#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:45:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179126 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/88/4308830.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_4308830
loop_
_publ_author_name
'Markus Brym'
'Cameron Jones'
'James D. E. T. Wilton-Ely'
_publ_contact_author_name        'James D. Wilton-Ely'
_publ_section_title
;
Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3275
_journal_page_last               3282
_journal_paper_doi               10.1021/ic048532u
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C48 H50 Ag Cl Ir O P3'
_chemical_formula_weight         1071.31
_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                 104.21(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.390(3)
_cell_length_b                   15.254(3)
_cell_length_c                   22.148(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4385.3(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0471
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            33893
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    3.683
_exptl_absorpt_correction_T_max  0.697
_exptl_absorpt_correction_T_min  0.582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.815
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.00041(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         9842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0311
_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)+(0.0172P)²+7.6147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                8373
_reflns_number_total             9842
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048532usi20041027_113733_4.cif
_cod_data_source_block           compound_4
_cod_original_cell_volume        4385.5(15)
_cod_database_code               4308830
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
Ir1 Ir 0.310384(10) 0.142053(8) 0.399971(5) 0.01660(5) Uani 1 1 d . . .
Ag1 Ag -0.01013(2) 0.155468(19) 0.314585(12) 0.02557(8) Uani 1 1 d . . .
Cl1 Cl -0.16316(8) 0.15281(7) 0.23743(5) 0.0415(3) Uani 1 1 d . . .
P1 P 0.13629(7) 0.17518(6) 0.39739(4) 0.02119(19) Uani 1 1 d . . .
O1 O 0.4948(2) 0.02035(17) 0.43284(13) 0.0348(7) Uani 1 1 d . . .
C1 C 0.2069(3) 0.0813(2) 0.43004(14) 0.0225(8) Uani 1 1 d . . .
P2 P 0.41604(7) 0.26290(6) 0.43946(4) 0.01912(19) Uani 1 1 d . . .
C2 C 0.1804(3) -0.0056(2) 0.45432(17) 0.0268(8) Uani 1 1 d . . .
P3 P 0.30002(7) 0.14903(6) 0.29229(4) 0.01934(19) Uani 1 1 d . . .
C3 C 0.0785(3) -0.0388(3) 0.4107(2) 0.0422(11) Uani 1 1 d . . .
H3A H 0.0226 0.0019 0.4124 0.063 Uiso 1 1 calc R . .
H3B H 0.0622 -0.0971 0.4243 0.063 Uiso 1 1 calc R . .
H3C H 0.0863 -0.0422 0.3679 0.063 Uiso 1 1 calc R . .
C4 C 0.1655(5) 0.0052(3) 0.5199(2) 0.0580(15) Uani 1 1 d . . .
H4A H 0.2306 0.0238 0.5480 0.087 Uiso 1 1 calc R . .
H4B H 0.1440 -0.0509 0.5343 0.087 Uiso 1 1 calc R . .
H4C H 0.1125 0.0495 0.5196 0.087 Uiso 1 1 calc R . .
C5 C 0.2631(3) -0.0737(3) 0.4541(2) 0.0425(11) Uani 1 1 d . . .
H5A H 0.2745 -0.0781 0.4122 0.064 Uiso 1 1 calc R . .
H5B H 0.2407 -0.1307 0.4664 0.064 Uiso 1 1 calc R . .
H5C H 0.3273 -0.0562 0.4836 0.064 Uiso 1 1 calc R . .
C6 C 0.4239(3) 0.0653(2) 0.42066(15) 0.0227(7) Uani 1 1 d . . .
C7 C 0.1072(3) 0.2552(3) 0.45462(17) 0.0292(8) Uani 1 1 d . . .
H7 H 0.1204 0.3147 0.4393 0.035 Uiso 1 1 calc R . .
C8 C -0.0066(4) 0.2523(4) 0.4530(2) 0.0560(14) Uani 1 1 d . . .
H8A H -0.0240 0.1940 0.4671 0.067 Uiso 1 1 calc R . .
