#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:40:52 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252762 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/38/7703889.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_7703889
loop_
_publ_author_name
'Gyton, Matthew R.'
'Leverett, Anthony R.'
'Cole, Marcus L.'
'McKay, Alasdair I.'
_publ_section_title
;
 Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and
 spectroscopic study.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5653
_journal_page_last               5661
_journal_paper_doi               10.1039/d0dt00285b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C32 H54 K N3 O4'
_chemical_formula_sum            'C32 H54 K N3 O4'
_chemical_formula_weight         583.88
_chemical_name_common            '[K(DME)2(N3Dipp2)]'
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-04-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-12-14 deposited with the CCDC.	2020-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.5830(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2751(5)
_cell_length_b                   15.4085(5)
_cell_length_c                   16.3889(6)
_cell_measurement_reflns_used    9248
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.808
_cell_measurement_theta_min      2.289
_cell_volume                     3416.9(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41517
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.021
_diffrn_reflns_theta_min         2.644
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.192
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6944
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/2 (Bruker,2014/2) was used for absorption correction. wR2(int) was 0.0742 before and 0.0521 after correction. The Ratio of minimum to maximum transmission is 0.9317. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6705
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0416P)²+1.6294P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1088
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5083
_reflns_number_total             6705
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00285b2.cif
_cod_data_source_block           7(DME)2
_cod_depositor_comments
'Adding full bibliography for 7703878--7703902.cif.'
_cod_database_code               7703889
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.927
_shelx_estimated_absorpt_t_min   0.927
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C13(H13), C10(H10), C25(H25), C22(H22)
2.b Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C30(H30A,H30B), C33(H33A,H33B), C29(H29A,H29B)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C7(H7), C6(H6), C20(H20), C18(H18), C19(H19)
2.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C11(H11A,H11B,H11C), C14(H14A,H14B,H14C), C12(H12A,H12B,
 H12C), C31(H31A,H31B,H31C), C28(H28A,H28B,H28C), C23(H23A,H23B,H23C), C35(H35A,
 H35B,H35C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C32(H32A,H32B,H32C),
 C24(H24A,H24B,H24C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.45443(3) 0.95576(3) 0.24534(3) 0.02843(12) Uani 1 1 d . . . . .
N3 N 0.62535(11) 0.85789(9) 0.30193(9) 0.0250(3) Uani 1 1 d . . . . .
N1 N 0.52026(10) 0.82045(9) 0.36716(9) 0.0229(3) Uani 1 1 d . . . . .
O2 O 0.31689(10) 0.90034(9) 0.09467(9) 0.0386(3) Uani 1 1 d . . . . .
N2 N 0.60736(10) 0.80618(9) 0.35796(9) 0.0219(3) Uani 1 1 d . . . . .
O1 O 0.25888(10) 0.90559(9) 0.24267(9) 0.0366(3) Uani 1 1 d . . . . .
O4 O 0.58886(9) 1.08785(8) 0.22764(8) 0.0335(3) Uani 1 1 d . . . . .
O3 O 0.38735(10) 1.10403(9) 0.14871(10) 0.0409(4) Uani 1 1 d . . . . .
C4 C 0.49824(12) 0.75591(11) 0.41993(11) 0.0205(4) Uani 1 1 d . . . . .
C5 C 0.48529(12) 0.66838(11) 0.39372(11) 0.0225(4) Uani 1 1 d . . . . .
C9 C 0.48237(12) 0.78205(11) 0.49694(11) 0.0222(4) Uani 1 1 d . . . . .
C13 C 0.49326(14) 0.87649(11) 0.52415(12) 0.0278(4) Uani 1 1 d . . . . .
H13 H 0.486983 0.912052 0.471633 0.033 Uiso 1 1 calc R . . . .
C8 C 0.46045(13) 0.71935(11) 0.54917(12) 0.0259(4) Uani 1 1 d . . . . .
H8 H 0.450720 0.736385 0.601600 0.031 Uiso 1 1 calc R . . . .
C7 C 0.45257(13) 0.63282(12) 0.52617(12) 0.0284(4) Uani 1 1 d . . . . .
H7 H 0.439349 0.590520 0.563239 0.034 Uiso 1 1 calc R . . . .
C10 C 0.49225(14) 0.63923(12) 0.30683(12) 0.0280(4) Uani 1 1 d . . . . .
H10 H 0.485156 0.692225 0.270122 0.034 Uiso 1 1 calc R . . . .
C16 C 0.72230(13) 0.85035(11) 0.29692(12) 0.0245(4) Uani 1 1 d . . . . .
C6 C 0.46407(13) 0.60816(11) 0.44884(12) 0.0259(4) Uani 1 1 d . . . . .
