#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/27/4312712.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_4312712
loop_
_publ_author_name
'Daniele Belletti'
'Claudia Graiff'
'Chiara Massera'
'Alex Minarelli'
'Giovanni Predieri'
'Antonio Tiripicchio'
'Domenico Acquotti'
_publ_contact_author
;
  Dr. Claudia Graiff
  Dipartimento di Chimica GIAF, Universita' di Parma
  Parco Area delle Scienze 17/A, I-43100 Parma, Italy
;
_publ_contact_author_email       claudia.graiff@unipr.it
_publ_section_title
;
 Reactivity of Ph2P(Se)CH2C6H4CH2P(Se)Ph2 with [M3(CO)12] (M = Ru or Fe).
 Synthesis and Characterization of the New Carbene Cluster
 [Ru3(μ3-Se)(μ3-H)(μ2-PPh2)(CO)6(μ2-CHC6H4CH2PPh2)]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8509
_journal_page_last               8518
_journal_paper_doi               10.1021/ic034887m
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C39 H28 Fe3 O7 P2 Se2'
_chemical_formula_weight         996.02
_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                 102.530(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.451(4)
_cell_length_b                   18.732(5)
_cell_length_c                   18.798(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3936(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.898
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measurement_device_type  'Bruker AXS Smart 1000'
_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  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0556
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23231
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    3.069
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.997
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         8764
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0386
_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)+(0.0512P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0980
_reflns_number_gt                5462
_reflns_number_total             8764
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034887msi20030730_124443_5.cif
_cod_data_source_block           pruebah
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               4312712
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
Fe1 Fe 0.26160(4) 0.15862(3) 0.26763(3) 0.02964(12) Uani 1 1 d . . .
Fe2 Fe 0.29875(5) 0.03222(3) 0.13100(3) 0.04361(15) Uani 1 1 d . . .
Fe3 Fe 0.10668(5) 0.10200(3) 0.14187(3) 0.04077(15) Uani 1 1 d . . .
Se1 Se 0.22706(4) 0.037691(19) 0.24038(2) 0.03745(11) Uani 1 1 d . . .
Se2 Se 0.29585(4) 0.15770(2) 0.14831(2) 0.03958(11) Uani 1 1 d . . .
P1 P 0.18281(8) 0.14823(5) 0.36781(5) 0.0330(2) Uani 1 1 d . . .
P2 P 0.26564(8) 0.27969(5) 0.26309(5) 0.0327(2) Uani 1 1 d . . .
O1 O 0.5038(2) 0.13676(16) 0.34737(16) 0.0535(8) Uani 1 1 d . . .
O2 O 0.2182(4) -0.11659(18) 0.1146(2) 0.0930(13) Uani 1 1 d . . .
O3 O 0.3100(4) 0.0486(2) -0.0225(2) 0.1035(14) Uani 1 1 d . . .
O4 O 0.5560(3) 0.0136(2) 0.1848(2) 0.0907(12) Uani 1 1 d . . .
O5 O -0.0728(3) 0.19569(16) 0.18316(18) 0.0634(9) Uani 1 1 d . . .
O6 O -0.0534(4) -0.0211(2) 0.1225(3) 0.1068(15) Uani 1 1 d . . .
O7 O 0.0450(4) 0.1492(2) -0.0093(2) 0.0956(13) Uani 1 1 d . . .
C1 C 0.4066(3) 0.14854(19) 0.3170(2) 0.0374(9) Uani 1 1 d . . .
C2 C 0.2492(4) -0.0591(3) 0.1199(3) 0.0596(12) Uani 1 1 d . . .
C3 C 0.3048(5) 0.0425(3) 0.0368(3) 0.0639(13) Uani 1 1 d . . .
C4 C 0.4555(4) 0.0198(2) 0.1645(3) 0.0558(12) Uani 1 1 d . . .
C5 C 0.0037(4) 0.1610(2) 0.1720(2) 0.0486(10) Uani 1 1 d . . .
C6 C 0.0091(4) 0.0268(3) 0.1299(3) 0.0648(14) Uani 1 1 d . . .
