#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:57:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179712 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/14/7001480.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_7001480
loop_
_publ_author_name
'Fedushkin, Igor L.'
'Skatova, Alexandra A.'
'Lukoyanov, Anton N.'
'Khvoinova, Nalalie M.'
'Piskunov, Alexander V.'
'Nikipelov, Alexander S.'
'Fukin, Georgy K.'
'Lysenko, Konstantin A.'
'Irran, Elisabeth'
'Schumann, Herbert'
_publ_section_title
;
 1,2-Bis(imino)acenaphthene complexes of molybdenum and nickel
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4689
_journal_page_last               4694
_journal_paper_doi               10.1039/b902709b
_journal_year                    2009
_chemical_formula_sum            'C44 H48 N2 Ni P2 Si2'
_chemical_formula_weight         781.67
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.5790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.7917(5)
_cell_length_b                   14.5028(4)
_cell_length_c                   17.5770(5)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     3982.8(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31225
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_T_max  0.9677
_exptl_absorpt_correction_T_min  0.8791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998a)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.572
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         7005
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0450
_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)+(0.0543P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.1031
_reflns_number_gt                5356
_reflns_number_total             7005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902709b.txt
_cod_data_source_block           nibianm
_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_original_cell_volume        3982.78(19)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7001480
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_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
Ni1 Ni 0.244145(14) 0.170216(17) 0.124940(14) 0.01819(6) Uani 1 1 d . . .
Si1 Si 0.36765(3) 0.07815(4) 0.04828(3) 0.02172(14) Uani 1 1 d . . .
Si2 Si 0.08176(3) 0.07125(4) -0.10262(3) 0.02542(15) Uani 1 1 d . . .
P1 P 0.17397(3) 0.26050(4) 0.16720(3) 0.01935(12) Uani 1 1 d . . .
P2 P 0.29244(3) 0.09376(4) 0.24657(3) 0.01937(12) Uani 1 1 d . . .
N1 N 0.28295(9) 0.13659(11) 0.04527(9) 0.0209(4) Uani 1 1 d . . .
N2 N 0.09722(10) 0.18944(12) -0.09581(10) 0.0237(4) Uani 1 1 d . . .
C1 C 0.24915(11) 0.22298(13) 0.02322(11) 0.0187(5) Uani 1 1 d . . .
C2 C 0.15921(11) 0.24250(14) -0.04733(11) 0.0202(5) Uani 1 1 d . . .
C3 C 0.15272(12) 0.34509(14) -0.05508(11) 0.0218(5) Uani 1 1 d . . .
C4 C 0.23385(11) 0.38210(14) -0.00175(11) 0.0211(5) Uani 1 1 d . . .
C5 C 0.29544(11) 0.31329(13) 0.04385(11) 0.0205(5) Uani 1 1 d . . .
C6 C 0.37870(12) 0.33943(14) 0.09370(12) 0.0247(5) Uani 1 1 d . . .
H6A H 0.4220 0.2948 0.1238 0.030 Uiso 1 1 calc R . .
C7 C 0.39948(13) 0.43509(15) 0.09972(13) 0.0318(6) Uani 1 1 d . . .
H7A H 0.4574 0.4533 0.1346 0.038 Uiso 1 1 calc R . .
C8 C 0.33920(13) 0.50156(15) 0.05723(13) 0.0310(5) Uani 1 1 d . . .
H8A H 0.3555 0.5646 0.0637 0.037 Uiso 1 1 calc R . .
C9 C 0.25249(12) 0.47658(14) 0.00359(12) 0.0257(5) Uani 1 1 d . . .
C10 C 0.18204(13) 0.53475(15) -0.04750(12) 0.0309(5) Uani 1 1 d . . .
H10A H 0.1902 0.5996 -0.0457 0.037 Uiso 1 1 calc R . .
C11 C 0.10258(13) 0.49882(15) -0.09920(12) 0.0317(6) Uani 1 1 d . . .
