#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:29:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179330 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/27/4322765.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_4322765
loop_
_publ_author_name
'William Clegg'
'Elaine K. Cope'
'Andrew J. Edwards'
'Francis S. Mair'
_publ_section_title
;
 Structural Characterization of
 [(2,6-Pri2C6H3)NC(Me)C(H)C(Me)N(2,6-Pri2C6H3)K.PhCH3]∞: A Heavy
 Alkali Metal Diazapentadienyl Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2317
_journal_page_last               2319
_journal_paper_doi               10.1021/ic970956j
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C36 H49 K N2'
_chemical_formula_weight         548.87
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 99.137(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6537(9)
_cell_length_b                   26.200(2)
_cell_length_c                   11.9055(10)
_cell_measurement_reflns_used    8285
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      1.90
_cell_volume                     3281.0(5)
_computing_cell_refinement       'local programs'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_structure_refinement  'SHELXL-96 (Sheldrick, 1996)'
_computing_structure_solution    'SHELXS-96 (Sheldrick, 1990)'
_diffrn_ambient_temperature      160(2)
_diffrn_measurement_device       'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0599
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20002
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.111
_exptl_crystal_description       block
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.636
_refine_diff_density_min         -0.360
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0028(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.024
_refine_ls_goodness_of_fit_obs   1.097
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         7507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_restrained_S_obs      1.097
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_obs          0.0639
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0587P)²+2.6330P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1604
_refine_ls_wR_factor_obs         0.1375
_reflns_number_observed          4901
_reflns_number_total             7507
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic970956j.cif
_cod_data_source_block           fsm09
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0587P)^2^+2.6330P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0587P)^2^+2.6330P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3280.9(5)
_cod_database_code               4322765
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
K1_a K 0.17998(6) 0.31703(2) 0.30611(4) 0.03422(17) Uani 1 d . 1
N1 N 0.18419(19) 0.40216(7) 0.18830(15) 0.0240(4) Uani 1 d . .
N2 N 0.15845(19) 0.30230(7) 0.07601(15) 0.0246(4) Uani 1 d . .
C1 C 0.5113(3) 0.43811(17) 0.2289(3) 0.0695(11) Uani 1 d . .
H1A H 0.5484 0.4669 0.2754 0.104 Uiso 1 calc R .
H1B H 0.4519 0.4510 0.1637 0.104 Uiso 1 calc R .
H1C H 0.5791 0.4187 0.2015 0.104 Uiso 1 calc R .
C2 C 0.5351(3) 0.37736(14) 0.3926(3) 0.0632(9) Uani 1 d . .
H2A H 0.5842 0.4034 0.4397 0.095 Uiso 1 calc R .
H2B H 0.5928 0.3559 0.3567 0.095 Uiso 1 calc R .
H2C H 0.4890 0.3562 0.4403 0.095 Uiso 1 calc R .
C3 C 0.4403(3) 0.40333(11) 0.3006(2) 0.0424(7) Uani 1 d . .
H3 H 0.3979 0.3760 0.2494 0.051 Uiso 1 calc R .
C4 C 0.3368(2) 0.43331(9) 0.3454(2) 0.0310(6) Uani 1 d . .
C5 C 0.3630(3) 0.46110(10) 0.4460(2) 0.0376(6) Uani 1 d . .
H5 H 0.4457 0.4596 0.4897 0.045 Uiso 1 calc R .
C6 C 0.2707(3) 0.49076(10) 0.4833(2) 0.0401(7) Uani 1 d . .
H6 H 0.2902 0.5097 0.5519 0.048 Uiso 1 calc R .
C7 C 0.1502(3) 0.49281(9) 0.4206(2) 0.0356(6) Uani 1 d . .
H7 H 0.0877 0.5138 0.4462 0.043 Uiso 1 calc R .
C8 C 0.1177(2) 0.46487(9) 0.32048(19) 0.0284(5) Uani 1 d . .
C9 C 0.2133(2) 0.43525(8) 0.28244(19) 0.0246(5) Uani 1 d . .
