#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:17:17 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180006 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/00/7030085.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_7030085
loop_
_publ_author_name
'Fernández-Anca, Damián'
'García-Seijo, M Inés'
'García-Fernández, M Esther'
_publ_section_title
;
 Tuneable reactivity with PPh3 and SnX2 of four- and five-coordinate
 Pd(II) and Pt(II) complexes containing polyphosphines.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10221
_journal_page_last               10232
_journal_paper_doi               10.1039/c3dt32611j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C42 H42 Br P4 Pt, Br'
_chemical_formula_sum            'C42 H42 Br2 P4 Pt'
_chemical_formula_weight         1025.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                102.51(2)
_cell_angle_beta                 96.79(3)
_cell_angle_gamma                104.38(2)
_cell_formula_units_Z            2
_cell_length_a                   10.268(4)
_cell_length_b                   10.538(4)
_cell_length_c                   20.356(8)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      24.97
_cell_measurement_theta_min      2.53
_cell_volume                     2048.2(14)
_computing_cell_refinement       'Siemens XSCANS Software'
_computing_data_collection       'Siemens XSCANS Software'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  Stoe
_diffrn_measurement_method       '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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10087
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    5.561
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.786
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7198
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0383P)²+0.9195P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0771
_reflns_number_gt                5798
_reflns_number_total             7181
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32611j.cif
_cod_data_source_block           13egac03
_cod_database_code               7030085
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
Pt1 Pt 0.34315(2) 0.58396(2) 0.239262(11) 0.02108(7) Uani 1 1 d .
Br1 Br 0.19648(7) 0.40347(7) 0.13441(3) 0.04174(18) Uani 1 1 d .
P1 P 0.47889(15) 0.73721(15) 0.32974(7) 0.0236(3) Uani 1 1 d .
Br2 Br 0.75829(7) 1.03847(7) 0.47349(3) 0.04570(18) Uani 1 1 d .
P2 P 0.38548(14) 0.76183(15) 0.18313(7) 0.0238(3) Uani 1 1 d .
P3 P 0.49630(14) 0.45781(15) 0.25619(8) 0.0243(3) Uani 1 1 d .
P4 P 0.16833(14) 0.59127(15) 0.30647(7) 0.0240(3) Uani 1 1 d .
C121 C 0.5614(6) 0.8869(6) 0.3044(3) 0.0277(13) Uani 1 1 d .
H12A H 0.5943 0.9637 0.3442 0.033 Uiso 1 1 calc R
H12B H 0.6390 0.8731 0.2839 0.033 Uiso 1 1 calc R
C122 C 0.4582(6) 0.9148(6) 0.2528(3) 0.0292(14) Uani 1 1 d .
H12C H 0.5032 0.9891 0.2351 0.035 Uiso 1 1 calc R
H12D H 0.3863 0.9398 0.2749 0.035 Uiso 1 1 calc R
C131 C 0.6091(6) 0.6728(6) 0.3668(3) 0.0301(14) Uani 1 1 d .
H13A H 0.6878 0.7476 0.3913 0.036 Uiso 1 1 calc R
H13B H 0.5742 0.6235 0.3990 0.036 Uiso 1 1 calc R
C132 C 0.6513(6) 0.5793(6) 0.3103(3) 0.0341(15) Uani 1 1 d .
H13C H 0.7088 0.5317 0.3301 0.041 Uiso 1 1 calc R
H13D H 0.7026 0.6316 0.2833 0.041 Uiso 1 1 calc R
C141 C 0.3822(6) 0.7871(6) 0.3946(3) 0.0283(13) Uani 1 1 d .
H14A H 0.4411 0.8181 0.4392 0.034 Uiso 1 1 calc R
H14B H 0.3488 0.8615 0.3860 0.034 Uiso 1 1 calc R
C142 C 0.2617(6) 0.6682(6) 0.3942(3) 0.0300(14) Uani 1 1 d .
H14C H 0.2014 0.6996 0.4231 0.036 Uiso 1 1 calc R
H14D H 0.2945 0.6016 0.4122 0.036 Uiso 1 1 calc R
C211 C 0.2558(6) 0.8024(6) 0.1287(3) 0.0334(15) Uani 1 1 d .
C212 C 0.2280(7) 0.9259(7) 0.1422(4) 0.0491(19) Uani 1 1 d .
