#------------------------------------------------------------------------------
#$Date: 2019-11-28 13:59:28 +0200 (Thu, 28 Nov 2019) $
#$Revision: 243908 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/25/7702562.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_7702562
loop_
_publ_author_name
'Falvello, Larry R.'
'Forniés, Juan'
'Gómez, Julio'
'Lalinde, Elena'
'Martín, Antonio'
'Martínez, Francisco'
'Moreno, M. Teresa'
_publ_section_title
;
 Some platinum(II) complexes containing bis(diphenylphosphino)acetylene
 PPh2CCPPh2: synthesis, characterisation and crystal
 structures†
;
_journal_issue                   14
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2132
_journal_paper_doi               10.1039/b101558n
_journal_year                    2001
_chemical_formula_sum            'C110 H80 F20 P4 Pt2'
_chemical_formula_weight         2295.80
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 104.139(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.7657(11)
_cell_length_b                   20.3282(15)
_cell_length_c                   15.9687(14)
_cell_measurement_temperature    150(2)
_cell_volume                     4648.0(7)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_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  0.0586
_diffrn_reflns_av_sigmaI/netI    0.1590
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7807
_diffrn_reflns_theta_max         24.95
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    3.166
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.748
_refine_diff_density_rms         '0.165 .'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.038
_refine_ls_goodness_of_fit_obs   1.072
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         7468
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.040
_refine_ls_restrained_S_obs      1.072
_refine_ls_R_factor_all          0.1478
_refine_ls_R_factor_obs          0.0614
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0514P)²+7.3601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1587
_refine_ls_wR_factor_obs         0.1239
_reflns_number_observed          4505
_reflns_number_total             7471
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b101558n.txt
_cod_data_source_block           15
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+7.3601P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. A new data item '_refine_ls_weighting_details' was
created with the value set to
'w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+7.3601P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        4648.0(6)
_cod_database_code               7702562
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Pt Pt 0.66985(3) 0.55980(3) -0.28409(3) 0.02554(15) Uani 1 d .
P1 P 0.6383(2) 0.5564(2) -0.4299(2) 0.0284(7) Uani 1 d .
F1 F 0.6075(5) 0.6550(4) -0.1435(5) 0.045(2) Uani 1 d .
F2 F 0.6520(6) 0.6550(5) 0.0288(5) 0.063(3) Uani 1 d .
F3 F 0.7683(6) 0.5613(5) 0.1170(4) 0.060(2) Uani 1 d .
F4 F 0.8419(7) 0.4691(5) 0.0303(5) 0.067(3) Uani 1 d .
F5 F 0.8002(5) 0.4688(4) -0.1407(5) 0.048(2) Uani 1 d .
F6 F 0.4954(5) 0.6546(4) -0.3197(5) 0.047(2) Uani 1 d .
F7 F 0.3229(6) 0.6453(5) -0.2972(6) 0.059(3) Uani 1 d .
F8 F 0.2592(5) 0.5255(5) -0.2564(6) 0.064(3) Uani 1 d .
F9 F 0.3749(6) 0.4194(4) -0.2299(5) 0.054(2) Uani 1 d .
F10 F 0.5499(5) 0.4319(4) -0.2414(5) 0.047(2) Uani 1 d .
C1 C 0.7019(7) 0.5624(7) -0.1514(7) 0.022(3) Uani 1 d .
C2 C 0.6670(9) 0.6069(7) -0.1036(8) 0.032(3) Uani 1 d .
C3 C 0.6872(9) 0.6080(7) -0.0143(9) 0.038(3) Uani 1 d .
C4 C 0.7451(10) 0.5626(9) 0.0291(8) 0.047(4) Uani 1 d .
C5 C 0.7829(9) 0.5153(8) -0.0128(9) 0.043(4) Uani 1 d .
C6 C 0.7615(9) 0.5164(7) -0.1015(9) 0.036(3) Uani 1 d .
C7 C 0.5335(8) 0.5433(7) -0.2818(7) 0.028(3) Uani 1 d .
C8 C 0.4685(9) 0.5949(7) -0.2961(8) 0.036(3) Uani 1 d .
C9 C 0.3792(9) 0.5927(8) -0.2850(9) 0.040(4) Uani 1 d .