C10 C -0.0167(3) 0.46509(10) 0.2542(2) 0.0353(6) Uani 1 d . .
H10 H -0.0103 0.4605 0.1719 0.042 Uiso 1 calc R .
C11 C -0.0920(3) 0.41998(12) 0.2903(3) 0.0563(9) Uani 1 d . .
H11A H -0.0956 0.4224 0.3718 0.084 Uiso 1 calc R .
H11B H -0.0502 0.3880 0.2747 0.084 Uiso 1 calc R .
H11C H -0.1785 0.4206 0.2474 0.084 Uiso 1 calc R .
C12 C -0.0882(3) 0.51452(11) 0.2657(2) 0.0476(8) Uani 1 d . .
H12A H -0.1005 0.5189 0.3450 0.071 Uiso 1 calc R .
H12B H -0.1711 0.5132 0.2165 0.071 Uiso 1 calc R .
H12C H -0.0391 0.5433 0.2430 0.071 Uiso 1 calc R .
C13 C 0.1934(3) 0.47437(9) 0.0564(2) 0.0327(6) Uani 1 d . .
H13A H 0.2156 0.4935 0.1275 0.049 Uiso 1 calc R .
H13B H 0.1139 0.4877 0.0139 0.049 Uiso 1 calc R .
H13C H 0.2616 0.4780 0.0105 0.049 Uiso 1 calc R .
C14 C 0.1770(2) 0.41865(8) 0.08302(19) 0.0241(5) Uani 1 d . .
C15 C 0.1563(2) 0.38543(9) -0.01177(19) 0.0259(5) Uani 1 d . .
H15 H 0.1437 0.4017 -0.0840 0.031 Uiso 1 calc R .
C16 C 0.1518(2) 0.33205(9) -0.01450(19) 0.0250(5) Uani 1 d . .
C17_b C 0.1424(3) 0.30852(10) -0.1329(2) 0.0339(6) Uani 1 d . 2
H17A_b H 0.1322 0.3357 -0.1902 0.051 Uiso 1 calc R 2
H17B_b H 0.0690 0.2856 -0.1465 0.051 Uiso 1 calc R 2
H17C_b H 0.2201 0.2892 -0.1380 0.051 Uiso 1 calc R 2
C18 C 0.5006(4) 0.22339(18) 0.2084(3) 0.0785(12) Uani 1 d . .
H18A H 0.5688 0.2467 0.2407 0.118 Uiso 1 calc R .
H18B H 0.5361 0.1960 0.1670 0.118 Uiso 1 calc R .
H18C H 0.4608 0.2087 0.2698 0.118 Uiso 1 calc R .
C19 C 0.4594(4) 0.27132(17) 0.0285(3) 0.0812(13) Uani 1 d . .
H19A H 0.3980 0.2922 -0.0217 0.122 Uiso 1 calc R .
H19B H 0.4846 0.2420 -0.0140 0.122 Uiso 1 calc R .
H19C H 0.5346 0.2919 0.0568 0.122 Uiso 1 calc R .
C20 C 0.4004(3) 0.25286(11) 0.1262(3) 0.0423(7) Uani 1 d . .
H20 H 0.3775 0.2838 0.1679 0.051 Uiso 1 calc R .
C21 C 0.2781(2) 0.22292(9) 0.09034(19) 0.0280(5) Uani 1 d . .
C22 C 0.2789(3) 0.16980(10) 0.0862(2) 0.0351(6) Uani 1 d . .
H22 H 0.3577 0.1522 0.1025 0.042 Uiso 1 calc R .
C23 C 0.1683(3) 0.14221(10) 0.0589(2) 0.0370(6) Uani 1 d . .
H23 H 0.1712 0.1060 0.0550 0.044 Uiso 1 calc R .
C24 C 0.0533(3) 0.16734(9) 0.0371(2) 0.0336(6) Uani 1 d . .
H24 H -0.0228 0.1480 0.0203 0.040 Uiso 1 calc R .