H8B H -0.0474 0.2608 0.4096 0.067 Uiso 1 1 calc R . .
C9 C -0.0362(4) 0.3239(5) 0.4949(3) 0.0733(19) Uani 1 1 d . . .
H9A H -0.0249 0.3827 0.4789 0.088 Uiso 1 1 calc R . .
H9B H -0.1100 0.3185 0.4946 0.088 Uiso 1 1 calc R . .
C10 C 0.0297(4) 0.3131(4) 0.5611(2) 0.0662(16) Uani 1 1 d . . .
H10A H 0.0125 0.3600 0.5878 0.079 Uiso 1 1 calc R . .
H10B H 0.0142 0.2560 0.5780 0.079 Uiso 1 1 calc R . .
C11 C 0.1432(4) 0.3176(3) 0.5630(2) 0.0437(11) Uani 1 1 d . . .
H11A H 0.1839 0.3083 0.6063 0.052 Uiso 1 1 calc R . .
H11B H 0.1598 0.3766 0.5497 0.052 Uiso 1 1 calc R . .
C12 C 0.1735(3) 0.2484(3) 0.52048(17) 0.0353(10) Uani 1 1 d . . .
H12A H 0.2467 0.2565 0.5201 0.042 Uiso 1 1 calc R . .
H12B H 0.1659 0.1893 0.5371 0.042 Uiso 1 1 calc R . .
C13 C 0.3484(3) 0.3675(2) 0.43814(16) 0.0225(7) Uani 1 1 d . . .
C14 C 0.2874(3) 0.3977(3) 0.38176(18) 0.0296(9) Uani 1 1 d . . .
H14 H 0.2832 0.3645 0.3449 0.036 Uiso 1 1 calc R . .
C15 C 0.2329(3) 0.4753(3) 0.3787(2) 0.0349(10) Uani 1 1 d . . .
H15 H 0.1927 0.4959 0.3398 0.042 Uiso 1 1 calc R . .
C16 C 0.2370(3) 0.5228(3) 0.4326(2) 0.0387(10) Uani 1 1 d . . .
H16 H 0.1994 0.5760 0.4306 0.046 Uiso 1 1 calc R . .
C17 C 0.2957(4) 0.4931(3) 0.4890(2) 0.0420(11) Uani 1 1 d . . .
H17 H 0.2975 0.5253 0.5260 0.050 Uiso 1 1 calc R . .
C18 C 0.3522(3) 0.4162(3) 0.49173(18) 0.0337(9) Uani 1 1 d . . .
H18 H 0.3937 0.3966 0.5305 0.040 Uiso 1 1 calc R . .
C19 C 0.4843(3) 0.2492(2) 0.52162(15) 0.0219(7) Uani 1 1 d . . .
C20 C 0.4580(3) 0.1826(2) 0.55794(15) 0.0236(8) Uani 1 1 d . . .
H20 H 0.4026 0.1441 0.5407 0.028 Uiso 1 1 calc R . .
C21 C 0.5133(3) 0.1727(3) 0.61963(17) 0.0277(8) Uani 1 1 d . . .
H21 H 0.4954 0.1270 0.6442 0.033 Uiso 1 1 calc R . .
C22 C 0.5935(3) 0.2281(3) 0.64551(16) 0.0297(9) Uani 1 1 d . . .
H22 H 0.6306 0.2208 0.6877 0.036 Uiso 1 1 calc R . .
C23 C 0.6198(3) 0.2945(3) 0.60973(17) 0.0326(9) Uani 1 1 d . . .
H23 H 0.6753 0.3328 0.6273 0.039 Uiso 1 1 calc R . .
C24 C 0.5655(3) 0.3055(2) 0.54830(17) 0.0286(8) Uani 1 1 d . . .
H24 H 0.5836 0.3516 0.5242 0.034 Uiso 1 1 calc R . .
C25 C 0.5254(3) 0.2858(2) 0.40537(16) 0.0236(8) Uani 1 1 d . . .
C26 C 0.5179(3) 0.3410(2) 0.35455(18) 0.0282(8) Uani 1 1 d . . .