H11A H 0.0568 0.5397 -0.1325 0.038 Uiso 1 1 calc R . .
C12 C 0.08597(12) 0.40336(15) -0.10498(12) 0.0274(5) Uani 1 1 d . . .
H12A H 0.0304 0.3799 -0.1422 0.033 Uiso 1 1 calc R . .
C13 C 0.34036(14) -0.04747(14) 0.03083(13) 0.0317(6) Uani 1 1 d . . .
H13A H 0.2916 -0.0566 -0.0270 0.048 Uiso 1 1 calc R . .
H13B H 0.3254 -0.0694 0.0746 0.048 Uiso 1 1 calc R . .
H13C H 0.3898 -0.0822 0.0358 0.048 Uiso 1 1 calc R . .
C14 C 0.47220(12) 0.08769(16) 0.14994(13) 0.0308(6) Uani 1 1 d . . .
H14A H 0.4950 0.1502 0.1549 0.046 Uiso 1 1 calc R . .
H14B H 0.5128 0.0431 0.1483 0.046 Uiso 1 1 calc R . .
H14C H 0.4637 0.0747 0.2000 0.046 Uiso 1 1 calc R . .
C15 C 0.38729(13) 0.11820(16) -0.04140(13) 0.0330(6) Uani 1 1 d . . .
H15A H 0.3981 0.1848 -0.0361 0.050 Uiso 1 1 calc R . .
H15B H 0.3370 0.1049 -0.0972 0.050 Uiso 1 1 calc R . .
H15C H 0.4372 0.0860 -0.0381 0.050 Uiso 1 1 calc R . .
C16 C -0.03633(13) 0.05693(17) -0.17068(14) 0.0383(6) Uani 1 1 d . . .
H16A H -0.0554 0.0888 -0.2261 0.057 Uiso 1 1 calc R . .
H16B H -0.0654 0.0833 -0.1404 0.057 Uiso 1 1 calc R . .
H16C H -0.0502 -0.0088 -0.1813 0.057 Uiso 1 1 calc R . .
C17 C 0.11154(13) 0.01447(15) 0.00329(12) 0.0290(5) Uani 1 1 d . . .
H17A H 0.1706 -0.0079 0.0288 0.044 Uiso 1 1 calc R . .
H17B H 0.0730 -0.0376 -0.0059 0.044 Uiso 1 1 calc R . .
H17C H 0.1067 0.0591 0.0426 0.044 Uiso 1 1 calc R . .
C18 C 0.13307(13) 0.01968(15) -0.16354(12) 0.0325(6) Uani 1 1 d . . .
H18A H 0.1941 0.0352 -0.1345 0.049 Uiso 1 1 calc R . .
H18B H 0.1058 0.0442 -0.2227 0.049 Uiso 1 1 calc R . .
H18C H 0.1263 -0.0475 -0.1655 0.049 Uiso 1 1 calc R . .
C19 C 0.18490(11) 0.38603(14) 0.16427(11) 0.0198(5) Uani 1 1 d . . .
C20 C 0.26596(12) 0.42435(14) 0.21005(12) 0.0246(5) Uani 1 1 d . . .
H20A H 0.3141 0.3855 0.2411 0.030 Uiso 1 1 calc R . .
C21 C 0.27708(13) 0.51877(15) 0.21080(12) 0.0283(6) Uani 1 1 d . . .
H21A H 0.3326 0.5445 0.2438 0.034 Uiso 1 1 calc R . .
C22 C 0.20800(13) 0.57573(15) 0.16386(12) 0.0284(6) Uani 1 1 d . . .
H22A H 0.2158 0.6406 0.1649 0.034 Uiso 1 1 calc R . .
C23 C 0.12707(13) 0.53799(14) 0.11516(12) 0.0274(5) Uani 1 1 d . . .
H23A H 0.0796 0.5770 0.0818 0.033 Uiso 1 1 calc R . .
C24 C 0.11540(12) 0.44346(14) 0.11516(12) 0.0231(5) Uani 1 1 d . . .
