#------------------------------------------------------------------------------
#$Date: 2019-11-23 16:26:09 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233992 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/94/4349445.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_4349445
loop_
_publ_author_name
'Aroua, Safwan'
'Todorova, Tanya K.'
'Hommes, Paul'
'Chamoreau, Lise-Marie'
'Reissig, Hans-Ulrich'
'Mougel, Victor'
'Fontecave, Marc'
_publ_section_title
;
 Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based
 Molecular Cobalt Complexes.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5930
_journal_page_last               5940
_journal_paper_doi               10.1021/acs.inorgchem.7b00595
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C46 H30 Co N6, 2(F6 P), C7 H8'
_chemical_formula_sum            'C53 H38 Co F12 N6 P2'
_chemical_formula_weight         1107.76
_space_group_crystal_system      orthorhombic
_space_group_IT_number           72
_space_group_name_Hall           '-I 2 2c'
_space_group_name_H-M_alt        'I b a m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.8450(8)
_cell_length_b                   19.0580(7)
_cell_length_c                   26.3274(10)
_cell_measurement_reflns_used    5852
_cell_measurement_temperature    200(1)
_cell_measurement_theta_max      66.69
_cell_measurement_theta_min      3.36
_cell_volume                     9455.4(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(1)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_source         micro-source
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            20858
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        66.500
_diffrn_reflns_theta_max         66.685
_diffrn_reflns_theta_min         3.298
_exptl_absorpt_coefficient_mu    4.312
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             4504
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         4263
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0572P)²+14.0456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                3521
_reflns_number_total             4263
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            crystal_structures1.cif
_cod_data_source_block           C5
_cod_database_code               4349445
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1, y+1, -z+1/2'
'x+1, -y+1, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x, -y, z+1/2'
'-x, y, 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
Co1 Co 0.5000 0.5000 0.2500 0.01983(17) Uani 1 4 d S T P
Co2 Co 0.0000 0.5000 0.2500 0.02001(17) Uani 1 4 d S T P
P1 P 0.26054(5) 0.28831(5) 0.0000 0.0341(2) Uani 1 2 d S T P
P2 P 0.2500 0.2500 0.2500 0.0369(2) Uani 1 2 d S . P
F1 F 0.26024(9) 0.28761(11) 0.06056(6) 0.0551(5) Uani 1 1 d . . .
F2 F 0.28272(18) 0.36826(15) 0.0000 0.0816(9) Uani 1 2 d S T P
F3 F 0.34184(12) 0.26516(16) 0.0000 0.0619(7) Uani 1 2 d S T P
F4 F 0.23687(12) 0.20779(12) 0.0000 0.0462(5) Uani 1 2 d S T P
F5 F 0.17878(12) 0.31071(12) 0.0000 0.0487(6) Uani 1 2 d S T P
F6 F 0.20048(12) 0.31659(11) 0.25777(9) 0.0761(6) Uani 1 1 d . . .
F7 F 0.31802(11) 0.29945(11) 0.25124(9) 0.0745(6) Uani 1 1 d . . .
F8 F 0.25608(12) 0.23803(12) 0.30925(8) 0.0756(7) Uani 1 1 d . . .
N1 N 0.47076(10) 0.42100(9) 0.18889(7) 0.0243(4) Uani 1 1 d . . .
N2 N 0.39157(13) 0.5000 0.2500 0.0234(5) Uani 1 2 d S T P
N3 N 0.07940(10) 0.52816(10) 0.31172(7) 0.0258(4) Uani 1 1 d . . .
N4 N 0.0000 0.60649(13) 0.2500 0.0227(5) Uani 1 2 d S T P
C1 C 0.51358(13) 0.38383(12) 0.15591(8) 0.0282(5) Uani 1 1 d . . .
C2 C 0.58758(13) 0.38249(12) 0.16307(9) 0.0323(5) Uani 1 1 d . . .
