#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:26:16 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179790 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/86/7008611.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_7008611
loop_
_publ_author_name
'Baker, Robert J.'
'Jones, Cameron'
'Kloth, Marc'
_publ_section_title
;
 Oxidation reactions of an anionic gallium(I) N-heterocyclic carbene
 analogue with group 16 compounds.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2106
_journal_page_last               2110
_journal_paper_doi               10.1039/b505085e
_journal_year                    2005
_chemical_formula_sum            'C60 H88 Ga2 K2 N4 O2 Te2'
_chemical_formula_weight         1370.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 103.22(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.084(2)
_cell_length_b                   21.762(4)
_cell_length_c                   12.374(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3167.8(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0720
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19176
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         3.46
_exptl_absorpt_coefficient_mu    1.926
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.0027(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5675
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0493
_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)+(0.0229P)²+4.8876P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1052
_reflns_number_gt                4518
_reflns_number_total             5675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b505085e.txt
_cod_data_source_block           compound_3
_cod_original_cell_volume        3167.8(11)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7008611
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Te1 Te 0.83984(3) 0.026097(14) 0.48652(3) 0.03897(15) Uani 1 1 d . . .
Ga1 Ga 0.99255(4) 0.02218(2) 0.36647(4) 0.03367(16) Uani 1 1 d . . .
K1 K 0.72804(11) -0.11801(6) 0.38920(10) 0.0537(3) Uani 1 1 d . . .
O1 O 0.5065(4) -0.1453(2) 0.3583(4) 0.0766(13) Uani 1 1 d . . .
N1 N 1.0455(3) 0.09245(17) 0.2973(3) 0.0370(9) Uani 1 1 d . . .
N2 N 0.9419(3) -0.01219(16) 0.2207(3) 0.0348(9) Uani 1 1 d . . .
C1 C 1.0292(4) 0.0805(2) 0.1843(4) 0.0385(11) Uani 1 1 d . . .
H1 H 1.0570 0.1079 0.1369 0.046 Uiso 1 1 calc R . .
C2 C 0.9734(4) 0.0294(2) 0.1442(4) 0.0396(11) Uani 1 1 d . . .
H2 H 0.9552 0.0211 0.0668 0.048 Uiso 1 1 calc R . .
C3 C 1.1130(4) 0.1415(2) 0.3480(4) 0.0372(11) Uani 1 1 d . . .
C4 C 1.2290(4) 0.1472(2) 0.3451(4) 0.0416(12) Uani 1 1 d . . .
C5 C 1.2909(5) 0.1971(2) 0.3988(5) 0.0492(13) Uani 1 1 d . . .
H5 H 1.3682 0.2017 0.3953 0.059 Uiso 1 1 calc R . .
C6 C 1.2425(5) 0.2401(2) 0.4571(4) 0.0493(13) Uani 1 1 d . . .
H6 H 1.2869 0.2727 0.4955 0.059 Uiso 1 1 calc R . .
C7 C 1.1283(5) 0.2346(2) 0.4585(4) 0.0469(12) Uani 1 1 d . . .
H7 H 1.0947 0.2640 0.4980 0.056 Uiso 1 1 calc R . .
C8 C 1.0623(4) 0.1871(2) 0.4035(4) 0.0421(12) Uani 1 1 d . . .
C9 C 1.2870(4) 0.1005(2) 0.2856(5) 0.0475(13) Uani 1 1 d . . .
H9 H 1.2329 0.0656 0.2623 0.057 Uiso 1 1 calc R . .
C10 C 1.3941(5) 0.0746(3) 0.3606(6) 0.0637(16) Uani 1 1 d . . .
H10A H 1.4456 0.1084 0.3909 0.096 Uiso 1 1 calc R . .
H10B H 1.4318 0.0470 0.3177 0.096 Uiso 1 1 calc R . .
H10C H 1.3740 0.0517 0.4216 0.096 Uiso 1 1 calc R . .
C11 C 1.3134(5) 0.1287(3) 0.1794(5) 0.0639(16) Uani 1 1 d . . .
H11A H 1.2440 0.1466 0.1336 0.096 Uiso 1 1 calc R . .