H24A H 0.0600 0.4178 0.0817 0.028 Uiso 1 1 calc R . .
C25 C 0.05799(12) 0.24449(13) 0.12239(12) 0.0220(5) Uani 1 1 d . . .
C26 C 0.00718(12) 0.23684(14) 0.03275(13) 0.0265(5) Uani 1 1 d . . .
H26A H 0.0332 0.2378 -0.0034 0.032 Uiso 1 1 calc R . .
C27 C -0.08035(13) 0.22792(14) -0.00378(14) 0.0302(6) Uani 1 1 d . . .
H27A H -0.1143 0.2237 -0.0649 0.036 Uiso 1 1 calc R . .
C28 C -0.11897(13) 0.22501(14) 0.04858(14) 0.0319(6) Uani 1 1 d . . .
H28A H -0.1793 0.2181 0.0233 0.038 Uiso 1 1 calc R . .
C29 C -0.06997(13) 0.23211(15) 0.13688(14) 0.0327(6) Uani 1 1 d . . .
H29A H -0.0965 0.2298 0.1726 0.039 Uiso 1 1 calc R . .
C30 C 0.01838(12) 0.24259(14) 0.17441(13) 0.0278(5) Uani 1 1 d . . .
H30A H 0.0518 0.2485 0.2355 0.033 Uiso 1 1 calc R . .
C31 C 0.21730(12) 0.23637(14) 0.28356(11) 0.0224(5) Uani 1 1 d . . .
H31A H 0.2732 0.2674 0.3171 0.027 Uiso 1 1 calc R . .
H31B H 0.1777 0.2597 0.3038 0.027 Uiso 1 1 calc R . .
C32 C 0.22793(11) 0.13294(14) 0.29656(12) 0.0225(5) Uani 1 1 d . . .
H32A H 0.1713 0.1023 0.2688 0.027 Uiso 1 1 calc R . .
H32B H 0.2572 0.1179 0.3591 0.027 Uiso 1 1 calc R . .
C33 C 0.30397(11) -0.03066(13) 0.26741(11) 0.0201(5) Uani 1 1 d . . .
C34 C 0.25896(13) -0.07793(15) 0.30129(13) 0.0288(6) Uani 1 1 d . . .
H34A H 0.2201 -0.0455 0.3142 0.035 Uiso 1 1 calc R . .
C35 C 0.27017(13) -0.17252(15) 0.31656(14) 0.0331(6) Uani 1 1 d . . .
H35A H 0.2389 -0.2040 0.3398 0.040 Uiso 1 1 calc R . .
C36 C 0.32648(13) -0.22088(14) 0.29810(13) 0.0293(6) Uani 1 1 d . . .
H36A H 0.3342 -0.2853 0.3086 0.035 Uiso 1 1 calc R . .
C37 C 0.37102(14) -0.17426(15) 0.26435(13) 0.0334(6) Uani 1 1 d . . .
H37A H 0.4101 -0.2068 0.2518 0.040 Uiso 1 1 calc R . .
C38 C 0.35968(13) -0.08081(15) 0.24842(12) 0.0305(6) Uani 1 1 d . . .
H38A H 0.3904 -0.0501 0.2241 0.037 Uiso 1 1 calc R . .
C39 C 0.39717(11) 0.13740(14) 0.32839(11) 0.0200(5) Uani 1 1 d . . .
C40 C 0.43532(12) 0.20939(14) 0.30721(12) 0.0248(5) Uani 1 1 d . . .
H40A H 0.4095 0.2317 0.2494 0.030 Uiso 1 1 calc R . .
C41 C 0.51020(12) 0.24886(15) 0.36910(12) 0.0272(5) Uani 1 1 d . . .
H41A H 0.5355 0.2980 0.3536 0.033 Uiso 1 1 calc R . .
C42 C 0.54886(12) 0.21729(14) 0.45383(12) 0.0270(6) Uani 1 1 d . . .