H26 H 0.4570 0.3743 0.3392 0.034 Uiso 1 1 calc R . .
C27 C 0.5995(4) 0.3477(3) 0.3261(2) 0.0409(11) Uani 1 1 d . . .
H27 H 0.5938 0.3853 0.2912 0.049 Uiso 1 1 calc R . .
C28 C 0.6884(3) 0.3000(3) 0.3481(2) 0.0416(11) Uani 1 1 d . . .
H28 H 0.7437 0.3047 0.3284 0.050 Uiso 1 1 calc R . .
C29 C 0.6969(3) 0.2454(3) 0.3987(2) 0.0391(10) Uani 1 1 d . . .
H29 H 0.7583 0.2128 0.4142 0.047 Uiso 1 1 calc R . .
C30 C 0.6160(3) 0.2383(3) 0.42684(18) 0.0315(9) Uani 1 1 d . . .
H30 H 0.6222 0.2002 0.4615 0.038 Uiso 1 1 calc R . .
C31 C 0.2571(3) 0.2495(2) 0.24768(15) 0.0226(8) Uani 1 1 d . . .
C32 C 0.3211(3) 0.2935(2) 0.21692(17) 0.0264(8) Uani 1 1 d . . .
H32 H 0.3863 0.2696 0.2163 0.032 Uiso 1 1 calc R . .
C33 C 0.2894(4) 0.3727(3) 0.1871(2) 0.0374(10) Uani 1 1 d . . .
H33 H 0.3335 0.4026 0.1663 0.045 Uiso 1 1 calc R . .
C34 C 0.1949(3) 0.4081(3) 0.18726(18) 0.0349(10) Uani 1 1 d . . .
H34 H 0.1740 0.4622 0.1667 0.042 Uiso 1 1 calc R . .
C35 C 0.1312(3) 0.3651(3) 0.21725(18) 0.0366(10) Uani 1 1 d . . .
H35 H 0.0657 0.3891 0.2172 0.044 Uiso 1 1 calc R . .
C36 C 0.1624(3) 0.2867(3) 0.24758(17) 0.0324(9) Uani 1 1 d . . .
H36 H 0.1181 0.2577 0.2687 0.039 Uiso 1 1 calc R . .
C37 C 0.2057(3) 0.0642(2) 0.25725(15) 0.0241(8) Uani 1 1 d . . .
C38 C 0.1160(3) 0.0796(3) 0.21238(18) 0.0360(10) Uani 1 1 d . . .
H38 H 0.0984 0.1376 0.1980 0.043 Uiso 1 1 calc R . .
C39 C 0.0511(4) 0.0102(3) 0.1881(2) 0.0493(13) Uani 1 1 d . . .
H39 H -0.0110 0.0213 0.1574 0.059 Uiso 1 1 calc R . .
C40 C 0.0757(4) -0.0749(3) 0.20794(19) 0.0407(11) Uani 1 1 d . . .
H40 H 0.0313 -0.1219 0.1908 0.049 Uiso 1 1 calc R . .
C41 C 0.1647(3) -0.0905(3) 0.25262(18) 0.0363(10) Uani 1 1 d . . .
H41 H 0.1821 -0.1487 0.2667 0.044 Uiso 1 1 calc R . .
C42 C 0.2298(3) -0.0214(3) 0.27740(17) 0.0315(9) Uani 1 1 d . . .
H42 H 0.2913 -0.0328 0.3084 0.038 Uiso 1 1 calc R . .
C43 C 0.4091(3) 0.1135(2) 0.26192(15) 0.0219(7) Uani 1 1 d . . .
C44 C 0.3923(3) 0.0861(2) 0.20001(16) 0.0279(8) Uani 1 1 d . . .
H44 H 0.3245 0.0851 0.1738 0.034 Uiso 1 1 calc R . .
C45 C 0.4756(3) 0.0604(3) 0.17722(18) 0.0337(9) Uani 1 1 d . . .
H45 H 0.4645 0.0420 0.1351 0.040 Uiso 1 1 calc R . .