H212 H 0.2723 0.9912 0.1825 0.059 Uiso 1 1 calc R
C213 C 0.1343(8) 0.9541(9) 0.0961(5) 0.070(3) Uani 1 1 d .
H213 H 0.1196 1.0393 0.1050 0.083 Uiso 1 1 calc R
C214 C 0.0649(7) 0.8592(10) 0.0388(4) 0.064(3) Uani 1 1 d .
H214 H 0.0012 0.8787 0.0091 0.077 Uiso 1 1 calc R
C215 C 0.0874(7) 0.7328(10) 0.0237(4) 0.060(2) Uani 1 1 d .
H215 H 0.0392 0.6674 -0.0158 0.072 Uiso 1 1 calc R
C216 C 0.1849(6) 0.7047(8) 0.0695(3) 0.0443(17) Uani 1 1 d .
H216 H 0.2015 0.6203 0.0598 0.053 Uiso 1 1 calc R
C221 C 0.5176(6) 0.7632(6) 0.1302(3) 0.0284(13) Uani 1 1 d .
C222 C 0.5953(6) 0.8825(7) 0.1191(3) 0.0412(16) Uani 1 1 d .
H222 H 0.5841 0.9652 0.1410 0.049 Uiso 1 1 calc R
C223 C 0.6887(7) 0.8790(9) 0.0760(4) 0.054(2) Uani 1 1 d .
H223 H 0.7410 0.9596 0.0696 0.065 Uiso 1 1 calc R
C224 C 0.7058(7) 0.7591(9) 0.0424(3) 0.053(2) Uani 1 1 d .
H224 H 0.7683 0.7577 0.0129 0.063 Uiso 1 1 calc R
C225 C 0.6288(7) 0.6393(8) 0.0528(3) 0.051(2) Uani 1 1 d .
H225 H 0.6394 0.5570 0.0299 0.061 Uiso 1 1 calc R
C226 C 0.5352(6) 0.6416(7) 0.0974(3) 0.0404(16) Uani 1 1 d .
H226 H 0.4851 0.5612 0.1049 0.048 Uiso 1 1 calc R
C311 C 0.4421(6) 0.3340(6) 0.3044(3) 0.0286(13) Uani 1 1 d .
C312 C 0.3034(7) 0.2760(7) 0.3015(4) 0.0456(18) Uani 1 1 d .
H312 H 0.2394 0.2963 0.2722 0.055 Uiso 1 1 calc R
C313 C 0.2588(9) 0.1879(8) 0.3418(5) 0.071(3) Uani 1 1 d .
H313 H 0.1658 0.1507 0.3397 0.085 Uiso 1 1 calc R
C314 C 0.3532(10) 0.1568(8) 0.3843(4) 0.064(3) Uani 1 1 d .
H314 H 0.3236 0.0993 0.4116 0.077 Uiso 1 1 calc R
C315 C 0.4925(9) 0.2099(8) 0.3871(4) 0.056(2) Uani 1 1 d .
H315 H 0.5557 0.1870 0.4156 0.067 Uiso 1 1 calc R
C316 C 0.5366(7) 0.2975(7) 0.3470(3) 0.0430(17) Uani 1 1 d .
H316 H 0.6297 0.3322 0.3483 0.052 Uiso 1 1 calc R
C321 C 0.5504(6) 0.3653(6) 0.1838(3) 0.0284(13) Uani 1 1 d .
C322 C 0.6728(7) 0.4169(7) 0.1635(4) 0.055(2) Uani 1 1 d .
H322 H 0.7320 0.4997 0.1890 0.066 Uiso 1 1 calc R
C323 C 0.7079(8) 0.3459(8) 0.1054(4) 0.068(3) Uani 1 1 d .
H323 H 0.7893 0.3823 0.0918 0.081 Uiso 1 1 calc R
C324 C 0.6232(8) 0.2232(7) 0.0683(4) 0.055(2) Uani 1 1 d .
H324 H 0.6473 0.1752 0.0299 0.066 Uiso 1 1 calc R
C325 C 0.5023(7) 0.1712(7) 0.0882(3) 0.0444(17) Uani 1 1 d .
H325 H 0.4440 0.0879 0.0628 0.053 Uiso 1 1 calc R
C326 C 0.4663(6) 0.2407(6) 0.1452(3) 0.0347(15) Uani 1 1 d .
