#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:10:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179097 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/59/4305917.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_4305917
loop_
_publ_author_name
'Javier Ruiz'
'Maria J. Antón'
'Marilín Vivanco'
'Marta E. G. Mosquera'
'Roberto Quesada'
_publ_contact_author
;      Marta E. G. Mosquera
       Departamento de Química Inorgánica
       Facultad de Farmacia
       Universidad de Alcalá
       Campus Universitario
       28871 Alcalá de Henares
       Spain
;
_publ_contact_author_email       martaeg.mosquera@uah.es
_publ_contact_author_fax         '0034 91 8854683'
_publ_contact_author_phone       '0034 91 8854779'
_publ_section_title
;
D+-π-A-Charge-Transfer Molecules Based on Tricyanoquinodimethane and
Diphosphine Metal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5540
_journal_page_last               5542
_journal_paper_doi               10.1021/ic8008333
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C40 H24 Mn N3 O4 P2'
_chemical_formula_weight         727.50
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 104.822(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.024(7)
_cell_length_b                   18.174(5)
_cell_length_c                   17.058(4)
_cell_measurement_reflns_used    90
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.637
_cell_measurement_theta_min      3.344
_cell_volume                     8399(4)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0897
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33352
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.60
_exptl_absorpt_coefficient_mu    0.429
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.418
_exptl_crystal_size_mid          0.379
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       0.0012(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         9618
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1102
_refine_ls_R_factor_gt           0.0569
_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)+(0.0910P)²+6.3532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1525
_refine_ls_wR_factor_ref         0.1745
_reflns_number_gt                5984
_reflns_number_total             9618
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8008333-file004_1.cif
_cod_data_source_block           5b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305917
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Mn1 Mn 0.733141(17) 0.73889(2) 0.29534(3) 0.03549(15) Uani 1 1 d . . .
P2 P 0.66030(3) 0.68613(4) 0.30402(5) 0.03285(19) Uani 1 1 d . . .
P3 P 0.73013(3) 0.62112(4) 0.24656(5) 0.03490(19) Uani 1 1 d . . .
C10 C 0.79301(13) 0.75745(17) 0.2765(2) 0.0472(8) Uani 1 1 d . . .
O10 O 0.82978(10) 0.76585(16) 0.2617(2) 0.0703(8) Uani 1 1 d . . .
C20 C 0.70425(14) 0.77334(18) 0.1933(2) 0.0491(8) Uani 1 1 d . . .
O20 O 0.68755(12) 0.79576(18) 0.13102(18) 0.0776(9) Uani 1 1 d . . .
C30 C 0.72168(13) 0.82708(18) 0.3381(2) 0.0473(8) Uani 1 1 d . . .
O30 O 0.71375(11) 0.88033(14) 0.36581(19) 0.0676(8) Uani 1 1 d . . .
C40 C 0.76303(12) 0.70830(17) 0.3979(2) 0.0436(7) Uani 1 1 d . . .
O40 O 0.78253(11) 0.69262(16) 0.46162(17) 0.0691(8) Uani 1 1 d . . .
N91 N 0.43226(14) 0.5059(2) 0.4240(3) 0.0780(11) Uani 1 1 d . . .
N92 N 0.47856(18) 0.2837(2) 0.3881(3) 0.1029(16) Uani 1 1 d . . .
N93 N 0.70523(12) 0.42599(16) 0.2292(2) 0.0603(8) Uani 1 1 d . . .
C1 C 0.67462(10) 0.59717(15) 0.27365(17) 0.0343(6) Uani 1 1 d . . .
C2 C 0.65421(11) 0.52786(15) 0.27466(17) 0.0342(6) Uani 1 1 d . . .
C3 C 0.61240(11) 0.50302(16) 0.29812(17) 0.0351(6) Uani 1 1 d . . .
C4 C 0.60265(12) 0.42661(17) 0.3008(2) 0.0422(7) Uani 1 1 d . . .
H4 H 0.6230 0.3934 0.2834 0.051 Uiso 1 1 calc R . .
C5 C 0.56491(12) 0.40077(18) 0.3278(2) 0.0462(8) Uani 1 1 d . . .
H5 H 0.5604 0.3502 0.3294 0.055 Uiso 1 1 calc R . .