C25 C 0.0460(2) 0.22061(9) 0.03914(19) 0.0272(5) Uani 1 d . .
C26 C 0.1601(2) 0.24897(9) 0.06380(18) 0.0246(5) Uani 1 d . .
C27 C -0.0812(2) 0.24792(10) 0.0201(2) 0.0336(6) Uani 1 d . .
H27 H -0.0691 0.2807 -0.0198 0.040 Uiso 1 calc R .
C28 C -0.1224(3) 0.26151(14) 0.1338(3) 0.0521(8) Uani 1 d . .
H28A H -0.0571 0.2829 0.1783 0.078 Uiso 1 calc R .
H28B H -0.1334 0.2301 0.1760 0.078 Uiso 1 calc R .
H28C H -0.2030 0.2802 0.1199 0.078 Uiso 1 calc R .
C29 C -0.1877(3) 0.21900(14) -0.0532(3) 0.0553(9) Uani 1 d . .
H29A H -0.2117 0.1894 -0.0111 0.083 Uiso 1 calc R .
H29B H -0.1586 0.2075 -0.1230 0.083 Uiso 1 calc R .
H29C H -0.2614 0.2415 -0.0728 0.083 Uiso 1 calc R .
C100 C 0.4467(5) 0.0808(2) 0.3619(6) 0.145(3) Uani 1 d . .
H10A H 0.4434 0.0468 0.3954 0.218 Uiso 1 calc R .
H10B H 0.3913 0.0818 0.2879 0.218 Uiso 1 calc R .
H10C H 0.4180 0.1063 0.4125 0.218 Uiso 1 calc R .
C101 C 0.5768(4) 0.09222(14) 0.3467(4) 0.0744(12) Uani 1 d . .
C102 C 0.6688(6) 0.10872(16) 0.4415(4) 0.0900(15) Uani 1 d . .
H102 H 0.6454 0.1129 0.5147 0.108 Uiso 1 calc R .
C103 C 0.7909(6) 0.11832(15) 0.4244(5) 0.0930(15) Uani 1 d . .
H103 H 0.8530 0.1276 0.4874 0.112 Uiso 1 calc R .
C104 C 0.8256(4) 0.11481(16) 0.3187(5) 0.0875(14) Uani 1 d . .
H104 H 0.9100 0.1226 0.3081 0.105 Uiso 1 calc R .
C105 C 0.7407(5) 0.10055(15) 0.2324(4) 0.0817(13) Uani 1 d . .
H105 H 0.7646 0.0984 0.1590 0.098 Uiso 1 calc R .
C106 C 0.6160(4) 0.08844(13) 0.2453(3) 0.0623(9) Uani 1 d . .
H106 H 0.5579 0.0773 0.1811 0.075 Uiso 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'
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
N1 K1_a N2 66.01(6) . . ?
N1 K1_a C9 26.57(6) . . ?
N2 K1_a C9 92.41(6) . . ?
N1 K1_a C23 102.90(6) . 4_566 ?
N2 K1_a C23 166.76(7) . 4_566 ?
C9 K1_a C23 77.16(6) . 4_566 ?
N1 K1_a C24 112.62(6) . 4_566 ?
N2 K1_a C24 151.25(7) . 4_566 ?
C9 K1_a C24 91.13(6) . 4_566 ?
C23 K1_a C24 24.51(7) 4_566 4_566 ?
N1 K1_a C22 114.37(6) . 4_566 ?
N2 K1_a C22 166.51(7) . 4_566 ?
C9 K1_a C22 88.02(6) . 4_566 ?
C23 K1_a C22 24.10(7) 4_566 4_566 ?
C24 K1_a C22 42.13(7) 4_566 4_566 ?
N1 K1_a C26 89.79(6) . . ?
N2 K1_a C26 23.86(5) . . ?
C9 K1_a C26 116.00(6) . . ?
C23 K1_a C26 166.16(6) 4_566 . ?
C24 K1_a C26 143.77(6) 4_566 . ?
C22 K1_a C26 150.85(6) 4_566 . ?