C7 C 0.0687(4) 0.1300(3) 0.0497(3) 0.0603(12) Uani 1 1 d . . .
C8 C 0.2187(4) 0.2188(2) 0.4384(2) 0.0452(10) Uani 1 1 d . . .
H8A H 0.1676 0.2599 0.4232 0.052(8) Uiso 1 1 calc R . .
H8B H 0.2019 0.2012 0.4836 0.052(8) Uiso 1 1 calc R . .
C9 C 0.3471(4) 0.2418(2) 0.4514(2) 0.0426(10) Uani 1 1 d . . .
C10 C 0.4336(4) 0.2108(2) 0.5066(2) 0.0575(12) Uani 1 1 d . . .
H10 H 0.4104 0.1762 0.5362 0.082(8) Uiso 1 1 calc R . .
C11 C 0.5515(5) 0.2301(3) 0.5184(3) 0.0765(16) Uani 1 1 d . . .
H11 H 0.6077 0.2079 0.5549 0.082(8) Uiso 1 1 calc R . .
C12 C 0.5868(5) 0.2823(3) 0.4761(3) 0.0828(17) Uani 1 1 d . . .
H12 H 0.6668 0.2957 0.4842 0.082(8) Uiso 1 1 calc R . .
C13 C 0.5032(4) 0.3148(3) 0.4215(3) 0.0613(13) Uani 1 1 d . . .
H13 H 0.5277 0.3499 0.3930 0.082(8) Uiso 1 1 calc R . .
C14 C 0.3839(4) 0.2958(2) 0.4087(2) 0.0435(10) Uani 1 1 d . . .
C15 C 0.2951(4) 0.33146(19) 0.3490(2) 0.0448(10) Uani 1 1 d . . .
H15A H 0.3249 0.3783 0.3400 0.052(8) Uiso 1 1 calc R . .
H15B H 0.2205 0.3380 0.3647 0.052(8) Uiso 1 1 calc R . .
C16 C 0.2228(3) 0.06923(19) 0.4273(2) 0.0343(8) Uani 1 1 d . . .
C17 C 0.3254(3) 0.02860(19) 0.4287(2) 0.0361(8) Uani 1 1 d . . .
H17 H 0.3744 0.0389 0.3965 0.056(6) Uiso 1 1 calc R . .
C18 C 0.3546(3) -0.0273(2) 0.4780(2) 0.0419(9) Uani 1 1 d . . .
H18 H 0.4223 -0.0547 0.4780 0.056(6) Uiso 1 1 calc R . .
C19 C 0.2848(4) -0.0424(2) 0.5265(2) 0.0474(10) Uani 1 1 d . . .
H19 H 0.3051 -0.0798 0.5594 0.056(6) Uiso 1 1 calc R . .
C20 C 0.1841(4) -0.0020(2) 0.5265(2) 0.0527(11) Uani 1 1 d . . .
H20 H 0.1369 -0.0119 0.5598 0.056(6) Uiso 1 1 calc R . .
C21 C 0.1530(4) 0.0532(2) 0.4770(2) 0.0492(11) Uani 1 1 d . . .
H21 H 0.0846 0.0799 0.4771 0.056(6) Uiso 1 1 calc R . .
C22 C 0.0193(3) 0.1418(2) 0.3492(2) 0.0398(9) Uani 1 1 d . . .
C23 C -0.0338(4) 0.0788(2) 0.3165(2) 0.0486(10) Uani 1 1 d . . .
H23 H 0.0145 0.0407 0.3094 0.070(7) Uiso 1 1 calc R . .
C24 C -0.1561(4) 0.0726(3) 0.2947(3) 0.0612(13) Uani 1 1 d . . .
H24 H -0.1899 0.0309 0.2724 0.070(7) Uiso 1 1 calc R . .
C25 C -0.2283(4) 0.1286(4) 0.3061(3) 0.0768(16) Uani 1 1 d . . .
H25 H -0.3110 0.1246 0.2913 0.070(7) Uiso 1 1 calc R . .
