#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:56:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179400 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/97/4329720.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_4329720
loop_
_publ_author_name
'Tibor-Gabor Kocsor'
'Dimitri Matioszek'
'Gabriela Nemeş'
'Annie Castel'
'Jean Escudié'
'Petronela M. Petrar'
'Nathalie Saffon'
'Ionel Haiduc'
_publ_section_title
;
 Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7782
_journal_page_last               7787
_journal_paper_doi               10.1021/ic300810q
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C49 H78 Cl2 N2 P2 Sn'
_chemical_formula_weight         946.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                66.4910(10)
_cell_angle_beta                 69.4920(10)
_cell_angle_gamma                73.1300(10)
_cell_formula_units_Z            2
_cell_length_a                   12.8737(2)
_cell_length_b                   15.0045(3)
_cell_length_c                   16.0067(3)
_cell_measurement_reflns_used    8380
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.78
_cell_measurement_theta_min      4.08
_cell_volume                     2614.52(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35801
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         5.10
_exptl_absorpt_coefficient_mu    0.684
_exptl_absorpt_correction_T_max  0.9348
_exptl_absorpt_correction_T_min  0.8754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXs)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         12828
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0472P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                10135
_reflns_number_total             12828
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300810q_si_001_1.cif
_cod_data_source_block           1
_cod_original_cell_volume        2614.52(8)
_cod_database_code               4329720
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Sn1 Sn 0.325632(13) 0.027082(11) 0.191912(10) 0.02718(5) Uani 1 1 d .
P1 P 0.34275(5) 0.08934(4) 0.37374(4) 0.02794(12) Uani 1 1 d .
P2 P 0.23939(6) 0.27365(4) 0.07983(4) 0.03066(13) Uani 1 1 d .
Cl1 Cl 0.11744(5) 0.12748(5) 0.33480(4) 0.04084(15) Uani 1 1 d .
Cl2 Cl 0.37996(6) 0.14209(5) -0.03773(4) 0.04163(15) Uani 1 1 d .
N1 N 0.60096(17) 0.03223(15) 0.15030(13) 0.0330(4) Uani 1 1 d .
N2 N 0.55179(18) -0.10509(15) 0.25194(13) 0.0358(5) Uani 1 1 d .
C3 C 0.5109(2) -0.01341(17) 0.19898(15) 0.0311(5) Uani 1 1 d .
C1 C 0.26528(18) 0.09211(17) 0.30749(14) 0.0280(5) Uani 1 1 d .
C2 C 0.32314(19) 0.16800(17) 0.06942(14) 0.0282(5) Uani 1 1 d .
C4 C 0.6992(2) -0.0301(2) 0.1722(2) 0.0424(6) Uani 1 1 d .
C5 C 0.6678(2) -0.1160(2) 0.23568(18) 0.0417(6) Uani 1 1 d .
C6 C 0.8147(3) -0.0049(3) 0.1301(3) 0.0614(9) Uani 1 1 d .
H6A H 0.8637 -0.0504 0.1703 0.092 Uiso 1 1 calc R
H6B H 0.8111 0.0629 0.1257 0.092 Uiso 1 1 calc R
H6C H 0.8452 -0.0107 0.0668 0.092 Uiso 1 1 calc R
C7 C 0.7428(3) -0.2080(3) 0.2802(3) 0.0652(9) Uani 1 1 d .
H7A H 0.8214 -0.2050 0.2434 0.098 Uiso 1 1 calc R
H7B H 0.7213 -0.2660 0.2809 0.098 Uiso 1 1 calc R
H7C H 0.7344 -0.2130 0.3451 0.098 Uiso 1 1 calc R
C8 C 0.5926(2) 0.13561(18) 0.08618(17) 0.0350(5) Uani 1 1 d .
H8 H 0.5138 0.1570 0.0798 0.042 Uiso 1 1 calc R
C9 C 0.6077(3) 0.2028(2) 0.1298(2) 0.0483(7) Uani 1 1 d .
H9A H 0.6851 0.1865 0.1349 0.073 Uiso 1 1 calc R
H9B H 0.5551 0.1934 0.1929 0.073 Uiso 1 1 calc R
H9C H 0.5924 0.2717 0.0898 0.073 Uiso 1 1 calc R
C10 C 0.6697(3) 0.1450(2) -0.01272(19) 0.0509(7) Uani 1 1 d .