N1 K1_a C25 135.34(6) . 4_566 ?
N2 K1_a C25 141.45(6) . 4_566 ?
C9 K1_a C25 114.89(6) . 4_566 ?
C23 K1_a C25 42.40(6) 4_566 4_566 ?
C24 K1_a C25 23.76(6) 4_566 4_566 ?
C22 K1_a C25 48.40(6) 4_566 4_566 ?
C26 K1_a C25 123.92(6) . 4_566 ?
N1 K1_a C4 44.05(6) . . ?
N2 K1_a C4 102.74(6) . . ?
C9 K1_a C4 23.92(6) . . ?
C23 K1_a C4 70.83(6) 4_566 . ?
C24 K1_a C4 91.78(6) 4_566 . ?
C22 K1_a C4 72.96(6) 4_566 . ?
C26 K1_a C4 122.92(6) . . ?
C25 K1_a C4 113.17(6) 4_566 . ?
N1 K1_a C21 136.98(6) . 4_566 ?
N2 K1_a C21 151.61(6) . 4_566 ?
C9 K1_a C21 110.96(6) . 4_566 ?
C23 K1_a C21 41.61(6) 4_566 4_566 ?
C24 K1_a C21 48.14(6) 4_566 4_566 ?
C22 K1_a C21 23.12(6) 4_566 4_566 ?
C26 K1_a C21 129.14(6) . 4_566 ?
C25 K1_a C21 41.01(6) 4_566 4_566 ?
C4 K1_a C21 93.90(6) . 4_566 ?
C14 N1 C9 121.76(19) . . ?
C14 N1 K1_a 141.28(15) . . ?
C9 N1 K1_a 96.73(12) . . ?
C16 N2 C26 120.11(19) . . ?
C16 N2 K1_a 135.78(15) . . ?
C26 N2 K1_a 104.08(13) . . ?
C4 C3 C2 114.4(2) . . ?
C4 C3 C1 109.8(3) . . ?
C2 C3 C1 109.7(3) . . ?
C5 C4 C9 118.8(2) . . ?
C5 C4 C3 121.0(2) . . ?
C9 C4 C3 120.1(2) . . ?
C5 C4 K1_a 126.99(17) . . ?
C9 C4 K1_a 64.57(12) . . ?
C3 C4 K1_a 81.91(15) . . ?
C6 C5 C4 121.1(3) . . ?
C5 C6 C7 119.7(2) . . ?
C6 C7 C8 121.7(3) . . ?
C7 C8 C9 118.0(2) . . ?
C7 C8 C10 121.8(2) . . ?
C9 C8 C10 120.2(2) . . ?
C4 C9 C8 120.7(2) . . ?
C4 C9 N1 118.0(2) . . ?
C8 C9 N1 120.9(2) . . ?
C4 C9 K1_a 91.51(14) . . ?
C8 C9 K1_a 114.62(15) . . ?
N1 C9 K1_a 56.70(10) . . ?
C12 C10 C8 113.6(2) . . ?
C12 C10 C11 109.9(2) . . ?
C8 C10 C11 110.1(2) . . ?
N1 C14 C15 122.4(2) . . ?
N1 C14 C13 121.7(2) . . ?
C15 C14 C13 115.8(2) . . ?
C16 C15 C14 129.3(2) . . ?
N2 C16 C15 124.9(2) . . ?
N2 C16 C17_b 120.1(2) . . ?
C15 C16 C17_b 114.9(2) . . ?
C19 C20 C21 113.4(3) . . ?
C19 C20 C18 108.9(3) . . ?
C21 C20 C18 113.4(3) . . ?
C22 C21 C26 118.8(2) . . ?
C22 C21 C20 121.0(2) . . ?
C26 C21 C20 120.2(2) . . ?
C22 C21 K1_a 70.89(14) . 4_565 ?
C26 C21 K1_a 79.21(13) . 4_565 ?
C20 C21 K1_a 122.05(16) . 4_565 ?
C23 C22 C21 121.5(2) . . ?
C23 C22 K1_a 72.35(15) . 4_565 ?