C26 C -0.1788(4) 0.1901(3) 0.3391(3) 0.0691(14) Uani 1 1 d . . .
H26 H -0.2280 0.2272 0.3475 0.070(7) Uiso 1 1 calc R . .
C27 C -0.0553(4) 0.1971(2) 0.3599(2) 0.0538(11) Uani 1 1 d . . .
H27 H -0.0224 0.2394 0.3813 0.070(7) Uiso 1 1 calc R . .
C28 C 0.1299(3) 0.32041(18) 0.2100(2) 0.0391(9) Uani 1 1 d . . .
C29 C 0.1040(4) 0.3165(2) 0.1346(2) 0.0506(11) Uani 1 1 d . . .
H29 H 0.1605 0.2976 0.1109 0.068(7) Uiso 1 1 calc R . .
C30 C -0.0044(4) 0.3403(3) 0.0939(3) 0.0683(14) Uani 1 1 d . . .
H30 H -0.0207 0.3374 0.0433 0.068(7) Uiso 1 1 calc R . .
C31 C -0.0881(4) 0.3683(3) 0.1286(4) 0.0782(17) Uani 1 1 d . . .
H31 H -0.1608 0.3847 0.1013 0.068(7) Uiso 1 1 calc R . .
C32 C -0.0655(4) 0.3724(3) 0.2028(3) 0.0719(15) Uani 1 1 d . . .
H32 H -0.1227 0.3912 0.2259 0.068(7) Uiso 1 1 calc R . .
C33 C 0.0420(4) 0.3486(2) 0.2433(3) 0.0552(11) Uani 1 1 d . . .
H33 H 0.0566 0.3514 0.2939 0.068(7) Uiso 1 1 calc R . .
C34 C 0.3849(3) 0.31906(19) 0.2234(2) 0.0360(8) Uani 1 1 d . . .
C35 C 0.3712(4) 0.3857(2) 0.1915(2) 0.0477(10) Uani 1 1 d . . .
H35 H 0.2977 0.4088 0.1841 0.065(6) Uiso 1 1 calc R . .
C36 C 0.4669(4) 0.4184(2) 0.1702(2) 0.0525(11) Uani 1 1 d . . .
H36 H 0.4567 0.4632 0.1485 0.065(6) Uiso 1 1 calc R . .
C37 C 0.5761(4) 0.3857(2) 0.1807(2) 0.0508(11) Uani 1 1 d . . .
H37 H 0.6399 0.4083 0.1669 0.065(6) Uiso 1 1 calc R . .
C38 C 0.5903(4) 0.3193(2) 0.2119(2) 0.0518(11) Uani 1 1 d . . .
H38 H 0.6642 0.2966 0.2189 0.065(6) Uiso 1 1 calc R . .
C39 C 0.4956(3) 0.2856(2) 0.2330(2) 0.0462(10) Uani 1 1 d . . .
H39 H 0.5061 0.2404 0.2538 0.065(6) 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
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C1 Fe1 P1 93.11(13) . . ?
C1 Fe1 P2 95.99(12) . . ?
P1 Fe1 P2 97.58(4) . . ?
C1 Fe1 Se1 96.26(12) . . ?
P1 Fe1 Se1 91.14(3) . . ?
P2 Fe1 Se1 164.54(4) . . ?
C1 Fe1 Se2 99.84(13) . . ?
P1 Fe1 Se2 165.38(3) . . ?
P2 Fe1 Se2 87.86(3) . . ?
Se1 Fe1 Se2 80.78(2) . . ?
C1 Fe1 Fe3 139.57(13) . . ?
P1 Fe1 Fe3 111.77(4) . . ?
P2 Fe1 Fe3 110.88(3) . . ?
Se1 Fe1 Fe3 53.792(18) . . ?
Se2 Fe1 Fe3 53.68(2) . . ?
C4 Fe2 C3 96.4(2) . . ?
C4 Fe2 C2 100.6(2) . . ?
C3 Fe2 C2 93.8(2) . . ?
C4 Fe2 Se2 97.14(15) . . ?
C3 Fe2 Se2 91.91(15) . . ?
