(2) 6 .
B4 B5 B8 B6 100.71(17) . .
B4 B5 B8 B6 62.8(2) 6 .
B2 B5 B8 B6 -37.74(18) . .
B8 B5 B8 B6 -0.9(3) 6 .
B4 B5 B8 K1 -63.2(5) . 7_645
B4 B5 B8 K1 -101.2(5) 6 7_645
B2 B5 B8 K1 158.3(5) . 7_645
B8 B5 B8 K1 -164.8(4) 6 7_645
B7 B6 B8 B2 -137.78(18) . .
B3 B6 B8 B2 -99.74(18) . .
B6 B6 B8 B2 -36.82(13) 6 .
K1 B6 B8 B2 44.10(14) . .
B3 B6 B8 B7 38.04(14) . .
B2 B6 B8 B7 137.78(18) . .
B6 B6 B8 B7 100.96(11) 6 .
K1 B6 B8 B7 -178.12(15) . .
B7 B6 B8 B4 -37.24(15) . .
B3 B6 B8 B4 0.8(2) . .
B2 B6 B8 B4 100.53(19) . .
B6 B6 B8 B4 63.72(15) 6 .
K1 B6 B8 B4 144.63(13) . .
B7 B6 B8 B5 -100.42(19) . .
B3 B6 B8 B5 -62.4(2) . .
B2 B6 B8 B5 37.36(18) . .
B6 B6 B8 B5 0.54(18) 6 .
K1 B6 B8 B5 81.46(18) . .
B7 B6 B8 K1 75.29(11) . 7_645
B3 B6 B8 K1 113.33(13) . 7_645
B2 B6 B8 K1 -146.93(14) . 7_645
B6 B6 B8 K1 176.25(3) 6 7_645
K1 B6 B8 K1 -102.84(9) . 7_645