H2 H 0.6080 0.4065 0.1911 0.039 Uiso 1 1 calc R U .
C3 C 0.63038(14) 0.34668(14) 0.12984(10) 0.0396(6) Uani 1 1 d . . .
H3 H 0.6802 0.3460 0.1353 0.048 Uiso 1 1 calc R U .
C4 C 0.60211(16) 0.31121(15) 0.08813(10) 0.0466(7) Uani 1 1 d . . .
H4 H 0.6327 0.2884 0.0647 0.056 Uiso 1 1 calc R U .
C5 C 0.53077(17) 0.30945(16) 0.08116(10) 0.0488(7) Uani 1 1 d . . .
H5 H 0.5116 0.2841 0.0533 0.059 Uiso 1 1 calc R U .
C6 C 0.48490(15) 0.34481(14) 0.11477(9) 0.0380(6) Uani 1 1 d . . .
C7 C 0.41055(16) 0.34316(16) 0.10929(11) 0.0490(7) Uani 1 1 d . . .
H7 H 0.3897 0.3173 0.0823 0.059 Uiso 1 1 calc R U .
C8 C 0.36876(14) 0.37854(15) 0.14260(10) 0.0431(7) Uani 1 1 d . . .
H8 H 0.3186 0.3768 0.1396 0.052 Uiso 1 1 calc R U .
C9 C 0.40068(12) 0.41790(12) 0.18169(8) 0.0280(5) Uani 1 1 d . . .
C10 C 0.35622(12) 0.45910(12) 0.21681(8) 0.0255(5) Uani 1 1 d . . .
C11 C 0.28256(13) 0.45753(14) 0.21670(9) 0.0353(6) Uani 1 1 d . . .
H11 H 0.2576 0.4276 0.1940 0.042 Uiso 1 1 calc R U .
C12 C 0.24628(17) 0.5000 0.2500 0.0410(10) Uani 1 2 d S T P
H12 H 0.1959 0.5000 0.2500 0.049 Uiso 1 2 calc R U P
C13 C 0.11658(12) 0.48586(13) 0.34475(9) 0.0294(5) Uani 1 1 d . . .
C14 C 0.12006(14) 0.41279(14) 0.33684(10) 0.0374(6) Uani 1 1 d . . .
H14 H 0.0976 0.3928 0.3080 0.045 Uiso 1 1 calc R U .
C15 C 0.15538(16) 0.37046(16) 0.37015(11) 0.0471(7) Uani 1 1 d . . .
H15 H 0.1571 0.3213 0.3641 0.057 Uiso 1 1 calc R U .
C16 C 0.18915(17) 0.39818(18) 0.41308(11) 0.0559(8) Uani 1 1 d . . .
H16 H 0.2120 0.3678 0.4366 0.067 Uiso 1 1 calc R U .
C17 C 0.18914(17) 0.46880(18) 0.42096(11) 0.0542(8) Uani 1 1 d . . .
H17 H 0.2132 0.4876 0.4496 0.065 Uiso 1 1 calc R U .
C18 C 0.15383(14) 0.51435(15) 0.38703(9) 0.0391(6) Uani 1 1 d . . .
C19 C 0.15389(15) 0.58746(16) 0.39355(10) 0.0467(7) Uani 1 1 d . . .
H19 H 0.1783 0.6080 0.4214 0.056 Uiso 1 1 calc R U .
C20 C 0.11899(14) 0.62854(14) 0.35987(10) 0.0411(6) Uani 1 1 d . . .
H20 H 0.1199 0.6781 0.3634 0.049 Uiso 1 1 calc R U .
C21 C 0.08126(12) 0.59733(12) 0.31948(9) 0.0279(5) Uani 1 1 d . . .
C22 C 0.03994(12) 0.64148(12) 0.28385(8) 0.0274(5) Uani 1 1 d . . .
C23 C 0.04156(15) 0.71433(13) 0.28430(10) 0.0407(6) Uani 1 1 d . . .