H11B H 1.3417 0.0965 0.1372 0.096 Uiso 1 1 calc R . .
H11C H 1.3713 0.1607 0.2002 0.096 Uiso 1 1 calc R . .
C12 C 0.9328(4) 0.1864(2) 0.3889(4) 0.0460(12) Uani 1 1 d . . .
H12 H 0.9090 0.1423 0.3862 0.055 Uiso 1 1 calc R . .
C13 C 0.8782(5) 0.2145(3) 0.2759(5) 0.0552(14) Uani 1 1 d . . .
H13A H 0.7952 0.2135 0.2647 0.083 Uiso 1 1 calc R . .
H13B H 0.9008 0.1909 0.2171 0.083 Uiso 1 1 calc R . .
H13C H 0.9035 0.2572 0.2735 0.083 Uiso 1 1 calc R . .
C14 C 0.8911(5) 0.2162(3) 0.4831(5) 0.0560(14) Uani 1 1 d . . .
H14A H 0.9241 0.1948 0.5527 0.084 Uiso 1 1 calc R . .
H14B H 0.8080 0.2135 0.4679 0.084 Uiso 1 1 calc R . .
H14C H 0.9142 0.2594 0.4894 0.084 Uiso 1 1 calc R . .
C15 C 0.8385(4) -0.0447(2) 0.1832(4) 0.0354(10) Uani 1 1 d . . .
C16 C 0.8432(4) -0.1095(2) 0.1777(4) 0.0392(11) Uani 1 1 d . . .
C17 C 0.7413(4) -0.1422(2) 0.1424(4) 0.0459(12) Uani 1 1 d . . .
H17 H 0.7436 -0.1858 0.1382 0.055 Uiso 1 1 calc R . .
C18 C 0.6376(5) -0.1125(3) 0.1135(5) 0.0536(14) Uani 1 1 d . . .
H18 H 0.5693 -0.1354 0.0911 0.064 Uiso 1 1 calc R . .
C19 C 0.6343(4) -0.0489(2) 0.1178(5) 0.0480(13) Uani 1 1 d . . .
H19 H 0.5631 -0.0285 0.0964 0.058 Uiso 1 1 calc R . .
C20 C 0.7329(4) -0.0141(2) 0.1527(4) 0.0424(12) Uani 1 1 d . . .
C21 C 0.9562(4) -0.1431(2) 0.2039(4) 0.0429(12) Uani 1 1 d . . .
H21 H 1.0053 -0.1234 0.2710 0.052 Uiso 1 1 calc R . .
C22 C 1.0158(5) -0.1358(3) 0.1076(5) 0.0595(15) Uani 1 1 d . . .
H22A H 0.9679 -0.1533 0.0399 0.089 Uiso 1 1 calc R . .
H22B H 1.0889 -0.1574 0.1255 0.089 Uiso 1 1 calc R . .
H22C H 1.0286 -0.0921 0.0958 0.089 Uiso 1 1 calc R . .
C23 C 0.9486(5) -0.2117(2) 0.2285(5) 0.0551(14) Uani 1 1 d . . .
H23A H 0.9057 -0.2174 0.2860 0.083 Uiso 1 1 calc R . .
H23B H 1.0254 -0.2285 0.2545 0.083 Uiso 1 1 calc R . .
H23C H 0.9100 -0.2332 0.1607 0.083 Uiso 1 1 calc R . .
C24 C 0.7238(4) 0.0554(2) 0.1525(5) 0.0461(12) Uani 1 1 d . . .
H24 H 0.7976 0.0721 0.1963 0.055 Uiso 1 1 calc R . .
C25 C 0.7054(5) 0.0803(3) 0.0337(5) 0.0618(16) Uani 1 1 d . . .
H25A H 0.7665 0.0657 0.0000 0.093 Uiso 1 1 calc R . .
H25B H 0.7059 0.1254 0.0355 0.093 Uiso 1 1 calc R . .
H25C H 0.6320 0.0659 -0.0104 0.093 Uiso 1 1 calc R . .
C26 C 0.6292(5) 0.0787(3) 0.2061(5) 0.0594(15) Uani 1 1 d . . .
H26A H 0.5557 0.0632 0.1643 0.089 Uiso 1 1 calc R . .