C2 Fe2 Se2 160.61(15) . . ?
C4 Fe2 Se1 102.14(15) . . ?
C3 Fe2 Se1 160.46(17) . . ?
C2 Fe2 Se1 88.98(16) . . ?
Se2 Fe2 Se1 79.69(2) . . ?
C4 Fe2 Fe3 147.16(15) . . ?
C3 Fe2 Fe3 103.72(17) . . ?
C2 Fe2 Fe3 103.63(15) . . ?
Se2 Fe2 Fe3 56.99(2) . . ?
Se1 Fe2 Fe3 56.92(2) . . ?
C7 Fe3 C6 95.5(2) . . ?
C7 Fe3 C5 95.0(2) . . ?
C6 Fe3 C5 95.1(2) . . ?
C7 Fe3 Se1 152.60(17) . . ?
C6 Fe3 Se1 86.54(15) . . ?
C5 Fe3 Se1 112.03(14) . . ?
C7 Fe3 Se2 87.01(15) . . ?
C6 Fe3 Se2 152.96(17) . . ?
C5 Fe3 Se2 111.50(13) . . ?
Se1 Fe3 Se2 79.37(3) . . ?
C7 Fe3 Fe2 95.97(16) . . ?
C6 Fe3 Fe2 96.35(17) . . ?
C5 Fe3 Fe2 163.23(14) . . ?
Se1 Fe3 Fe2 56.70(2) . . ?
Se2 Fe3 Fe2 56.64(3) . . ?
C7 Fe3 Fe1 132.94(15) . . ?
C6 Fe3 Fe1 131.51(16) . . ?
C5 Fe3 Fe1 80.89(14) . . ?
Se1 Fe3 Fe1 52.35(2) . . ?
Se2 Fe3 Fe1 52.89(2) . . ?
Fe2 Fe3 Fe1 82.35(3) . . ?
Fe1 Se1 Fe2 99.07(2) . . ?
Fe1 Se1 Fe3 73.86(2) . . ?
Fe2 Se1 Fe3 66.38(3) . . ?
Fe1 Se2 Fe2 98.49(2) . . ?
Fe1 Se2 Fe3 73.43(2) . . ?
Fe2 Se2 Fe3 66.38(2) . . ?
C22 P1 C16 99.86(16) . . ?
C22 P1 C8 104.03(18) . . ?
C16 P1 C8 98.65(18) . . ?
C22 P1 Fe1 114.92(13) . . ?
C16 P1 Fe1 118.67(12) . . ?
C8 P1 Fe1 117.81(13) . . ?
C28 P2 C34 103.27(18) . . ?
C28 P2 C15 103.32(18) . . ?
C34 P2 C15 97.62(18) . . ?
C28 P2 Fe1 114.63(12) . . ?
C34 P2 Fe1 115.92(12) . . ?
C15 P2 Fe1 119.48(13) . . ?
O1 C1 Fe1 174.7(4) . . ?
O2 C2 Fe2 178.3(5) . . ?
O3 C3 Fe2 179.1(5) . . ?
O4 C4 Fe2 177.9(5) . . ?
O5 C5 Fe3 170.9(4) . . ?
O6 C6 Fe3 179.7(6) . . ?
O7 C7 Fe3 178.8(5) . . ?
C9 C8 P1 112.2(3) . . ?
C10 C9 C14 118.0(4) . . ?
C10 C9 C8 121.0(4) . . ?
C14 C9 C8 121.0(4) . . ?
C11 C10 C9 121.8(4) . . ?
C10 C11 C12 119.8(5) . . ?
C13 C12 C11 119.9(5) . . ?
C12 C13 C14 121.0(4) . . ?
C13 C14 C9 119.4(4) . . ?
C13 C14 C15 120.0(4) . . ?
C9 C14 C15 120.5(4) . . ?
C14 C15 P2 112.7(3) . . ?
C17 C16 C21 118.4(3) . . ?
C17 C16 P1 123.0(3) . . ?
C21 C16 P1 118.5(3) . . ?
C16 C17 C18 120.2(4) . . ?