C10 C 0.3487(10) 0.5306(10) -0.2630(9) 0.050(5) Uani 1 d .
C11 C 0.4063(11) 0.4790(9) -0.2500(9) 0.044(4) Uani 1 d .
C12 C 0.4972(9) 0.4853(7) -0.2577(8) 0.033(3) Uani 1 d .
C13 C 0.7990(8) 0.5896(7) -0.2801(7) 0.027(3) Uani 1 d .
C14 C 0.8746(10) 0.6149(7) -0.2790(9) 0.037(4) Uani 1 d .
C15 C 0.9571(10) 0.6479(8) -0.2874(9) 0.042(4) Uani 1 d .
C16 C 0.9537(13) 0.7023(11) -0.3366(11) 0.089(7) Uani 1 d .
H16A H 0.8945(13) 0.7190(11) -0.3665(11) 0.107 Uiso 1 calc R
C17 C 1.0359(16) 0.7353(13) -0.3451(13) 0.113(10) Uani 1 d .
H17A H 1.0324(16) 0.7737(13) -0.3797(13) 0.136 Uiso 1 calc R
C18 C 1.1173(15) 0.7107(14) -0.3034(12) 0.086(8) Uani 1 d .
H18A H 1.1728(15) 0.7307(14) -0.3112(12) 0.103 Uiso 1 calc R
C19 C 1.1246(12) 0.6600(11) -0.2517(15) 0.078(7) Uani 1 d .
H19A H 1.1846(12) 0.6451(11) -0.2209(15) 0.094 Uiso 1 calc R
C20 C 1.0444(10) 0.6276(8) -0.2416(12) 0.057(5) Uani 1 d .
H20A H 1.0500(10) 0.5914(8) -0.2031(12) 0.069 Uiso 1 calc R
C21 C 0.5348(9) 0.5151(7) -0.4837(8) 0.037(4) Uani 1 d .
C22 C 0.6234(8) 0.6378(7) -0.4802(8) 0.032(3) Uani 1 d .
C23 C 0.6510(11) 0.6915(8) -0.4311(10) 0.050(4) Uani 1 d .
H23A H 0.6739(11) 0.6866(8) -0.3705(10) 0.060 Uiso 1 calc R
C24 C 0.6466(12) 0.7543(8) -0.4674(11) 0.061(5) Uani 1 d .
H24A H 0.6682(12) 0.7918(8) -0.4328(11) 0.073 Uiso 1 calc R
C25 C 0.6102(12) 0.7600(10) -0.5547(13) 0.066(5) Uani 1 d .
H25A H 0.6052(12) 0.8021(10) -0.5812(13) 0.079 Uiso 1 calc R
C26 C 0.5814(10) 0.7060(9) -0.6031(11) 0.053(5) Uani 1 d .
H26A H 0.5567(10) 0.7109(9) -0.6635(11) 0.063 Uiso 1 calc R
C27 C 0.5864(9) 0.6457(9) -0.5686(10) 0.050(4) Uani 1 d .
H27A H 0.5650(9) 0.6086(9) -0.6041(10) 0.060 Uiso 1 calc R
C28 C 0.7248(9) 0.5168(7) -0.4779(8) 0.032(3) Uani 1 d .
C29 C 0.8015(8) 0.5519(9) -0.4889(8) 0.046(4) Uani 1 d .
H29A H 0.8069(8) 0.5973(9) -0.4742(8) 0.055 Uiso 1 calc R
C30 C 0.8708(10) 0.5221(10) -0.5210(9) 0.057(5) Uani 1 d .
H30A H 0.9226(10) 0.5463(10) -0.5298(9) 0.068 Uiso 1 calc R
C31 C 0.8610(11) 0.4549(11) -0.5397(10) 0.067(6) Uani 1 d .
H31A H 0.9084(11) 0.4332(11) -0.5602(10) 0.081 Uiso 1 calc R
C32 C 0.7872(11) 0.4200(10) -0.5300(9) 0.060(5) Uani 1 d .
H32A H 0.7813(11) 0.3747(10) -0.5451(9) 0.072 Uiso 1 calc R
C33 C 0.7205(9) 0.4507(8) -0.4978(9) 0.045(4) Uani 1 d .