H23 H 0.0707 0.7389 0.3078 0.049 Uiso 1 1 calc R U .
C24 C 0.0000 0.75006(18) 0.2500 0.0495(12) Uani 1 2 d S T P
H24 H 0.0000 0.7999 0.2500 0.059 Uiso 1 2 calc R U P
C25 C 0.0155(15) 0.3665(8) 0.5000 0.120(8) Uani 0.5 2 d DS T P
H25A H 0.0196 0.3497 0.4649 0.180 Uiso 0.25 1 calc R U P
H25B H 0.0585 0.3541 0.5189 0.180 Uiso 0.25 1 calc R U P
H25C H -0.0258 0.3446 0.5162 0.180 Uiso 0.25 1 calc R U P
C26 C 0.0064(13) 0.4449(8) 0.5000 0.074(6) Uani 0.5 2 d DS T P
C27 C -0.001(2) 0.4837(7) 0.4556(5) 0.082(8) Uani 0.5 1 d D . P
H27 H -0.0009 0.4594 0.4241 0.099 Uiso 0.5 1 calc R U P
C28 C -0.0078(12) 0.5560(6) 0.4551(6) 0.093(6) Uani 0.5 1 d D . P
H28 H -0.0101 0.5806 0.4238 0.112 Uiso 0.5 1 calc R U P
C29 C -0.0114(14) 0.5921(12) 0.5000 0.098(8) Uani 0.5 2 d DS T P
H29 H -0.0164 0.6417 0.5000 0.118 Uiso 0.5 2 calc R U P
C30 C 0.3687(8) 0.5221(16) 0.0000 0.129(9) Uani 0.5 2 d DS T P
H30A H 0.3513 0.5228 -0.0351 0.193 Uiso 0.25 1 calc R U P
H30B H 0.3460 0.4836 0.0185 0.193 Uiso 0.25 1 calc R U P
H30C H 0.3572 0.5668 0.0165 0.193 Uiso 0.25 1 calc R U P
C31 C 0.4485(7) 0.5116(6) 0.0000 0.064(3) Uani 0.5 2 d DS T P
C32 C 0.4863(9) 0.5087(10) 0.0453(4) 0.075(6) Uani 0.5 1 d D . P
H32 H 0.4623 0.5158 0.0766 0.090 Uiso 0.5 1 calc R U P
C33 C 0.5585(6) 0.4956(9) 0.0452(5) 0.095(5) Uani 0.5 1 d D . P
H33 H 0.5830 0.4907 0.0766 0.114 Uiso 0.5 1 calc R U P
C34 C 0.5953(10) 0.4894(12) 0.0000 0.099(7) Uani 0.5 2 d DS T P
H34 H 0.6450 0.4810 0.0000 0.119 Uiso 0.5 2 calc R U P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 '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
N2 Co1 N2 180.0 . 2_665
N2 Co1 N1 75.96(5) . 8_455
N2 Co1 N1 104.04(5) 2_665 8_455
N2 Co1 N1 104.04(5) . 7_545
N2 Co1 N1 75.96(5) 2_665 7_545
N1 Co1 N1 89.80(9) 8_455 7_545
N2 Co1 N1 104.04(5) . 2_665
N2 Co1 N1 75.96(5) 2_665 2_665
N1 Co1 N1 96.96(9) 8_455 2_665
N1 Co1 N1 151.92(9) 7_545 2_665
N2 Co1 N1 75.96(5) . .
N2 Co1 N1 104.04(5) 2_665 .
N1 Co1 N1 151.92(9) 8_455 .
N1 Co1 N1 96.96(9) 7_545 .
N1 Co1 N1 89.80(9) 2_665 .
N4 Co2 N4 180.0 2_565 .