C19 C18 C17 120.7(4) . . ?
C18 C19 C20 119.7(4) . . ?
C19 C20 C21 120.2(4) . . ?
C20 C21 C16 120.8(4) . . ?
C27 C22 C23 118.0(4) . . ?
C27 C22 P1 124.0(3) . . ?
C23 C22 P1 117.8(3) . . ?
C24 C23 C22 121.1(4) . . ?
C23 C24 C25 119.6(5) . . ?
C26 C25 C24 120.4(4) . . ?
C25 C26 C27 120.2(5) . . ?
C22 C27 C26 120.6(5) . . ?
C29 C28 C33 117.6(4) . . ?
C29 C28 P2 120.4(3) . . ?
C33 C28 P2 121.6(3) . . ?
C30 C29 C28 121.0(4) . . ?
C31 C30 C29 119.7(5) . . ?
C30 C31 C32 120.6(4) . . ?
C33 C32 C31 119.9(5) . . ?
C32 C33 C28 121.3(5) . . ?
C35 C34 C39 118.6(4) . . ?
C35 C34 P2 120.9(3) . . ?
C39 C34 P2 120.1(3) . . ?
C34 C35 C36 120.2(4) . . ?
C37 C36 C35 121.0(4) . . ?
C38 C37 C36 119.3(4) . . ?
C37 C38 C39 120.5(4) . . ?
C38 C39 C34 120.4(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
Fe1 C1 1.728(4) . ?
Fe1 P1 2.2661(12) . ?
Fe1 P2 2.2704(12) . ?
Fe1 Se1 2.3371(8) . ?
Fe1 Se2 2.3593(9) . ?
Fe1 Fe3 2.8356(9) . ?
Fe2 C4 1.784(5) . ?
Fe2 C3 1.797(5) . ?
Fe2 C2 1.800(5) . ?
Fe2 Se2 2.3741(9) . ?
Fe2 Se1 2.3758(9) . ?
Fe2 Fe3 2.6043(11) . ?
Fe3 C7 1.772(5) . ?
Fe3 C6 1.781(5) . ?
Fe3 C5 1.795(5) . ?
Fe3 Se1 2.3818(8) . ?
Fe3 Se2 2.3836(10) . ?
P1 C22 1.833(4) . ?
P1 C16 1.852(4) . ?
P1 C8 1.855(4) . ?
P2 C28 1.822(4) . ?
P2 C34 1.846(4) . ?
P2 C15 1.850(4) . ?
O1 C1 1.157(4) . ?
O2 C2 1.132(5) . ?
O3 C3 1.136(6) . ?
O4 C4 1.137(5) . ?
O5 C5 1.146(5) . ?
O6 C6 1.139(5) . ?
O7 C7 1.141(5) . ?
C8 C9 1.500(5) . ?
C9 C10 1.396(6) . ?
C9 C14 1.412(5) . ?
C10 C11 1.369(7) . ?
C11 C12 1.375(7) . ?
C12 C13 1.384(6) . ?
C13 C14 1.382(6) . ?
C14 C15 1.499(5) . ?
C16 C17 1.395(5) . ?
C16 C21 1.388(5) . ?
C17 C18 1.390(5) . ?
C18 C19 1.366(6) . ?
C19 C20 1.380(6) . ?
C20 C21 1.385(5) . ?
C22 C27 1.386(5) . ?
C22 C23 1.406(6) . ?
C23 C24 1.375(6) . ?
C24 C25 1.382(7) . ?
C25 C26 1.370(7) . ?
C26 C27 1.389(6) . ?
C28 C29 1.386(6) . ?
C28 C33 1.399(6) . ?
C29 C30 1.384(6) . ?
C30 C31 1.375(7) . ?
C31 C32 1.363(7) . ?
C32 C33 1.373(6) . ?
C34 C35 1.379(5) . ?
C34 C39 1.390(5) . ?
C35 C36 1.387(6) . ?
C36 C37 1.367(6) . ?
C37 C38 1.369(6) . ?
C38 C39 1.386(5) . ?