C21 C22 K1_a 85.98(14) . 4_565 ?
C22 C23 C24 119.7(2) . . ?
C22 C23 K1_a 83.55(15) . 4_565 ?
C24 C23 K1_a 80.27(15) . 4_565 ?
C23 C24 C25 121.6(2) . . ?
C23 C24 K1_a 75.22(15) . 4_565 ?
C25 C24 K1_a 85.48(14) . 4_565 ?
C24 C25 C26 118.7(2) . . ?
C24 C25 C27 121.2(2) . . ?
C26 C25 C27 120.1(2) . . ?
C24 C25 K1_a 70.75(14) . 4_565 ?
C26 C25 K1_a 82.28(13) . 4_565 ?
C27 C25 K1_a 119.14(14) . 4_565 ?
N2 C26 C25 121.3(2) . . ?
N2 C26 C21 118.7(2) . . ?
C25 C26 C21 119.6(2) . . ?
N2 C26 K1_a 52.07(10) . . ?
C25 C26 K1_a 112.99(14) . . ?
C21 C26 K1_a 97.51(14) . . ?
C25 C27 C29 114.7(2) . . ?
C25 C27 C28 110.6(2) . . ?
C29 C27 C28 109.4(2) . . ?
C106 C101 C102 117.2(4) . . ?
C106 C101 C100 122.3(5) . . ?
C102 C101 C100 120.5(5) . . ?
C103 C102 C101 118.8(4) . . ?
C104 C103 C102 121.7(5) . . ?
C105 C104 C103 119.1(5) . . ?
C104 C105 C106 121.9(5) . . ?
C101 C106 C105 121.3(4) . . ?
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
K1_a N1 2.6387(19) . ?
K1_a N2 2.7398(19) . ?
K1_a C9 3.135(2) . ?
K1_a C23 3.214(3) 4_566 ?
K1_a C24 3.276(3) 4_566 ?
K1_a C22 3.351(3) 4_566 ?
K1_a C26 3.369(2) . ?
K1_a C25 3.459(2) 4_566 ?
K1_a C4 3.470(2) . ?
K1_a C21 3.538(2) 4_566 ?
N1 C14 1.317(3) . ?
N1 C9 1.412(3) . ?
N2 C16 1.323(3) . ?
N2 C26 1.405(3) . ?
C1 C3 1.529(4) . ?
C2 C3 1.526(4) . ?
C3 C4 1.518(4) . ?
C4 C5 1.391(4) . ?
C4 C9 1.408(3) . ?
C5 C6 1.381(4) . ?
C6 C7 1.381(4) . ?
C7 C8 1.394(3) . ?
C8 C9 1.411(3) . ?
C8 C10 1.521(4) . ?
C10 C12 1.520(4) . ?
C10 C11 1.528(4) . ?
C13 C14 1.510(3) . ?
C14 C15 1.414(3) . ?
C15 C16 1.400(3) . ?
C16 C17_b 1.527(3) . ?
C18 C20 1.536(5) . ?
C19 C20 1.488(5) . ?
C20 C21 1.523(4) . ?
C21 C22 1.393(3) . ?
C21 C26 1.422(3) . ?
C21 K1_a 3.538(2) 4_565 ?
C22 C23 1.377(4) . ?
C22 K1_a 3.351(3) 4_565 ?
C23 C24 1.379(4) . ?
C23 K1_a 3.214(3) 4_565 ?
C24 C25 1.398(3) . ?
C24 K1_a 3.276(3) 4_565 ?
C25 C26 1.415(3) . ?
C25 C27 1.517(4) . ?
C25 K1_a 3.459(2) 4_565 ?
C27 C29 1.519(4) . ?
C27 C28 1.530(4) . ?
C100 C101 1.456(6) . ?
C101 C106 1.342(5) . ?
C101 C102 1.439(6) . ?
C102 C103 1.371(7) . ?
C103 C104 1.369(7) . ?
C104 C105 1.311(6) . ?
C105 C106 1.397(6) . ?