C46 C 0.5747(3) 0.0613(3) 0.21504(19) 0.0345(9) Uani 1 1 d . . .
H46 H 0.6309 0.0429 0.1990 0.041 Uiso 1 1 calc R . .
C47 C 0.5916(3) 0.0889(3) 0.2758(2) 0.0351(9) Uani 1 1 d . . .
H47 H 0.6595 0.0901 0.3018 0.042 Uiso 1 1 calc R . .
C48 C 0.5080(3) 0.1153(2) 0.29904(17) 0.0277(8) Uani 1 1 d . . .
H48 H 0.5197 0.1347 0.3410 0.033 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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
C6 Ir1 C1 102.94(15) . . ?
C6 Ir1 P3 96.76(11) . . ?
C1 Ir1 P3 120.35(10) . . ?
C6 Ir1 P2 91.19(11) . . ?
C1 Ir1 P2 131.93(10) . . ?
P3 Ir1 P2 102.77(4) . . ?
C6 Ir1 P1 150.20(11) . . ?
C1 Ir1 P1 47.29(11) . . ?
P3 Ir1 P1 98.77(4) . . ?
P2 Ir1 P1 109.82(4) . . ?
Cl1 Ag1 P1 172.41(4) . . ?
C1 P1 C7 115.52(16) . . ?
C1 P1 Ag1 118.35(12) . . ?
C7 P1 Ag1 109.86(13) . . ?
C1 P1 Ir1 52.71(12) . . ?
C7 P1 Ir1 119.35(13) . . ?
Ag1 P1 Ir1 128.15(4) . . ?
C2 C1 P1 135.1(3) . . ?
C2 C1 Ir1 143.5(3) . . ?
P1 C1 Ir1 80.00(14) . . ?
C13 P2 C19 103.83(16) . . ?
C13 P2 C25 105.57(16) . . ?
C19 P2 C25 100.12(17) . . ?
C13 P2 Ir1 115.20(12) . . ?
C19 P2 Ir1 112.70(12) . . ?
C25 P2 Ir1 117.54(12) . . ?
C1 C2 C5 111.4(3) . . ?
C1 C2 C4 110.0(3) . . ?
C5 C2 C4 110.1(4) . . ?
C1 C2 C3 108.3(3) . . ?
C5 C2 C3 107.8(3) . . ?
C4 C2 C3 109.2(4) . . ?
C43 P3 C31 102.82(16) . . ?
C43 P3 C37 99.37(16) . . ?
C31 P3 C37 105.54(17) . . ?
C43 P3 Ir1 120.23(12) . . ?
C31 P3 Ir1 120.98(11) . . ?
C37 P3 Ir1 104.99(11) . . ?
O1 C6 Ir1 178.1(3) . . ?
C12 C7 C8 111.7(3) . . ?
C12 C7 P1 116.0(3) . . ?
C8 C7 P1 109.9(3) . . ?
C7 C8 C9 111.7(4) . . ?
C10 C9 C8 109.2(5) . . ?
C11 C10 C9 111.2(4) . . ?
C10 C11 C12 111.6(4) . . ?
C7 C12 C11 111.4(3) . . ?
C18 C13 C14 118.7(3) . . ?
C18 C13 P2 122.5(3) . . ?
C14 C13 P2 118.8(3) . . ?
C15 C14 C13 120.9(4) . . ?
C14 C15 C16 119.7(4) . . ?
C17 C16 C15 120.2(4) . . ?
C16 C17 C18 120.0(4) . . ?
C17 C18 C13 120.5(4) . . ?
C20 C19 C24 119.0(3) . . ?
C20 C19 P2 121.3(3) . . ?
C24 C19 P2 119.7(3) . . ?
C19 C20 C21 119.8(3) . . ?
C22 C21 C20 121.0(4) . . ?
C21 C22 C23 119.6(3) . . ?
C22 C23 C24 120.3(4) . . ?
C23 C24 C19 120.5(4) . . ?
C26 C25 C30 118.4(3) . . ?
C26 C25 P2 122.8(3) . . ?