H26B H 0.6284 0.1237 0.2053 0.089 Uiso 1 1 calc R . .
H26C H 0.6431 0.0641 0.2830 0.089 Uiso 1 1 calc R . .
C27 C 0.4347(7) -0.0938(4) 0.3240(7) 0.092(2) Uani 1 1 d . . .
H27A H 0.4618 -0.0700 0.2669 0.111 Uiso 1 1 calc R . .
H27B H 0.4348 -0.0665 0.3880 0.111 Uiso 1 1 calc R . .
C28 C 0.3193(7) -0.1173(5) 0.2781(8) 0.106(3) Uani 1 1 d . . .
H28A H 0.2607 -0.0888 0.2929 0.127 Uiso 1 1 calc R . .
H28B H 0.3061 -0.1245 0.1972 0.127 Uiso 1 1 calc R . .
C29 C 0.3201(8) -0.1751(6) 0.3388(9) 0.132(4) Uani 1 1 d . . .
H29A H 0.2853 -0.1688 0.4031 0.159 Uiso 1 1 calc R . .
H29B H 0.2752 -0.2065 0.2898 0.159 Uiso 1 1 calc R . .
C30 C 0.4351(7) -0.1954(4) 0.3764(9) 0.103(3) Uani 1 1 d . . .
H30A H 0.4491 -0.2321 0.3341 0.123 Uiso 1 1 calc R . .
H30B H 0.4509 -0.2061 0.4562 0.123 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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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'
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
_geom_angle_publ_flag
Ga1 Te1 Ga1 81.23(2) 3_756 . ?
Ga1 Te1 K1 93.19(3) 3_756 . ?
Ga1 Te1 K1 92.41(3) . . ?
N2 Ga1 N1 87.66(16) . . ?
N2 Ga1 Te1 121.84(11) . 3_756 ?
N1 Ga1 Te1 110.11(12) . 3_756 ?
N2 Ga1 Te1 115.50(11) . . ?
N1 Ga1 Te1 124.95(11) . . ?
Te1 Ga1 Te1 98.77(2) 3_756 . ?
O1 K1 C17 95.48(15) . . ?
O1 K1 C5 74.99(15) . 3_756 ?
C17 K1 C5 137.66(14) . 3_756 ?
O1 K1 C16 119.76(15) . . ?
C17 K1 C16 25.33(12) . . ?
C5 K1 C16 145.16(14) 3_756 . ?
O1 K1 C6 82.80(15) . 3_756 ?
C17 K1 C6 114.24(14) . 3_756 ?
C5 K1 C6 24.97(13) 3_756 3_756 ?
C16 K1 C6 120.77(13) . 3_756 ?
O1 K1 C4 91.40(15) . 3_756 ?
C17 K1 C4 156.00(14) . 3_756 ?
C5 K1 C4 24.94(13) 3_756 3_756 ?
C16 K1 C4 145.55(13) . 3_756 ?
C6 K1 C4 43.93(13) 3_756 3_756 ?
O1 K1 C18 77.25(15) . . ?
C17 K1 C18 24.41(13) . . ?
C5 K1 C18 142.37(14) 3_756 . ?
C16 K1 C18 43.33(13) . . ?
C6 K1 C18 126.59(14) 3_756 . ?
C4 K1 C18 166.86(13) 3_756 . ?
O1 K1 C7 106.34(14) . 3_756 ?
C17 K1 C7 106.35(14) . 3_756 ?
C5 K1 C7 42.56(13) 3_756 3_756 ?
C16 K1 C7 103.40(13) . 3_756 ?
C6 K1 C7 24.06(13) 3_756 3_756 ?
C4 K1 C7 49.69(13) 3_756 3_756 ?
C18 K1 C7 126.96(14) . 3_756 ?
O1 K1 C3 115.36(14) . 3_756 ?
C17 K1 C3 139.31(13) . 3_756 ?
C5 K1 C3 42.82(12) 3_756 3_756 ?
C16 K1 C3 121.74(12) . 3_756 ?
C6 K1 C3 49.89(12) 3_756 3_756 ?
C4 K1 C3 24.31(11) 3_756 3_756 ?