H42A H 0.6003 0.2448 0.4965 0.032 Uiso 1 1 calc R . .
C43 C 0.51165(12) 0.14503(14) 0.47583(13) 0.0267(6) Uani 1 1 d . . .
H43A H 0.5378 0.1228 0.5337 0.032 Uiso 1 1 calc R . .
C44 C 0.43658(12) 0.10548(14) 0.41349(12) 0.0235(5) Uani 1 1 d . . .
H44A H 0.4116 0.0559 0.4289 0.028 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'
Si Si 0.0817 0.0704 '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'
Ni Ni 0.3393 1.1124 '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 Ni1 C1 41.03(7) . . ?
N1 Ni1 P1 151.57(5) . . ?
C1 Ni1 P1 110.89(6) . . ?
N1 Ni1 P2 118.67(5) . . ?
C1 Ni1 P2 155.50(6) . . ?
P1 Ni1 P2 89.58(2) . . ?
N1 Si1 C15 109.81(9) . . ?
N1 Si1 C14 116.93(9) . . ?
C15 Si1 C14 106.39(10) . . ?
N1 Si1 C13 108.78(9) . . ?
C15 Si1 C13 107.68(11) . . ?
C14 Si1 C13 106.87(9) . . ?
N2 Si2 C18 109.37(10) . . ?
N2 Si2 C17 114.09(9) . . ?
C18 Si2 C17 114.38(10) . . ?
N2 Si2 C16 104.32(10) . . ?
C18 Si2 C16 107.32(10) . . ?
C17 Si2 C16 106.60(10) . . ?
C19 P1 C25 103.05(9) . . ?
C19 P1 C31 103.07(9) . . ?
C25 P1 C31 103.87(9) . . ?
C19 P1 Ni1 120.20(7) . . ?
C25 P1 Ni1 119.26(7) . . ?
C31 P1 Ni1 105.17(7) . . ?
C33 P2 C39 102.01(8) . . ?
C33 P2 C32 104.16(10) . . ?
C39 P2 C32 98.67(9) . . ?
C33 P2 Ni1 130.44(6) . . ?
C39 P2 Ni1 111.57(7) . . ?
C32 P2 Ni1 105.51(6) . . ?
C1 N1 Si1 136.70(15) . . ?
C1 N1 Ni1 72.95(11) . . ?
Si1 N1 Ni1 137.05(9) . . ?
C2 N2 Si2 134.40(14) . . ?
N1 C1 C5 128.21(15) . . ?
N1 C1 C2 123.77(16) . . ?
C5 C1 C2 106.21(15) . . ?
N1 C1 Ni1 66.02(10) . . ?
C5 C1 Ni1 112.06(12) . . ?
C2 C1 Ni1 108.98(13) . . ?
N2 C2 C3 122.29(16) . . ?
N2 C2 C1 132.20(18) . . ?
C3 C2 C1 105.48(15) . . ?
C12 C3 C4 119.36(18) . . ?
C12 C3 C2 132.44(17) . . ?
C4 C3 C2 108.14(16) . . ?
C3 C4 C9 123.72(17) . . ?
C3 C4 C5 112.37(17) . . ?
C9 C4 C5 123.88(16) . . ?
C6 C5 C4 118.46(18) . . ?
C6 C5 C1 134.50(17) . . ?
C4 C5 C1 107.03(15) . . ?
C5 C6 C7 118.74(18) . . ?
C8 C7 C6 122.50(18) . . ?
C7 C8 C9 120.17(19) . . ?
C4 C9 C8 116.21(17) . . ?
C4 C9 C10 115.45(17) . . ?
C8 C9 C10 128.3(2) . . ?
C11 C10 C9 120.9(2) . . ?
C10 C11 C12 122.50(19) . . ?
C3 C12 C11 118.01(17) . . ?
C20 C19 C24 119.16(18) . . ?
C20 C19 P1 118.41(14) . . ?
C24 C19 P1 122.38(14) . . ?
C21 C20 C19 120.42(18) . . ?