H10A H 0.7480 0.1354 -0.0119 0.076 Uiso 1 1 calc R
H10B H 0.6492 0.2107 -0.0564 0.076 Uiso 1 1 calc R
H10C H 0.6617 0.0947 -0.0336 0.076 Uiso 1 1 calc R
C11 C 0.4796(2) -0.1795(2) 0.31611(16) 0.0430(6) Uani 1 1 d .
H11 H 0.4000 -0.1441 0.3211 0.052 Uiso 1 1 calc R
C12 C 0.4938(3) -0.2588(2) 0.2749(2) 0.0524(7) Uani 1 1 d .
H12A H 0.5728 -0.2915 0.2628 0.079 Uiso 1 1 calc R
H12B H 0.4718 -0.2286 0.2155 0.079 Uiso 1 1 calc R
H12C H 0.4461 -0.3075 0.3198 0.079 Uiso 1 1 calc R
C13 C 0.4937(3) -0.2216(3) 0.41590(19) 0.0694(11) Uani 1 1 d .
H13A H 0.5611 -0.2729 0.4185 0.104 Uiso 1 1 calc R
H13B H 0.4274 -0.2503 0.4601 0.104 Uiso 1 1 calc R
H13C H 0.5015 -0.1688 0.4334 0.104 Uiso 1 1 calc R
C14 C 0.23881(18) 0.13014(16) 0.47213(13) 0.0256(4) Uani 1 1 d .
C15 C 0.20328(19) 0.23225(16) 0.46122(14) 0.0270(4) Uani 1 1 d .
C16 C 0.10428(19) 0.26104(17) 0.52417(14) 0.0292(5) Uani 1 1 d .
H16 H 0.0796 0.3294 0.5160 0.035 Uiso 1 1 calc R
C17 C 0.04048(19) 0.19470(17) 0.59780(15) 0.0288(5) Uani 1 1 d .
C18 C 0.0839(2) 0.09527(17) 0.61296(14) 0.0305(5) Uani 1 1 d .
H18 H 0.0441 0.0485 0.6659 0.037 Uiso 1 1 calc R
C19 C 0.18276(19) 0.06029(16) 0.55465(14) 0.0266(4) Uani 1 1 d .
C20 C 0.2698(2) 0.31448(17) 0.38459(15) 0.0328(5) Uani 1 1 d .
C21 C 0.3968(2) 0.2820(2) 0.37383(19) 0.0444(6) Uani 1 1 d .
H21A H 0.4353 0.3377 0.3307 0.067 Uiso 1 1 calc R
H21B H 0.4249 0.2275 0.3482 0.067 Uiso 1 1 calc R
H21C H 0.4114 0.2601 0.4357 0.067 Uiso 1 1 calc R
C22 C 0.2453(3) 0.3434(2) 0.28864(18) 0.0497(7) Uani 1 1 d .
H22A H 0.2734 0.2868 0.2658 0.074 Uiso 1 1 calc R
H22B H 0.2829 0.3987 0.2428 0.074 Uiso 1 1 calc R
H22C H 0.1638 0.3629 0.2963 0.074 Uiso 1 1 calc R
C23 C 0.2367(3) 0.4080(2) 0.4117(2) 0.0542(8) Uani 1 1 d .
H23A H 0.1575 0.4363 0.4130 0.081 Uiso 1 1 calc R
H23B H 0.2842 0.4562 0.3650 0.081 Uiso 1 1 calc R
H23C H 0.2471 0.3914 0.4743 0.081 Uiso 1 1 calc R
C24 C -0.0752(2) 0.22691(18) 0.65937(16) 0.0343(5) Uani 1 1 d .
C25 C -0.1645(3) 0.2061(3) 0.6294(2) 0.0612(9) Uani 1 1 d .
H25A H -0.1600 0.2451 0.5628 0.092 Uiso 1 1 calc R
H25B H -0.2396 0.2241 0.6686 0.092 Uiso 1 1 calc R
H25C H -0.1507 0.1357 0.6377 0.092 Uiso 1 1 calc R
C26 C -0.0990(3) 0.3365(3) 0.6448(3) 0.0858(13) Uani 1 1 d .