C6 C 0.53194(11) 0.44735(18) 0.35367(19) 0.0415(7) Uani 1 1 d . . .
C7 C 0.53966(11) 0.52330(18) 0.3474(2) 0.0421(7) Uani 1 1 d . . .
H7 H 0.5180 0.5562 0.3618 0.050 Uiso 1 1 calc R . .
C8 C 0.57792(11) 0.54971(17) 0.32081(19) 0.0405(7) Uani 1 1 d . . .
H8 H 0.5816 0.6004 0.3174 0.049 Uiso 1 1 calc R . .
C9 C 0.49337(12) 0.42052(19) 0.3826(2) 0.0475(8) Uani 1 1 d . . .
C11 C 0.77948(12) 0.55954(17) 0.2929(2) 0.0448(7) Uani 1 1 d . . .
C12 C 0.78325(15) 0.5347(2) 0.3703(3) 0.0615(10) Uani 1 1 d . . .
H12 H 0.7595 0.5485 0.3969 0.074 Uiso 1 1 calc R . .
C13 C 0.82055(18) 0.4907(3) 0.4086(3) 0.0839(14) Uani 1 1 d . . .
H13 H 0.8227 0.4754 0.4614 0.101 Uiso 1 1 calc R . .
C14 C 0.8556(2) 0.4681(3) 0.3701(4) 0.1015(18) Uani 1 1 d . . .
H14 H 0.8811 0.4371 0.3962 0.122 Uiso 1 1 calc R . .
C15 C 0.8523(2) 0.4921(3) 0.2932(5) 0.1061(19) Uani 1 1 d . . .
H15 H 0.8765 0.4784 0.2674 0.127 Uiso 1 1 calc R . .
C16 C 0.81379(16) 0.5364(3) 0.2529(3) 0.0745(12) Uani 1 1 d . . .
H16 H 0.8110 0.5504 0.1995 0.089 Uiso 1 1 calc R . .
C21 C 0.60639(12) 0.72089(17) 0.2330(2) 0.0427(7) Uani 1 1 d . . .
C22 C 0.58009(14) 0.6774(2) 0.1711(2) 0.0593(10) Uani 1 1 d . . .
H22 H 0.5886 0.6282 0.1683 0.071 Uiso 1 1 calc R . .
C23 C 0.54135(19) 0.7061(3) 0.1136(3) 0.0910(16) Uani 1 1 d . . .
H23 H 0.5235 0.6764 0.0720 0.109 Uiso 1 1 calc R . .
C24 C 0.52910(19) 0.7774(3) 0.1172(4) 0.102(2) Uani 1 1 d . . .
H24 H 0.5028 0.7967 0.0778 0.123 Uiso 1 1 calc R . .
C25 C 0.55481(18) 0.8215(3) 0.1778(4) 0.0882(16) Uani 1 1 d . . .
H25 H 0.5458 0.8706 0.1800 0.106 Uiso 1 1 calc R . .
C26 C 0.59366(14) 0.7938(2) 0.2351(3) 0.0601(10) Uani 1 1 d . . .
H26 H 0.6117 0.8243 0.2758 0.072 Uiso 1 1 calc R . .
C31 C 0.72270(12) 0.61330(17) 0.13836(19) 0.0423(7) Uani 1 1 d . . .
C32 C 0.68165(13) 0.58077(19) 0.0894(2) 0.0498(8) Uani 1 1 d . . .
H32 H 0.6578 0.5600 0.1118 0.060 Uiso 1 1 calc R . .
C33 C 0.67598(18) 0.5791(3) 0.0068(2) 0.0704(11) Uani 1 1 d . . .
H33 H 0.6484 0.5563 -0.0263 0.084 Uiso 1 1 calc R . .
C34 C 0.7099(2) 0.6101(3) -0.0273(3) 0.0821(14) Uani 1 1 d . . .
H34 H 0.7055 0.6083 -0.0832 0.098 Uiso 1 1 calc R . .
C35 C 0.7505(2) 0.6439(3) 0.0206(3) 0.0787(14) Uani 1 1 d . . .
H35 H 0.7736 0.6657 -0.0026 0.094 Uiso 1 1 calc R . .
C36 C 0.75700(15) 0.6455(2) 0.1030(2) 0.0595(10) Uani 1 1 d . . .