H33A H 0.6695(9) 0.4256(8) -0.4888(9) 0.054 Uiso 1 calc R
P2 P 0.5203(3) 0.8756(2) -0.2567(2) 0.0314(8) Uani 1 d .
C34 C 0.5157(10) 0.9626(6) -0.2381(9) 0.044(4) Uani 1 d .
H34A H 0.4506(10) 0.9774(6) -0.2539(9) 0.066 Uiso 1 calc R
H34B H 0.5512(10) 0.9858(6) -0.2734(9) 0.066 Uiso 1 calc R
H34C H 0.5428(10) 0.9720(6) -0.1770(9) 0.066 Uiso 1 calc R
C35 C 0.4522(9) 0.8359(7) -0.1947(8) 0.033(3) Uani 1 d .
C36 C 0.4902(11) 0.7932(8) -0.1284(10) 0.062(5) Uani 1 d .
H36A H 0.5552(11) 0.7840(8) -0.1153(10) 0.075 Uiso 1 calc R
C37 C 0.4359(11) 0.7638(11) -0.0810(12) 0.093(8) Uani 1 d .
H37A H 0.4618(11) 0.7313(11) -0.0393(12) 0.112 Uiso 1 calc R
C38 C 0.3429(11) 0.7817(9) -0.0943(10) 0.063(5) Uani 1 d .
H38A H 0.3058(11) 0.7647(9) -0.0583(10) 0.076 Uiso 1 calc R
C39 C 0.3062(10) 0.8232(8) -0.1585(10) 0.053(4) Uani 1 d .
H39A H 0.2418(10) 0.8340(8) -0.1691(10) 0.064 Uiso 1 calc R
C40 C 0.3573(10) 0.8500(8) -0.2082(10) 0.051(4) Uani 1 d .
H40A H 0.3285(10) 0.8792(8) -0.2535(10) 0.061 Uiso 1 calc R
C41 C 0.4712(9) 0.8585(7) -0.3688(8) 0.033(3) Uani 1 d .
C42 C 0.4934(9) 0.9011(8) -0.4299(9) 0.043(4) Uani 1 d .
H42A H 0.5320(9) 0.9383(8) -0.4114(9) 0.051 Uiso 1 calc R
C43 C 0.4589(10) 0.8890(9) -0.5174(9) 0.051(4) Uani 1 d .
H43A H 0.4734(10) 0.9177(9) -0.5592(9) 0.062 Uiso 1 calc R
C44 C 0.4040(9) 0.8351(8) -0.5426(9) 0.045(4) Uani 1 d .
H44A H 0.3780(9) 0.8277(8) -0.6023(9) 0.054 Uiso 1 calc R
C45 C 0.3854(10) 0.7915(8) -0.4836(9) 0.048(4) Uani 1 d .
H45A H 0.3507(10) 0.7527(8) -0.5025(9) 0.058 Uiso 1 calc R
C46 C 0.4174(10) 0.8043(8) -0.3968(9) 0.046(4) Uani 1 d .
H46A H 0.4020(10) 0.7752(8) -0.3559(9) 0.055 Uiso 1 calc R
C47 C 0.6362(8) 0.8456(6) -0.2295(8) 0.026(3) Uani 1 d .
C48 C 0.6559(10) 0.7815(7) -0.2384(8) 0.037(4) Uani 1 d .
H48A H 0.6053(10) 0.7524(7) -0.2597(8) 0.045 Uiso 1 calc R
C49 C 0.7435(10) 0.7561(8) -0.2189(9) 0.049(4) Uani 1 d .
H49A H 0.7553(10) 0.7104(8) -0.2232(9) 0.058 Uiso 1 calc R
C50 C 0.8135(10) 0.8010(10) -0.1926(9) 0.053(5) Uani 1 d .
H50A H 0.8758(10) 0.7850(10) -0.1813(9) 0.064 Uiso 1 calc R
C51 C 0.8019(11) 0.8663(9) -0.1813(10) 0.054(5) Uani 1 d .
H51A H 0.8535(11) 0.8951(9) -0.1620(10) 0.064 Uiso 1 calc R
C52 C 0.7082(9) 0.8893(7) -0.2000(8) 0.039(4) Uani 1 d .