H6 H 0.457332 0.548659 0.432834 0.031 Uiso 1 1 calc R . . . .
C20 C 0.89611(15) 0.88248(13) 0.34763(15) 0.0380(5) Uani 1 1 d . . . . .
H20 H 0.953764 0.899391 0.392646 0.046 Uiso 1 1 calc R . . . .
C21 C 0.80680(13) 0.87558(11) 0.36441(12) 0.0282(4) Uani 1 1 d . . . . .
C34 C 0.54982(15) 1.14419(13) 0.15715(12) 0.0344(5) Uani 1 1 d . . . . .
H34A H 0.542932 1.113112 0.102679 0.041 Uiso 1 1 calc R . . . .
H34B H 0.594962 1.193989 0.161440 0.041 Uiso 1 1 calc R . . . .
C30 C 0.22264(16) 0.87182(15) 0.09512(14) 0.0452(5) Uani 1 1 d . . . . .
H30A H 0.197654 0.825890 0.051323 0.054 Uiso 1 1 calc R . . . .
H30B H 0.175290 0.920792 0.081048 0.054 Uiso 1 1 calc R . . . .
C17 C 0.73028(14) 0.82811(12) 0.21584(12) 0.0306(4) Uani 1 1 d . . . . .
C25 C 0.80138(15) 0.89639(13) 0.45333(13) 0.0347(5) Uani 1 1 d . . . . .
H25 H 0.730148 0.906732 0.446591 0.042 Uiso 1 1 calc R . . . .
C15 C 0.41349(16) 0.90708(13) 0.56127(13) 0.0373(5) Uani 1 1 d . . . . .
H15A H 0.348209 0.892052 0.521445 0.056 Uiso 1 1 calc GR . . . .
H15B H 0.418129 0.970135 0.569372 0.056 Uiso 1 1 calc GR . . . .
H15C H 0.422926 0.878690 0.616830 0.056 Uiso 1 1 calc GR . . . .
C11 C 0.59169(15) 0.59936(14) 0.31496(14) 0.0408(5) Uani 1 1 d . . . . .
H11A H 0.644144 0.641215 0.341835 0.061 Uiso 1 1 calc GR . . . .
H11B H 0.594205 0.584026 0.257659 0.061 Uiso 1 1 calc GR . . . .
H11C H 0.601123 0.547019 0.350638 0.061 Uiso 1 1 calc GR . . . .
C18 C 0.82066(17) 0.83743(13) 0.20238(14) 0.0408(5) Uani 1 1 d . . . . .
H18 H 0.826068 0.824331 0.147413 0.049 Uiso 1 1 calc R . . . .
C22 C 0.63948(16) 0.79713(13) 0.14423(12) 0.0376(5) Uani 1 1 d . . . . .
H22 H 0.594609 0.768446 0.172072 0.045 Uiso 1 1 calc R . . . .
C33 C 0.45144(15) 1.17573(13) 0.15770(14) 0.0371(5) Uani 1 1 d . . . . .
H33A H 0.458261 1.206293 0.212428 0.044 Uiso 1 1 calc R . . . .
H33B H 0.423985 1.216988 0.109706 0.044 Uiso 1 1 calc R . . . .
C19 C 0.90278(16) 0.86531(14) 0.26706(16) 0.0447(6) Uani 1 1 d . . . . .
H19 H 0.963868 0.872709 0.256310 0.054 Uiso 1 1 calc R . . . .
C29 C 0.23192(16) 0.83721(14) 0.18242(14) 0.0440(5) Uani 1 1 d . . . . .
H29A H 0.168194 0.811867 0.182433 0.053 Uiso 1 1 calc R . . . .
H29B H 0.282771 0.791053 0.198168 0.053 Uiso 1 1 calc R . . . .
C14 C 0.59604(16) 0.89307(14) 0.58792(15) 0.0426(5) Uani 1 1 d . . . . .
H14A H 0.603985 0.860022 0.640789 0.064 Uiso 1 1 calc GR . . . .
H14B H 0.603829 0.955123 0.601498 0.064 Uiso 1 1 calc GR . . . .
H14C H 0.646253 0.874699 0.562373 0.064 Uiso 1 1 calc GR . . . .
C12 C 0.40942(17) 0.57653(15) 0.25955(14) 0.0457(6) Uani 1 1 d . . . . .
H12A H 0.415253 0.562411 0.203068 0.068 Uiso 1 1 calc GR . . . .
H12B H 0.345193 0.603831 0.251978 0.068 Uiso 1 1 calc GR . . . .
H12C H 0.414828 0.523230 0.293382 0.068 Uiso 1 1 calc GR . . . .
C31 C 0.31283(19) 0.93642(16) 0.01408(14) 0.0513(6) Uani 1 1 d . . . . .