H26A H -0.0476 0.3509 0.6688 0.129 Uiso 1 1 calc R
H26B H -0.1770 0.3553 0.6790 0.129 Uiso 1 1 calc R
H26C H -0.0879 0.3740 0.5772 0.129 Uiso 1 1 calc R
C27 C -0.0876(3) 0.1667(3) 0.76388(18) 0.0650(10) Uani 1 1 d .
H27A H -0.0282 0.1747 0.7841 0.097 Uiso 1 1 calc R
H27B H -0.0810 0.0968 0.7733 0.097 Uiso 1 1 calc R
H27C H -0.1614 0.1899 0.8014 0.097 Uiso 1 1 calc R
C28 C 0.2275(2) -0.05283(17) 0.58511(15) 0.0322(5) Uani 1 1 d .
C29 C 0.2070(2) -0.10161(19) 0.52555(17) 0.0401(6) Uani 1 1 d .
H29A H 0.2297 -0.1733 0.5508 0.060 Uiso 1 1 calc R
H29B H 0.2514 -0.0769 0.4599 0.060 Uiso 1 1 calc R
H29C H 0.1268 -0.0857 0.5280 0.060 Uiso 1 1 calc R
C30 C 0.3531(2) -0.0723(2) 0.58092(19) 0.0437(6) Uani 1 1 d .
H30A H 0.3629 -0.0418 0.6209 0.066 Uiso 1 1 calc R
H30B H 0.3964 -0.0440 0.5155 0.066 Uiso 1 1 calc R
H30C H 0.3801 -0.1437 0.6036 0.066 Uiso 1 1 calc R
C31 C 0.1673(3) -0.10595(19) 0.68874(16) 0.0437(6) Uani 1 1 d .
H31A H 0.0878 -0.1013 0.6943 0.066 Uiso 1 1 calc R
H31B H 0.1730 -0.0747 0.7299 0.066 Uiso 1 1 calc R
H31C H 0.2030 -0.1756 0.7077 0.066 Uiso 1 1 calc R
C32 C 0.2148(2) 0.35274(16) -0.03800(14) 0.0294(5) Uani 1 1 d .
C33 C 0.1245(2) 0.34306(18) -0.06420(15) 0.0324(5) Uani 1 1 d .
C34 C 0.1147(2) 0.39751(18) -0.15638(16) 0.0352(5) Uani 1 1 d .
H34 H 0.0569 0.3886 -0.1749 0.042 Uiso 1 1 calc R
C35 C 0.1840(2) 0.46287(17) -0.22107(15) 0.0336(5) Uani 1 1 d .
C36 C 0.2656(2) 0.47705(18) -0.19197(15) 0.0360(5) Uani 1 1 d .
H36 H 0.3121 0.5242 -0.2351 0.043 Uiso 1 1 calc R
C37 C 0.2826(2) 0.42516(17) -0.10197(15) 0.0330(5) Uani 1 1 d .
C38 C 0.0306(2) 0.2821(2) 0.00496(18) 0.0445(6) Uani 1 1 d .
C41 C -0.0266(3) 0.3171(3) 0.0907(2) 0.0655(9) Uani 1 1 d .
H41A H -0.0531 0.3886 0.0691 0.098 Uiso 1 1 calc R
H41B H 0.0274 0.3016 0.1271 0.098 Uiso 1 1 calc R
H41C H -0.0908 0.2835 0.1306 0.098 Uiso 1 1 calc R
C39 C 0.0745(3) 0.1703(2) 0.0372(3) 0.0623(9) Uani 1 1 d .
H39A H 0.0107 0.1351 0.0723 0.093 Uiso 1 1 calc R
H39B H 0.1235 0.1545 0.0781 0.093 Uiso 1 1 calc R
H39C H 0.1173 0.1500 -0.0183 0.093 Uiso 1 1 calc R
C40 C -0.0624(3) 0.2959(3) -0.0424(2) 0.0731(11) Uani 1 1 d .
H40A H -0.0297 0.2703 -0.0954 0.110 Uiso 1 1 calc R
H40B H -0.0938 0.3663 -0.0656 0.110 Uiso 1 1 calc R
H40C H -0.1223 0.2599 0.0041 0.110 Uiso 1 1 calc R
C42 C 0.1680(3) 0.5260(2) -0.32073(16) 0.0434(6) Uani 1 1 d .