C18 K1 C3 163.68(13) . 3_756 ?
C7 K1 C3 41.76(12) 3_756 3_756 ?
O1 K1 C8 122.70(13) . 3_756 ?
C17 K1 C8 116.78(13) . 3_756 ?
C5 K1 C8 48.89(13) 3_756 3_756 ?
C16 K1 C8 104.10(12) . 3_756 ?
C6 K1 C8 41.79(13) 3_756 3_756 ?
C4 K1 C8 42.21(12) 3_756 3_756 ?
C18 K1 C8 140.92(13) . 3_756 ?
C7 K1 C8 23.08(12) 3_756 3_756 ?
C3 K1 C8 23.68(11) 3_756 3_756 ?
O1 K1 Te1 122.59(11) . . ?
C17 K1 Te1 112.43(10) . . ?
C5 K1 Te1 107.08(10) 3_756 . ?
C16 K1 Te1 91.35(9) . . ?
C6 K1 Te1 123.25(10) 3_756 . ?
C4 K1 Te1 82.45(9) 3_756 . ?
C18 K1 Te1 109.15(10) . . ?
C7 K1 Te1 111.65(10) 3_756 . ?
C3 K1 Te1 73.70(8) 3_756 . ?
C8 K1 Te1 88.59(9) 3_756 . ?
O1 K1 C15 121.89(14) . . ?
C17 K1 C15 42.17(12) . . ?
C5 K1 C15 162.01(13) 3_756 . ?
C16 K1 C15 23.69(11) . . ?
C6 K1 C15 142.02(13) 3_756 . ?
C4 K1 C15 144.77(12) 3_756 . ?
C18 K1 C15 48.16(12) . . ?
C7 K1 C15 120.71(12) 3_756 . ?
C3 K1 C15 122.26(11) 3_756 . ?
C8 K1 C15 113.22(11) 3_756 . ?
Te1 K1 C15 70.37(8) . . ?
C27 O1 C30 107.3(5) . . ?
C27 O1 K1 112.9(4) . . ?
C30 O1 K1 139.4(4) . . ?
C1 N1 C3 121.8(4) . . ?
C1 N1 Ga1 108.2(3) . . ?
C3 N1 Ga1 128.5(3) . . ?
C15 N2 C2 116.7(4) . . ?
C15 N2 Ga1 124.8(3) . . ?
C2 N2 Ga1 107.5(3) . . ?
C2 C1 N1 118.2(4) . . ?
C1 C2 N2 118.2(4) . . ?
N1 C3 C4 122.2(4) . . ?
N1 C3 C8 118.5(4) . . ?
C4 C3 C8 119.3(4) . . ?
N1 C3 K1 117.0(3) . 3_756 ?
C4 C3 K1 72.1(3) . 3_756 ?
C8 C3 K1 81.7(3) . 3_756 ?
C5 C4 C3 118.8(5) . . ?
C5 C4 C9 119.6(4) . . ?
C3 C4 C9 121.6(4) . . ?
C5 C4 K1 74.2(3) . 3_756 ?
C3 C4 K1 83.6(3) . 3_756 ?
C9 C4 K1 111.9(3) . 3_756 ?
C6 C5 C4 121.8(5) . . ?
C6 C5 K1 79.5(3) . 3_756 ?
C4 C5 K1 80.8(3) . 3_756 ?
C7 C6 C5 119.1(5) . . ?
C7 C6 K1 84.2(3) . 3_756 ?
C5 C6 K1 75.5(3) . 3_756 ?
C8 C7 C6 121.3(5) . . ?
C8 C7 K1 83.1(3) . 3_756 ?
C6 C7 K1 71.8(3) . 3_756 ?
C7 C8 C3 119.6(5) . . ?
C7 C8 C12 121.5(4) . . ?
C3 C8 C12 118.5(4) . . ?
C7 C8 K1 73.9(3) . 3_756 ?
C3 C8 K1 74.6(3) . 3_756 ?
C12 C8 K1 129.0(3) . 3_756 ?
C4 C9 C10 112.1(5) . . ?
C4 C9 C11 110.8(4) . . ?
C10 C9 C11 110.7(4) . . ?
C14 C12 C13 112.4(4) . . ?