C30 C25 P2 118.4(3) . . ?
C25 C26 C27 120.2(4) . . ?
C28 C27 C26 120.4(4) . . ?
C27 C28 C29 119.9(4) . . ?
C28 C29 C30 119.8(4) . . ?
C29 C30 C25 121.3(4) . . ?
C36 C31 C32 118.3(3) . . ?
C36 C31 P3 120.4(3) . . ?
C32 C31 P3 121.1(3) . . ?
C31 C32 C33 119.9(4) . . ?
C34 C33 C32 120.8(4) . . ?
C35 C34 C33 119.7(4) . . ?
C34 C35 C36 119.9(4) . . ?
C35 C36 C31 121.3(4) . . ?
C38 C37 C42 118.9(4) . . ?
C38 C37 P3 124.8(3) . . ?
C42 C37 P3 116.3(3) . . ?
C37 C38 C39 120.0(4) . . ?
C40 C39 C38 120.8(4) . . ?
C41 C40 C39 119.4(4) . . ?
C40 C41 C42 120.1(4) . . ?
C37 C42 C41 120.7(4) . . ?
C48 C43 C44 119.4(3) . . ?
C48 C43 P3 120.7(3) . . ?
C44 C43 P3 119.9(3) . . ?
C45 C44 C43 119.4(4) . . ?
C46 C45 C44 120.9(4) . . ?
C47 C46 C45 119.9(4) . . ?
C46 C47 C48 119.6(4) . . ?
C43 C48 C47 120.8(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
Ir1 C6 1.884(4) . ?
Ir1 C1 1.916(3) . ?
Ir1 P3 2.3572(10) . ?
Ir1 P2 2.3574(10) . ?
Ir1 P1 2.3721(11) . ?
Ag1 Cl1 2.3242(13) . ?
Ag1 P1 2.3522(13) . ?
P1 C1 1.770(4) . ?
P1 C7 1.868(4) . ?
O1 C6 1.148(4) . ?
C1 C2 1.506(5) . ?
P2 C13 1.832(4) . ?
P2 C19 1.837(3) . ?
P2 C25 1.839(4) . ?
C2 C5 1.519(6) . ?
C2 C4 1.522(6) . ?
C2 C3 1.550(6) . ?
P3 C43 1.833(4) . ?
P3 C31 1.837(3) . ?
P3 C37 1.842(4) . ?
C7 C12 1.514(5) . ?
C7 C8 1.516(6) . ?
C8 C9 1.547(6) . ?
C9 C10 1.523(7) . ?
C10 C11 1.511(7) . ?
C11 C12 1.533(6) . ?
C13 C18 1.390(5) . ?
C13 C14 1.392(5) . ?
C14 C15 1.384(5) . ?
C15 C16 1.386(6) . ?
C16 C17 1.380(6) . ?
C17 C18 1.390(6) . ?
C19 C20 1.393(5) . ?
C19 C24 1.398(5) . ?
C20 C21 1.394(5) . ?
C21 C22 1.376(5) . ?
C22 C23 1.384(6) . ?
C23 C24 1.386(5) . ?
C25 C26 1.389(5) . ?
C25 C30 1.392(5) . ?
C26 C27 1.393(6) . ?
C27 C28 1.378(6) . ?
C28 C29 1.379(6) . ?
C29 C30 1.381(5) . ?
C31 C36 1.389(5) . ?
C31 C32 1.392(5) . ?
C32 C33 1.392(5) . ?
C33 C34 1.377(6) . ?
C34 C35 1.370(6) . ?
C35 C36 1.386(5) . ?
C37 C38 1.379(5) . ?
C37 C42 1.392(5) . ?
C38 C39 1.391(6) . ?
C39 C40 1.383(7) . ?
C40 C41 1.371(6) . ?
C41 C42 1.392(6) . ?
C43 C48 1.377(5) . ?
C43 C44 1.398(5) . ?
C44 C45 1.389(5) . ?
C45 C46 1.384(6) . ?
C46 C47 1.374(6) . ?
C47 C48 1.401(5) . ?