H31A H 0.294377 0.891198 -0.030233 0.077 Uiso 1 1 calc GR . . . .
H31B H 0.377767 0.960002 0.017622 0.077 Uiso 1 1 calc GR . . . .
H31C H 0.263544 0.983002 -0.000881 0.077 Uiso 1 1 calc GR . . . .
C28 C 0.25337(17) 0.88114(15) 0.32402(15) 0.0464(6) Uani 1 1 d . . . . .
H28A H 0.186080 0.861806 0.317961 0.070 Uiso 1 1 calc GR . . . .
H28B H 0.270275 0.930946 0.363185 0.070 Uiso 1 1 calc GR . . . .
H28C H 0.299909 0.833698 0.347392 0.070 Uiso 1 1 calc GR . . . .
C23 C 0.58334(18) 0.87237(15) 0.09162(14) 0.0477(6) Uani 1 1 d . . . . .
H23A H 0.569290 0.915538 0.130078 0.072 Uiso 1 1 calc GR . . . .
H23B H 0.521067 0.851282 0.051115 0.072 Uiso 1 1 calc GR . . . .
H23C H 0.623301 0.899026 0.059597 0.072 Uiso 1 1 calc GR . . . .
C35 C 0.68930(15) 1.06863(14) 0.23984(15) 0.0427(5) Uani 1 1 d . . . . .
H35A H 0.694641 1.036217 0.190063 0.064 Uiso 1 1 calc GR . . . .
H35B H 0.715973 1.033563 0.291998 0.064 Uiso 1 1 calc GR . . . .
H35C H 0.726861 1.122813 0.245898 0.064 Uiso 1 1 calc GR . . . .
C26 C 0.8567(2) 0.97774(15) 0.49291(16) 0.0577(7) Uani 1 1 d . . . . .
H26A H 0.840353 0.992870 0.544860 0.087 Uiso 1 1 calc GR . . . .
H26B H 0.837607 1.025528 0.451432 0.087 Uiso 1 1 calc GR . . . .
H26C H 0.927963 0.967519 0.508064 0.087 Uiso 1 1 calc GR . . . .
C27 C 0.8338(2) 0.82009(16) 0.51270(16) 0.0641(7) Uani 1 1 d . . . . .
H27A H 0.796463 0.768476 0.485874 0.096 Uiso 1 1 calc GR . . . .
H27B H 0.821564 0.832177 0.567129 0.096 Uiso 1 1 calc GR . . . .
H27C H 0.904533 0.809821 0.523820 0.096 Uiso 1 1 calc GR . . . .
C32 C 0.28947(16) 1.12908(16) 0.14087(17) 0.0521(6) Uani 1 1 d . . . . .
H32A H 0.289664 1.163484 0.191219 0.078 Uiso 1 1 calc GR . . . .
H32B H 0.248702 1.077173 0.137347 0.078 Uiso 1 1 calc GR . . . .
H32C H 0.262285 1.163934 0.088625 0.078 Uiso 1 1 calc GR . . . .
C24 C 0.6630(2) 0.73036(17) 0.08430(16) 0.0700(8) Uani 1 1 d . . . . .
H24A H 0.699540 0.758577 0.050168 0.105 Uiso 1 1 calc GR . . . .
H24B H 0.601238 0.706180 0.045716 0.105 Uiso 1 1 calc GR . . . .
H24C H 0.703223 0.683589 0.118682 0.105 Uiso 1 1 calc GR . . . .
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'
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'
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
N3 K1 N1 45.81(4) . . ?
N3 K1 N2 22.61(4) . . ?
N3 K1 O1 127.26(4) . . ?
N3 K1 O4 82.75(4) . . ?
N3 K1 O3 138.47(4) . . ?
N1 K1 N2 23.20(4) . . ?
N1 K1 O1 85.15(4) . . ?
N1 K1 O4 120.67(4) . . ?
O2 K1 N3 115.61(5) . . ?
O2 K1 N1 112.66(4) . . ?
O2 K1 N2 116.08(4) . . ?
O2 K1 O1 59.56(4) . . ?
O2 K1 O4 115.91(4) . . ?
O2 K1 O3 74.07(4) . . ?
O1 K1 N2 106.59(4) . . ?
O4 K1 N2 101.93(4) . . ?
O4 K1 O1 149.60(4) . . ?
O3 K1 N1 170.59(4) . . ?
O3 K1 N2 160.20(4) . . ?
O3 K1 O1 93.20(4) . . ?
O3 K1 O4 58.59(4) . . ?
N2 N3 K1 102.66(10) . . ?
N2 N3 C16 113.99(14) . . ?
C16 N3 K1 143.04(11) . . ?
N2 N1 K1 98.94(9) . . ?