C14 C12 C8 114.5(5) . . ?
C13 C12 C8 108.6(4) . . ?
C20 C15 C16 120.1(4) . . ?
C20 C15 N2 121.7(4) . . ?
C16 C15 N2 118.1(4) . . ?
C20 C15 K1 86.5(3) . . ?
C16 C15 K1 67.0(3) . . ?
N2 C15 K1 116.1(3) . . ?
C17 C16 C15 118.6(5) . . ?
C17 C16 C21 120.4(4) . . ?
C15 C16 C21 120.9(4) . . ?
C17 C16 K1 73.4(3) . . ?
C15 C16 K1 89.3(3) . . ?
C21 C16 K1 109.4(3) . . ?
C18 C17 C16 121.5(5) . . ?
C18 C17 K1 85.8(3) . . ?
C16 C17 K1 81.3(3) . . ?
C17 C18 C19 119.4(5) . . ?
C17 C18 K1 69.7(3) . . ?
C19 C18 K1 90.2(4) . . ?
C18 C19 C20 121.6(5) . . ?
C19 C20 C15 118.8(4) . . ?
C19 C20 C24 119.0(5) . . ?
C15 C20 C24 122.2(4) . . ?
C16 C21 C23 114.9(4) . . ?
C16 C21 C22 110.1(4) . . ?
C23 C21 C22 108.3(4) . . ?
C20 C24 C26 113.0(4) . . ?
C20 C24 C25 110.5(5) . . ?
C26 C24 C25 109.7(5) . . ?
O1 C27 C28 107.4(7) . . ?
C29 C28 C27 102.0(7) . . ?
C30 C29 C28 108.8(7) . . ?
C29 C30 O1 106.8(7) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Te1 Ga1 2.6135(10) 3_756 ?
Te1 Ga1 2.6217(9) . ?
Te1 K1 3.5166(14) . ?
Ga1 N2 1.919(4) . ?
Ga1 N1 1.932(4) . ?
Ga1 Te1 2.6135(10) 3_756 ?
K1 O1 2.683(4) . ?
K1 C17 3.139(5) . ?
K1 C5 3.189(5) 3_756 ?
K1 C16 3.238(5) . ?
K1 C6 3.239(5) 3_756 ?
K1 C4 3.272(5) 3_756 ?
K1 C18 3.337(6) . ?
K1 C7 3.392(5) 3_756 ?
K1 C3 3.416(5) 3_756 ?
K1 C8 3.505(5) 3_756 ?
K1 C15 3.519(5) . ?
O1 C27 1.421(9) . ?
O1 C30 1.439(8) . ?
N1 C1 1.392(6) . ?
N1 C3 1.402(6) . ?
N2 C15 1.418(6) . ?
N2 C2 1.424(6) . ?
C1 C2 1.335(7) . ?
C3 C4 1.415(7) . ?
C3 C8 1.423(7) . ?
C3 K1 3.416(5) 3_756 ?
C4 C5 1.397(7) . ?
C4 C9 1.517(7) . ?
C4 K1 3.272(5) 3_756 ?
C5 C6 1.390(7) . ?
C5 K1 3.189(5) 3_756 ?
C6 C7 1.390(7) . ?
C6 K1 3.239(5) 3_756 ?
C7 C8 1.384(7) . ?
C7 K1 3.392(5) 3_756 ?
C8 C12 1.534(7) . ?
C8 K1 3.505(5) 3_756 ?
C9 C10 1.518(8) . ?
C9 C11 1.548(8) . ?
C12 C14 1.516(7) . ?
C12 C13 1.531(8) . ?
C15 C20 1.412(7) . ?
C15 C16 1.414(7) . ?
C16 C17 1.402(7) . ?
C16 C21 1.517(7) . ?
C17 C18 1.383(7) . ?
C18 C19 1.385(8) . ?
C19 C20 1.396(7) . ?
C20 C24 1.515(7) . ?
C21 C23 1.530(7) . ?
C21 C22 1.536(7) . ?
C24 C26 1.534(7) . ?
C24 C25 1.535(8) . ?
C27 C28 1.472(11) . ?
C28 C29 1.463(14) . ?
C29 C30 1.431(13) . ?