C22 C21 C20 120.32(18) . . ?
C21 C22 C23 119.8(2) . . ?
C24 C23 C22 120.07(18) . . ?
C23 C24 C19 120.13(17) . . ?
C26 C25 C30 118.70(18) . . ?
C26 C25 P1 118.81(16) . . ?
C30 C25 P1 122.46(14) . . ?
C27 C26 C25 120.7(2) . . ?
C26 C27 C28 120.11(19) . . ?
C29 C28 C27 119.96(19) . . ?
C28 C29 C30 120.4(2) . . ?
C29 C30 C25 120.08(19) . . ?
C32 C31 P1 108.14(13) . . ?
C31 C32 P2 107.17(14) . . ?
C34 C33 C38 117.92(19) . . ?
C34 C33 P2 122.70(16) . . ?
C38 C33 P2 119.38(16) . . ?
C33 C34 C35 120.7(2) . . ?
C36 C35 C34 120.5(2) . . ?
C37 C36 C35 119.0(2) . . ?
C36 C37 C38 120.9(2) . . ?
C37 C38 C33 121.1(2) . . ?
C40 C39 C44 118.55(16) . . ?
C40 C39 P2 119.44(13) . . ?
C44 C39 P2 121.80(15) . . ?
C41 C40 C39 120.81(18) . . ?
C40 C41 C42 120.4(2) . . ?
C41 C42 C43 119.39(17) . . ?
C44 C43 C42 120.02(18) . . ?
C43 C44 C39 120.8(2) . . ?
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
Ni1 N1 1.8976(17) . ?
Ni1 C1 1.9856(19) . ?
Ni1 P1 2.1708(6) . ?
Ni1 P2 2.1865(5) . ?
Si1 N1 1.7076(17) . ?
Si1 C15 1.863(2) . ?
Si1 C14 1.8687(19) . ?
Si1 C13 1.873(2) . ?
Si2 N2 1.7311(18) . ?
Si2 C18 1.864(2) . ?
Si2 C17 1.866(2) . ?
Si2 C16 1.867(2) . ?
P1 C19 1.834(2) . ?
P1 C25 1.8377(19) . ?
P1 C31 1.8415(19) . ?
P2 C33 1.833(2) . ?
P2 C39 1.8377(17) . ?
P2 C32 1.838(2) . ?
N1 C1 1.363(2) . ?
N2 C2 1.279(2) . ?
C1 C5 1.496(3) . ?
C1 C2 1.510(2) . ?
C2 C3 1.493(3) . ?
C3 C12 1.377(3) . ?
C3 C4 1.398(2) . ?
C4 C9 1.402(3) . ?
C4 C5 1.414(3) . ?
C5 C6 1.365(2) . ?
C6 C7 1.427(3) . ?
C7 C8 1.368(3) . ?
C8 C9 1.417(3) . ?
C9 C10 1.419(3) . ?
C10 C11 1.366(3) . ?
C11 C12 1.409(3) . ?
C19 C20 1.388(3) . ?
C19 C24 1.395(3) . ?
C20 C21 1.383(3) . ?
C21 C22 1.380(3) . ?
C22 C23 1.388(3) . ?
C23 C24 1.387(3) . ?
C25 C26 1.396(3) . ?
C25 C30 1.396(3) . ?
C26 C27 1.377(3) . ?
C27 C28 1.388(3) . ?
C28 C29 1.373(3) . ?
C29 C30 1.392(3) . ?
C31 C32 1.516(3) . ?
C33 C34 1.386(3) . ?
C33 C38 1.393(3) . ?
C34 C35 1.394(3) . ?
C35 C36 1.383(3) . ?
C36 C37 1.374(3) . ?
C37 C38 1.379(3) . ?
C39 C40 1.390(3) . ?
C39 C44 1.393(3) . ?
C40 C41 1.378(3) . ?
C41 C42 1.386(3) . ?
C42 C43 1.389(3) . ?
C43 C44 1.383(3) . ?