C43 C 0.0906(3) 0.4851(2) -0.3466(2) 0.0577(8) Uani 1 1 d .
H43A H 0.0842 0.5250 -0.4108 0.087 Uiso 1 1 calc R
H43B H 0.0158 0.4878 -0.3018 0.087 Uiso 1 1 calc R
H43C H 0.1228 0.4165 -0.3437 0.087 Uiso 1 1 calc R
C45 C 0.2792(3) 0.5255(3) -0.3951(2) 0.0762(11) Uani 1 1 d .
H45A H 0.3175 0.4572 -0.3882 0.114 Uiso 1 1 calc R
H45B H 0.3263 0.5611 -0.3874 0.114 Uiso 1 1 calc R
H45C H 0.2660 0.5579 -0.4580 0.114 Uiso 1 1 calc R
C44 C 0.1113(4) 0.6302(2) -0.3204(2) 0.0707(11) Uani 1 1 d .
H44A H 0.1615 0.6603 -0.3096 0.106 Uiso 1 1 calc R
H44B H 0.0408 0.6276 -0.2699 0.106 Uiso 1 1 calc R
H44C H 0.0951 0.6698 -0.3815 0.106 Uiso 1 1 calc R
C46 C 0.3745(2) 0.45230(19) -0.07898(17) 0.0394(6) Uani 1 1 d .
C47 C 0.4179(4) 0.5454(2) -0.1547(2) 0.0693(11) Uani 1 1 d .
H47A H 0.3550 0.6011 -0.1602 0.104 Uiso 1 1 calc R
H47B H 0.4519 0.5341 -0.2156 0.104 Uiso 1 1 calc R
H47C H 0.4745 0.5604 -0.1366 0.104 Uiso 1 1 calc R
C49 C 0.4770(3) 0.3697(2) -0.0751(2) 0.0572(8) Uani 1 1 d .
H49A H 0.5356 0.3896 -0.0637 0.086 Uiso 1 1 calc R
H49B H 0.5060 0.3569 -0.1353 0.086 Uiso 1 1 calc R
H49C H 0.4552 0.3097 -0.0237 0.086 Uiso 1 1 calc R
C48 C 0.3284(3) 0.4753(3) 0.0137(2) 0.0649(9) Uani 1 1 d .
H48A H 0.2618 0.5275 0.0104 0.097 Uiso 1 1 calc R
H48B H 0.3863 0.4974 0.0238 0.097 Uiso 1 1 calc R
H48C H 0.3076 0.4157 0.0664 0.097 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'
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'
Sn Sn -0.6537 1.4246 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
C1 Sn1 C2 98.24(8)
C1 Sn1 C3 93.48(8)
C2 Sn1 C3 103.19(8)
C1 P1 C14 104.68(10)
C2 P2 C32 108.14(10)
C3 N1 C4 110.9(2)
C3 N1 C8 123.04(19)
C4 N1 C8 126.1(2)
C3 N2 C5 110.1(2)
C3 N2 C11 122.8(2)
C5 N2 C11 127.0(2)
N1 C3 N2 105.5(2)
N1 C3 Sn1 133.33(16)
N2 C3 Sn1 120.62(17)
P1 C1 Cl1 123.21(13)
P1 C1 Sn1 125.70(12)
Cl1 C1 Sn1 110.17(11)
P2 C2 Cl2 124.04(12)
P2 C2 Sn1 122.70(11)
Cl2 C2 Sn1 109.89(11)
C5 C4 N1 106.3(2)
C5 C4 C6 128.2(3)
N1 C4 C6 125.5(3)
C4 C5 N2 107.3(2)
C4 C5 C7 127.2(3)
N2 C5 C7 125.5(3)
N1 C8 C9 111.0(2)
N1 C8 C10 112.0(2)
C9 C8 C10 113.9(2)
N2 C11 C12 111.7(2)
N2 C11 C13 112.6(3)
C12 C11 C13 112.9(2)
C15 C14 C19 118.77(19)
C15 C14 P1 120.62(15)
C19 C14 P1 120.10(17)
C16 C15 C14 118.44(19)
C16 C15 C20 117.6(2)