N4 Co2 N3 103.66(5) 2_565 7_445
N4 Co2 N3 76.34(5) . 7_445
N4 Co2 N3 76.34(5) 2_565 8_455
N4 Co2 N3 103.66(5) . 8_455
N3 Co2 N3 88.74(9) 7_445 8_455
N4 Co2 N3 76.34(5) 2_565 2_565
N4 Co2 N3 103.66(5) . 2_565
N3 Co2 N3 97.67(9) 7_445 2_565
N3 Co2 N3 152.69(10) 8_455 2_565
N4 Co2 N3 103.66(5) 2_565 .
N4 Co2 N3 76.34(5) . .
N3 Co2 N3 152.69(10) 7_445 .
N3 Co2 N3 97.67(9) 8_455 .
N3 Co2 N3 88.74(9) 2_565 .
F2 P1 F3 90.73(18) . .
F2 P1 F1 90.52(8) . 10
F3 P1 F1 90.07(7) . 10
F2 P1 F1 90.52(8) . .
F3 P1 F1 90.06(7) . .
F1 P1 F1 178.95(17) 10 .
F2 P1 F4 179.13(17) . .
F3 P1 F4 90.15(15) . .
F1 P1 F4 89.48(8) 10 .
F1 P1 F4 89.48(8) . .
F2 P1 F5 89.85(16) . .
F3 P1 F5 179.42(16) . .
F1 P1 F5 89.93(7) 10 .
F1 P1 F5 89.93(7) . .
F4 P1 F5 89.27(13) . .
F8 P2 F8 180.0 13 .
F8 P2 F6 88.23(12) 13 .
F8 P2 F6 91.77(12) . .
F8 P2 F6 91.77(12) 13 13
F8 P2 F6 88.23(12) . 13
F6 P2 F6 180.0 . 13
F8 P2 F7 90.39(11) 13 13
F8 P2 F7 89.61(11) . 13
F6 P2 F7 90.15(12) . 13
F6 P2 F7 89.84(12) 13 13
F8 P2 F7 89.61(11) 13 .
F8 P2 F7 90.39(11) . .
F6 P2 F7 89.85(12) . .
F6 P2 F7 90.15(12) 13 .
F7 P2 F7 180.0 13 .
C9 N1 C1 117.78(19) . .
C9 N1 Co1 111.70(14) . .
C1 N1 Co1 130.06(15) . .
C10 N2 C10 120.7(3) . 8_455
C10 N2 Co1 119.64(14) . .
C10 N2 Co1 119.63(14) 8_455 .
C21 N3 C13 117.9(2) . .
C21 N3 Co2 111.09(15) . .
C13 N3 Co2 130.39(15) . .
C22 N4 C22 120.5(3) . 7_445
C22 N4 Co2 119.76(14) . .
C22 N4 Co2 119.76(14) 7_445 .
N1 C1 C2 120.3(2) . .
N1 C1 C6 121.7(2) . .
C2 C1 C6 118.0(2) . .
C3 C2 C1 120.4(2) . .
C2 C3 C4 121.2(3) . .
C5 C4 C3 119.8(2) . .
C4 C5 C6 120.7(3) . .
C5 C6 C7 122.4(2) . .
C5 C6 C1 119.7(3) . .
C7 C6 C1 117.9(2) . .
C8 C7 C6 120.0(2) . .
C7 C8 C9 119.3(2) . .
N1 C9 C8 123.3(2) . .
N1 C9 C10 116.71(19) . .
C8 C9 C10 120.0(2) . .
N2 C10 C11 120.5(2) . .
N2 C10 C9 115.7(2) . .
C11 C10 C9 123.7(2) . .
C12 C11 C10 118.9(2) . .
C11 C12 C11 120.4(3) . 8_455
N3 C13 C14 120.6(2) . .
N3 C13 C18 121.4(2) . .
C14 C13 C18 118.0(2) . .
C15 C14 C13 120.8(2) . .
C14 C15 C16 121.1(3) . .