H36 H 0.7847 0.6684 0.1356 0.071 Uiso 1 1 calc R . .
C41 C 0.64608(11) 0.68114(16) 0.40158(18) 0.0368(6) Uani 1 1 d . . .
C42 C 0.66987(13) 0.62915(19) 0.4558(2) 0.0471(8) Uani 1 1 d . . .
H42 H 0.6927 0.5979 0.4418 0.057 Uiso 1 1 calc R . .
C43 C 0.66019(15) 0.6228(2) 0.5317(2) 0.0582(9) Uani 1 1 d . . .
H43 H 0.6764 0.5873 0.5682 0.070 Uiso 1 1 calc R . .
C44 C 0.62667(14) 0.6690(3) 0.5523(2) 0.0621(11) Uani 1 1 d . . .
H44 H 0.6199 0.6645 0.6027 0.075 Uiso 1 1 calc R . .
C45 C 0.60379(16) 0.7201(3) 0.5004(3) 0.0681(11) Uani 1 1 d . . .
H45 H 0.5817 0.7519 0.5154 0.082 Uiso 1 1 calc R . .
C46 C 0.61249(14) 0.7268(2) 0.4237(2) 0.0543(9) Uani 1 1 d . . .
H46 H 0.5956 0.7620 0.3875 0.065 Uiso 1 1 calc R . .
C91 C 0.45942(14) 0.4677(2) 0.4061(2) 0.0553(9) Uani 1 1 d . . .
C92 C 0.48496(15) 0.3450(2) 0.3859(3) 0.0651(11) Uani 1 1 d . . .
C93 C 0.68307(12) 0.47018(16) 0.24939(19) 0.0398(7) Uani 1 1 d . . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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
C10 Mn1 C30 99.94(14) . . ?
C10 Mn1 C20 88.40(16) . . ?
C30 Mn1 C20 89.97(16) . . ?
C10 Mn1 C40 90.47(15) . . ?
C30 Mn1 C40 88.21(15) . . ?
C20 Mn1 C40 177.66(15) . . ?
C10 Mn1 P3 93.38(10) . . ?
C30 Mn1 P3 166.68(10) . . ?
C20 Mn1 P3 90.46(11) . . ?
C40 Mn1 P3 91.66(10) . . ?
C10 Mn1 P2 164.84(10) . . ?
C30 Mn1 P2 95.21(10) . . ?
C20 Mn1 P2 91.14(11) . . ?
C40 Mn1 P2 90.49(10) . . ?
P3 Mn1 P2 71.47(3) . . ?
C1 P2 C21 109.78(15) . . ?
C1 P2 C41 110.01(14) . . ?
C21 P2 C41 107.04(15) . . ?
C1 P2 Mn1 95.20(9) . . ?
C21 P2 Mn1 114.79(10) . . ?
C41 P2 Mn1 119.28(10) . . ?
C1 P2 P3 41.42(9) . . ?
C21 P2 P3 118.49(11) . . ?
C41 P2 P3 131.91(10) . . ?
Mn1 P2 P3 54.20(3) . . ?
C1 P3 C31 111.36(15) . . ?
C1 P3 C11 110.95(14) . . ?
C31 P3 C11 105.93(16) . . ?
C1 P3 Mn1 95.01(10) . . ?
C31 P3 Mn1 115.34(11) . . ?
C11 P3 Mn1 118.00(11) . . ?
C1 P3 P2 41.09(9) . . ?
C31 P3 P2 120.27(11) . . ?
C11 P3 P2 131.76(12) . . ?
Mn1 P3 P2 54.34(3) . . ?
O10 C10 Mn1 176.1(3) . . ?
O20 C20 Mn1 178.1(4) . . ?
O30 C30 Mn1 177.8(3) . . ?
O40 C40 Mn1 176.7(3) . . ?
C2 C1 P2 134.4(2) . . ?
C2 C1 P3 127.9(2) . . ?
P2 C1 P3 97.49(14) . . ?
C1 C2 C3 132.2(3) . . ?
C1 C2 C93 112.9(2) . . ?
C3 C2 C93 114.8(2) . . ?
C2 C3 C8 124.3(3) . . ?
C2 C3 C4 120.3(3) . . ?
C8 C3 C4 115.4(3) . . ?
C5 C4 C3 122.0(3) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 H4 119.0 . . ?