C14 C15 C20 123.95(19)
C17 C16 C15 123.1(2)
C16 C17 C18 117.0(2)
C16 C17 C24 123.0(2)
C18 C17 C24 120.0(2)
C17 C18 C19 123.4(2)
C18 C19 C14 118.3(2)
C18 C19 C28 117.90(19)
C14 C19 C28 123.79(19)
C21 C20 C23 105.7(2)
C21 C20 C22 109.9(2)
C23 C20 C22 107.4(2)
C21 C20 C15 111.48(19)
C23 C20 C15 111.4(2)
C22 C20 C15 110.7(2)
C26 C24 C27 110.4(3)
C26 C24 C17 112.3(2)
C27 C24 C17 111.4(2)
C26 C24 C25 107.7(3)
C27 C24 C25 107.5(2)
C17 C24 C25 107.2(2)
C29 C28 C30 111.7(2)
C29 C28 C31 105.7(2)
C30 C28 C31 105.95(19)
C29 C28 C19 112.08(18)
C30 C28 C19 109.6(2)
C31 C28 C19 111.67(19)
C37 C32 C33 118.83(18)
C37 C32 P2 121.30(16)
C33 C32 P2 119.84(16)
C34 C33 C32 118.2(2)
C34 C33 C38 117.4(2)
C32 C33 C38 124.25(19)
C35 C34 C33 123.5(2)
C34 C35 C36 117.49(19)
C34 C35 C42 122.6(2)
C36 C35 C42 119.7(2)
C35 C36 C37 123.0(2)
C36 C37 C32 118.6(2)
C36 C37 C46 116.7(2)
C32 C37 C46 124.65(18)
C41 C38 C39 110.3(2)
C41 C38 C40 107.1(3)
C39 C38 C40 104.9(3)
C41 C38 C33 109.7(2)
C39 C38 C33 113.0(2)
C40 C38 C33 111.6(2)
C45 C42 C44 111.7(3)
C45 C42 C43 107.0(3)
C44 C42 C43 107.6(3)
C45 C42 C35 110.9(2)
C44 C42 C35 108.4(2)
C43 C42 C35 111.3(2)
C49 C46 C48 110.7(2)
C49 C46 C47 106.1(3)
C48 C46 C47 105.6(3)
C49 C46 C37 110.6(2)
C48 C46 C37 111.3(2)
C47 C46 C37 112.4(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sn1 C1 2.230(2)
Sn1 C2 2.239(2)
Sn1 C3 2.316(2)
P1 C1 1.674(2)
P1 C14 1.861(2)
P2 C2 1.672(2)
P2 C32 1.866(2)
Cl1 C1 1.764(2)
Cl2 C2 1.765(2)
N1 C3 1.350(3)
N1 C4 1.399(3)
N1 C8 1.477(3)
N2 C3 1.360(3)
N2 C5 1.395(3)
N2 C11 1.478(3)
C4 C5 1.351(4)
C4 C6 1.494(4)
C5 C7 1.507(4)
C8 C9 1.521(4)
C8 C10 1.521(3)
C11 C12 1.515(4)
C11 C13 1.521(4)
C14 C15 1.422(3)
C14 C19 1.425(3)
C15 C16 1.398(3)
C15 C20 1.559(3)
C16 C17 1.384(3)
C17 C18 1.385(3)
C17 C24 1.535(3)
C18 C19 1.392(3)
C19 C28 1.555(3)
C20 C21 1.532(4)
C20 C23 1.533(4)
C20 C22 1.542(3)
C24 C26 1.517(4)
C24 C27 1.527(3)
C24 C25 1.537(4)
C28 C29 1.536(3)
C28 C30 1.540(4)
C28 C31 1.546(3)
C32 C37 1.424(3)
C32 C33 1.427(3)
C33 C34 1.404(3)
C33 C38 1.556(3)
C34 C35 1.371(3)
C35 C36 1.384(3)
C35 C42 1.548(3)
C36 C37 1.399(3)
C37 C46 1.551(3)
C38 C41 1.530(4)
C38 C39 1.537(4)
C38 C40 1.554(4)
C42 C45 1.507(5)
C42 C44 1.523(4)
C42 C43 1.546(4)
C46 C49 1.525(4)
C46 C48 1.532(4)
C46 C47 1.536(4)