N2 N1 C4 110.70(13) . . ?
C4 N1 K1 149.14(10) . . ?
C30 O2 K1 119.86(12) . . ?
C31 O2 K1 121.30(13) . . ?
C31 O2 C30 111.68(17) . . ?
N3 N2 K1 54.74(8) . . ?
N3 N2 N1 112.58(14) . . ?
N1 N2 K1 57.85(8) . . ?
C29 O1 K1 104.93(11) . . ?
C29 O1 C28 112.13(16) . . ?
C28 O1 K1 113.73(12) . . ?
C34 O4 K1 114.60(11) . . ?
C34 O4 C35 111.28(15) . . ?
C35 O4 K1 121.12(11) . . ?
C33 O3 K1 119.41(11) . . ?
C33 O3 C32 112.60(16) . . ?
C32 O3 K1 115.34(12) . . ?
C5 C4 N1 121.22(15) . . ?
C5 C4 C9 120.21(15) . . ?
C9 C4 N1 118.41(15) . . ?
C4 C5 C10 121.64(15) . . ?
C6 C5 C4 118.29(16) . . ?
C6 C5 C10 120.06(15) . . ?
C4 C9 C13 120.46(15) . . ?
C8 C9 C4 118.97(16) . . ?
C8 C9 C13 120.52(15) . . ?
C9 C13 C15 113.22(15) . . ?
C9 C13 C14 110.37(15) . . ?
C15 C13 C14 110.58(16) . . ?
C7 C8 C9 121.16(16) . . ?
C8 C7 C6 119.52(16) . . ?
C5 C10 C12 112.83(15) . . ?
C11 C10 C5 112.06(16) . . ?
C11 C10 C12 109.85(17) . . ?
C21 C16 N3 122.70(15) . . ?
C21 C16 C17 120.07(16) . . ?
C17 C16 N3 116.60(16) . . ?
C7 C6 C5 121.67(16) . . ?
C19 C20 C21 121.4(2) . . ?
C16 C21 C25 121.33(16) . . ?
C20 C21 C16 118.41(18) . . ?
C20 C21 C25 120.25(18) . . ?
O4 C34 C33 108.86(15) . . ?
O2 C30 C29 108.74(17) . . ?
C16 C17 C22 119.85(16) . . ?
C18 C17 C16 118.93(19) . . ?
C18 C17 C22 121.19(18) . . ?
C26 C25 C21 114.04(17) . . ?
C27 C25 C21 110.92(17) . . ?
C27 C25 C26 111.1(2) . . ?
C19 C18 C17 121.24(19) . . ?
C17 C22 C24 113.48(19) . . ?
C23 C22 C17 111.44(17) . . ?
C23 C22 C24 109.50(18) . . ?
O3 C33 C34 108.98(16) . . ?
C18 C19 C20 119.74(19) . . ?
O1 C29 C30 108.97(17) . . ?
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 N3 2.7650(15) . ?
K1 N1 2.8320(14) . ?
K1 O2 2.7553(14) . ?
K1 N2 3.3041(15) . ?
K1 O1 2.8833(14) . ?
K1 O4 2.8747(13) . ?
K1 O3 2.7709(14) . ?
N3 N2 1.3017(19) . ?
N3 C16 1.417(2) . ?
N1 N2 1.3177(19) . ?
N1 C4 1.417(2) . ?
O2 C30 1.418(2) . ?
O2 C31 1.417(2) . ?
O1 C29 1.411(2) . ?
O1 C28 1.412(2) . ?
O4 C34 1.410(2) . ?
O4 C35 1.414(2) . ?
O3 C33 1.412(2) . ?
O3 C32 1.415(2) . ?
C4 C5 1.410(2) . ?
C4 C9 1.410(2) . ?
C5 C10 1.526(2) . ?
C5 C6 1.394(2) . ?
C9 C13 1.515(2) . ?
C9 C8 1.391(2) . ?
C13 C15 1.527(3) . ?
C13 C14 1.527(3) . ?
C8 C7 1.380(3) . ?
C7 C6 1.382(3) . ?
C10 C11 1.513(3) . ?
C10 C12 1.532(3) . ?
C16 C21 1.407(3) . ?
C16 C17 1.411(3) . ?
C20 C21 1.391(3) . ?
C20 C19 1.379(3) . ?
C21 C25 1.518(3) . ?
C34 C33 1.489(3) . ?
C30 C29 1.493(3) . ?
C17 C18 1.384(3) . ?
C17 C22 1.522(3) . ?
C25 C26 1.513(3) . ?
C25 C27 1.502(3) . ?
C18 C19 1.375(3) . ?
C22 C23 1.513(3) . ?
C22 C24 1.532(3) . ?