C4 C5 C6 122.4(3) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C9 C6 C5 122.4(3) . . ?
C9 C6 C7 121.4(3) . . ?
C5 C6 C7 116.2(3) . . ?
C8 C7 C6 121.6(3) . . ?
C8 C7 H7 119.2 . . ?
C6 C7 H7 119.2 . . ?
C7 C8 C3 122.3(3) . . ?
C7 C8 H8 118.8 . . ?
C3 C8 H8 118.8 . . ?
C6 C9 C92 121.0(3) . . ?
C6 C9 C91 122.1(3) . . ?
C92 C9 C91 116.9(3) . . ?
C12 C11 C16 118.9(4) . . ?
C12 C11 P3 119.3(3) . . ?
C16 C11 P3 121.9(3) . . ?
C13 C12 C11 121.4(4) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C14 120.5(5) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C15 118.9(5) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
C14 C15 C16 121.1(5) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C11 C16 C15 119.2(5) . . ?
C11 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
C26 C21 C22 118.9(3) . . ?
C26 C21 P2 120.1(3) . . ?
C22 C21 P2 120.7(3) . . ?
C23 C22 C21 120.2(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 120.1(5) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.7(4) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C25 C26 119.9(4) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C21 C26 C25 120.2(4) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C32 C31 C36 118.9(3) . . ?
C32 C31 P3 121.0(2) . . ?
C36 C31 P3 119.9(3) . . ?
C31 C32 C33 119.4(3) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C34 C33 C32 121.2(4) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C33 C34 C35 119.9(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 119.7(4) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C31 120.7(4) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
C42 C41 C46 118.6(3) . . ?
C42 C41 P2 118.1(2) . . ?
C46 C41 P2 123.2(3) . . ?
C41 C42 C43 120.5(3) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C44 C43 C42 119.7(4) . . ?
C44 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C45 C44 C43 120.2(3) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 121.0(4) . . ?
C44 C45 H45 119.5 . . ?
C46 C45 H45 119.5 . . ?
C41 C46 C45 120.0(4) . . ?
C41 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
N91 C91 C9 179.1(4) . . ?
N92 C92 C9 179.2(5) . . ?
N93 C93 C2 179.3(3) . . ?
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
Mn1 C10 1.819(3) . ?
Mn1 C30 1.823(3) . ?
Mn1 C20 1.832(4) . ?
Mn1 C40 1.823(4) . ?
Mn1 P3 2.2901(10) . ?
Mn1 P2 2.2941(9) . ?
P2 C1 1.775(3) . ?
P2 C21 1.792(3) . ?
P2 C41 1.810(3) . ?
P2 P3 2.6772(11) . ?
P3 C1 1.786(3) . ?
P3 C31 1.809(3) . ?
P3 C11 1.797(3) . ?
C10 O10 1.132(4) . ?
C20 O20 1.122(4) . ?
C30 O30 1.124(4) . ?
C40 O40 1.121(4) . ?
N91 C91 1.129(5) . ?
N92 C92 1.131(6) . ?
N93 C93 1.122(4) . ?
C1 C2 1.385(4) . ?
C2 C3 1.406(4) . ?
C2 C93 1.455(4) . ?
C3 C8 1.413(4) . ?
C3 C4 1.418(4) . ?
C4 C5 1.341(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.405(5) . ?
C5 H5 0.9300 . ?
C6 C9 1.386(4) . ?
C6 C7 1.405(4) . ?
C7 C8 1.354(4) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C92 1.396(5) . ?
C9 C91 1.413(5) . ?
C11 C12 1.375(5) . ?
C11 C16 1.379(5) . ?
C12 C13 1.345(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.376(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.362(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.381(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C26 1.375(5) . ?
C21 C22 1.373(5) . ?
C22 C23 1.367(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.345(8) . ?
C23 H23 0.9300 . ?
C24 C25 1.360(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.360(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C32 1.370(5) . ?
C31 C36 1.388(4) . ?
C32 C33 1.379(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.357(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.364(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.371(6) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C42 1.370(4) . ?
C41 C46 1.377(4) . ?
C42 C43 1.395(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.371(6) . ?
C43 H43 0.9300 . ?
C44 C45 1.330(6) . ?
C44 H44 0.9300 . ?
C45 C46 1.396(5) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