H52A H 0.6954(9) 0.9344(7) -0.1923(8) 0.046 Uiso 1 calc R
C53 C 0.8671(14) 0.8825(8) -0.4785(15) 0.180(11) Uani 1 d D
H53A H 0.8235(14) 0.8526(8) -0.5165(15) 0.270 Uiso 1 calc R
H53B H 0.8333(14) 0.9087(8) -0.4444(15) 0.270 Uiso 1 calc R
H53C H 0.9160(14) 0.8568(8) -0.4396(15) 0.270 Uiso 1 calc R
C54 C 0.9119(13) 0.9286(8) -0.5334(10) 0.180(11) Uani 1 d D
H54A H 0.9457(13) 0.9025(8) -0.5684(10) 0.216 Uiso 1 calc R
H54C H 0.8628(13) 0.9545(8) -0.5732(10) 0.216 Uiso 1 calc R
C55 C 0.9801(14) 0.9752(8) -0.4728(6) 0.180(11) Uani 1 d D
H55A H 0.9471(14) 0.9988(8) -0.4349(6) 0.216 Uiso 1 calc R
H55C H 1.0316(14) 0.9494(8) -0.4359(6) 0.216 Uiso 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'
F F 0.0171 0.0103 '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'
Pt Pt -1.7033 8.3905 '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
C13 Pt C7 171.2(5) .
C13 Pt C1 88.9(4) .
C7 Pt C1 88.0(4) .
C13 Pt P1 89.8(3) .
C7 Pt P1 93.3(3) .
C1 Pt P1 178.6(3) .
C21 P1 C22 102.7(6) .
C21 P1 C28 101.3(6) .
C22 P1 C28 103.7(6) .
C21 P1 Pt 116.7(4) .
C22 P1 Pt 113.4(5) .
C28 P1 Pt 117.1(4) .
C2 C1 C6 113.4(11) .
C2 C1 Pt 124.8(9) .
C6 C1 Pt 121.8(9) .
F1 C2 C1 120.2(11) .
F1 C2 C3 114.9(12) .
C1 C2 C3 124.9(13) .
C4 C3 F2 120.2(13) .
C4 C3 C2 118.3(13) .
F2 C3 C2 121.5(14) .
C3 C4 F3 121.2(15) .
C3 C4 C5 121.3(12) .
F3 C4 C5 117.5(15) .
F4 C5 C4 121.9(13) .
F4 C5 C6 119.7(14) .
C4 C5 C6 118.4(13) .
F5 C6 C5 116.7(13) .
F5 C6 C1 119.6(11) .
C5 C6 C1 123.7(13) .
C12 C7 C8 112.6(11) .
C12 C7 Pt 126.2(10) .
C8 C7 Pt 120.8(9) .
F6 C8 C9 114.8(13) .
F6 C8 C7 118.5(11) .
C9 C8 C7 126.6(13) .
F7 C9 C8 122.4(14) .
F7 C9 C10 121.7(12) .
C8 C9 C10 115.8(14) .
C11 C10 F8 121.5(15) .
C11 C10 C9 120.8(13) .
F8 C10 C9 117.7(15) .
C10 C11 F9 119.7(13) .
C10 C11 C12 120.5(15) .
F9 C11 C12 119.8(15) .
F10 C12 C11 116.3(13) .
F10 C12 C7 120.2(11) .
C11 C12 C7 123.5(14) .
C14 C13 Pt 172.8(13) .
C13 C14 C15 173.1(15) .
C16 C15 C20 116.8(16) .
C16 C15 C14 121.9(16) .
C20 C15 C14 121.2(15) .
C15 C16 C17 122.0(19) .
C18 C17 C16 117.7(21) .
C19 C18 C17 122.8(22) .
C18 C19 C20 120.1(21) .
C15 C20 C19 120.4(19) .
C21 C21 P1 176.5(17) 3_664
C23 C22 C27 118.9(14) .
C23 C22 P1 119.4(10) .
C27 C22 P1 121.7(12) .
C22 C23 C24 121.5(15) .
C25 C24 C23 117.8(17) .
C26 C25 C24 120.2(17) .
C27 C26 C25 122.1(16) .
C26 C27 C22 119.4(16) .
C33 C28 C29 117.8(13) .
C33 C28 P1 121.9(11) .
C29 C28 P1 120.2(11) .