C17 C16 C15 119.7(3) . .
C16 C17 C18 120.7(3) . .
C19 C18 C17 122.2(3) . .
C19 C18 C13 118.3(2) . .
C17 C18 C13 119.5(3) . .
C20 C19 C18 119.6(2) . .
C19 C20 C21 119.7(2) . .
N3 C21 C20 123.0(2) . .
N3 C21 C22 116.8(2) . .
C20 C21 C22 120.2(2) . .
N4 C22 C23 120.9(2) . .
N4 C22 C21 115.6(2) . .
C23 C22 C21 123.4(2) . .
C24 C23 C22 118.5(3) . .
C23 C24 C23 120.7(3) . 7_445
C27 C26 C27 114.6(16) 10_556 .
C27 C26 C25 122.6(8) 10_556 .
C27 C26 C25 122.6(8) . .
C28 C27 C26 123.1(16) . .
C29 C28 C27 120(2) . .
C28 C29 C28 119(2) . 10_556
C32 C31 C32 118.1(14) . 10
C32 C31 C30 120.9(7) . .
C32 C31 C30 120.9(7) 10 .
C33 C32 C31 120.7(12) . .
C32 C33 C34 120.7(17) . .
C33 C34 C33 119(2) 10 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N2 2.043(3) .
Co1 N2 2.043(3) 2_665
Co1 N1 2.2714(18) 8_455
Co1 N1 2.2714(18) 7_545
Co1 N1 2.2714(18) 2_665
Co1 N1 2.2714(18) .
Co2 N4 2.029(3) 2_565
Co2 N4 2.030(3) .
Co2 N3 2.2732(18) 7_445
Co2 N3 2.2732(18) 8_455
Co2 N3 2.2732(18) 2_565
Co2 N3 2.2732(18) .
P1 F2 1.580(3) .
P1 F3 1.594(2) .
P1 F1 1.5945(15) 10
P1 F1 1.5946(15) .
P1 F4 1.598(3) .
P1 F5 1.599(2) .
P2 F8 1.581(2) 13
P2 F8 1.581(2) .
P2 F6 1.5885(19) .
P2 F6 1.5885(19) 13
P2 F7 1.5913(19) 13
P2 F7 1.5913(19) .
N1 C9 1.335(3) .
N1 C1 1.381(3) .
N2 C10 1.347(3) .
N2 C10 1.347(3) 8_455
N3 C21 1.334(3) .
N3 C13 1.377(3) .
N4 C22 1.344(3) .
N4 C22 1.344(3) 7_445
C1 C2 1.407(3) .
C1 C6 1.421(3) .
C2 C3 1.372(3) .
C3 C4 1.395(4) .
C4 C5 1.357(4) .
C5 C6 1.409(4) .
C6 C7 1.409(4) .
C7 C8 1.358(4) .
C8 C9 1.408(3) .
C9 C10 1.474(3) .
C10 C11 1.389(3) .
C11 C12 1.375(3) .
C12 C11 1.375(3) 8_455
C13 C14 1.410(4) .
C13 C18 1.424(3) .
C14 C15 1.365(4) .
C15 C16 1.400(4) .
C16 C17 1.362(5) .
C17 C18 1.412(4) .
C18 C19 1.404(4) .
C19 C20 1.353(4) .
C20 C21 1.411(3) .
C21 C22 1.481(3) .
C22 C23 1.389(3) .
C23 C24 1.376(3) .
C24 C23 1.376(3) 7_445
C25 C26 1.504(16) .
C26 C27 1.389(12) 10_556
C26 C27 1.389(12) .
C27 C28 1.386(14) .
C28 C29 1.368(12) .
C29 C28 1.368(12) 10_556
C30 C31 1.516(15) .
C31 C32 1.389(10) .
C31 C32 1.389(10) 10
C32 C33 1.383(13) .
C33 C34 1.384(11) .
C34 C33 1.384(11) 10