C28 C29 C30 121.3(17) .
C29 C30 C31 117.3(16) .
C32 C31 C30 122.5(17) .
C31 C32 C33 118.8(18) .
C32 C33 C28 122.3(16) .
C47 P2 C35 110.7(6) .
C47 P2 C41 108.0(6) .
C35 P2 C41 108.9(6) .
C47 P2 C34 111.9(7) .
C35 P2 C34 107.9(7) .
C41 P2 C34 109.4(7) .
C36 C35 C40 117.0(14) .
C36 C35 P2 122.5(11) .
C40 C35 P2 120.4(11) .
C37 C36 C35 121.1(15) .
C36 C37 C38 119.6(16) .
C39 C38 C37 118.9(15) .
C38 C39 C40 122.1(15) .
C39 C40 C35 121.0(14) .
C46 C41 C42 119.1(12) .
C46 C41 P2 122.9(10) .
C42 C41 P2 117.9(11) .
C43 C42 C41 120.0(14) .
C44 C43 C42 119.0(15) .
C43 C44 C45 121.5(14) .
C44 C45 C46 119.6(15) .
C41 C46 C45 120.7(14) .
C48 C47 C52 119.3(13) .
C48 C47 P2 121.9(10) .
C52 C47 P2 118.8(10) .
C47 C48 C49 124.2(14) .
C48 C49 C50 115.1(15) .
C51 C50 C49 125.7(15) .
C50 C51 C52 116.3(15) .
C47 C52 C51 119.4(14) .
C55 C54 C53 108.8(7) .
C55 C55 C54 109.3(7) 3_774
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt C13 1.987(12) .
Pt C7 2.050(12) .
Pt C1 2.055(10) .
Pt P1 2.262(3) .
P1 C21 1.772(12) .
P1 C22 1.827(14) .
P1 C28 1.829(12) .
F1 C2 1.363(15) .
F2 C3 1.35(2) .
F3 C4 1.361(13) .
F4 C5 1.35(2) .
F5 C6 1.351(15) .
F6 C8 1.359(15) .
F7 C9 1.34(2) .
F8 C10 1.356(15) .
F9 C11 1.36(2) .
F10 C12 1.323(15) .
C1 C2 1.36(2) .
C1 C6 1.39(2) .
C2 C3 1.39(2) .
C3 C4 1.33(2) .
C4 C5 1.37(2) .
C5 C6 1.37(2) .
C7 C12 1.39(2) .
C7 C8 1.40(2) .
C8 C9 1.37(2) .
C9 C10 1.41(2) .
C10 C11 1.33(2) .
C11 C12 1.38(2) .
C13 C14 1.23(2) .
C14 C15 1.43(2) .
C15 C16 1.35(2) .
C15 C20 1.38(2) .
C16 C17 1.42(2) .
C17 C18 1.32(3) .
C18 C19 1.31(3) .
C19 C20 1.40(2) .
C21 C21 1.20(2) 3_664
C22 C23 1.35(2) .
C22 C27 1.39(2) .
C23 C24 1.40(2) .
C24 C25 1.37(2) .
C25 C26 1.35(2) .
C26 C27 1.34(2) .
C28 C33 1.38(2) .
C28 C29 1.38(2) .
C29 C30 1.39(2) .
C30 C31 1.40(2) .
C31 C32 1.34(2) .
C32 C33 1.37(2) .
P2 C47 1.768(12) .
P2 C35 1.768(13) .
P2 C41 1.794(13) .
P2 C34 1.796(13) .
C35 C36 1.38(2) .
C35 C40 1.39(2) .
C36 C37 1.37(2) .
C37 C38 1.39(2) .
C38 C39 1.34(2) .
C39 C40 1.34(2) .
C41 C46 1.37(2) .
C41 C42 1.40(2) .
C42 C43 1.39(2) .
C43 C44 1.36(2) .
C44 C45 1.37(2) .
C45 C46 1.38(2) .
C47 C48 1.35(2) .
C47 C52 1.38(2) .
C48 C49 1.36(2) .
C49 C50 1.37(2) .
C50 C51 1.36(2) .
C51 C52 1.42(2) .
C53 C54 1.539(5) .
C54 C55 1.539(5) .
C55 C55 1.538(5) 3_774