H326 H 0.3843 0.2034 0.1581 0.042 Uiso 1 1 calc R
C411 C 0.0391(6) 0.4414(6) 0.3108(3) 0.0328(14) Uani 1 1 d .
C412 C 0.0171(8) 0.4107(9) 0.3713(4) 0.068(3) Uani 1 1 d .
H412 H 0.0688 0.4680 0.4125 0.082 Uiso 1 1 calc R
C413 C -0.0825(9) 0.2938(10) 0.3713(6) 0.083(3) Uani 1 1 d .
H413 H -0.0960 0.2733 0.4126 0.100 Uiso 1 1 calc R
C414 C -0.1590(8) 0.2109(8) 0.3130(6) 0.071(3) Uani 1 1 d .
H414 H -0.2265 0.1342 0.3139 0.085 Uiso 1 1 calc R
C415 C -0.1382(9) 0.2383(8) 0.2527(5) 0.079(3) Uani 1 1 d .
H415 H -0.1899 0.1792 0.2120 0.095 Uiso 1 1 calc R
C416 C -0.0392(8) 0.3552(8) 0.2512(4) 0.062(2) Uani 1 1 d .
H416 H -0.0265 0.3745 0.2095 0.074 Uiso 1 1 calc R
C421 C 0.0663(5) 0.7024(6) 0.2881(3) 0.0246(13) Uani 1 1 d .
C422 C 0.0344(6) 0.7961(6) 0.3379(3) 0.0355(15) Uani 1 1 d .
H422 H 0.0649 0.8038 0.3839 0.043 Uiso 1 1 calc R
C423 C -0.0424(7) 0.8784(7) 0.3199(4) 0.0441(17) Uani 1 1 d .
H423 H -0.0611 0.9430 0.3536 0.053 Uiso 1 1 calc R
C424 C -0.0909(6) 0.8638(7) 0.2516(4) 0.0442(18) Uani 1 1 d .
H424 H -0.1435 0.9182 0.2395 0.053 Uiso 1 1 calc R
C425 C -0.0623(6) 0.7701(7) 0.2015(3) 0.0396(16) Uani 1 1 d .
H425 H -0.0956 0.7604 0.1557 0.048 Uiso 1 1 calc R
C426 C 0.0164(6) 0.6902(6) 0.2199(3) 0.0303(14) Uani 1 1 d .
H426 H 0.0364 0.6270 0.1859 0.036 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'
Br Br -0.2901 2.4595 '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_publ_flag
P1 Pt1 P3 84.26(6) y
P1 Pt1 P2 85.10(6) y
P3 Pt1 P2 123.47(6) y
P1 Pt1 P4 84.68(6) y
P3 Pt1 P4 120.92(6) y
P2 Pt1 P4 113.03(6) y
P1 Pt1 Br1 177.36(4) y
P3 Pt1 Br1 93.31(5) y
P2 Pt1 Br1 95.42(5) y
P4 Pt1 Br1 97.48(5) y
C131 P1 C121 108.5(3) ?
C131 P1 C141 108.6(3) ?
C121 P1 C141 107.8(3) ?
C131 P1 Pt1 111.18(19) ?
C121 P1 Pt1 109.57(19) ?
C141 P1 Pt1 111.00(19) ?
C211 P2 C122 104.7(3) ?
C211 P2 C221 101.0(3) ?
C122 P2 C221 103.9(3) ?
C211 P2 Pt1 125.16(19) ?
C122 P2 Pt1 104.06(19) ?
C221 P2 Pt1 115.8(2) ?
C321 P3 C311 104.3(3) ?
C321 P3 C132 106.4(3) ?
C311 P3 C132 104.9(3) ?
C321 P3 Pt1 120.2(2) ?
C311 P3 Pt1 114.22(19) ?
C132 P3 Pt1 105.7(2) ?
C411 P4 C421 102.5(3) ?
C411 P4 C142 105.5(3) ?
C421 P4 C142 105.9(3) ?
C411 P4 Pt1 123.5(2) ?
C421 P4 Pt1 113.76(19) ?
C142 P4 Pt1 104.34(19) ?
C122 C121 P1 108.9(4) ?
C122 C121 H12A 109.9 ?
P1 C121 H12A 109.9 ?
C122 C121 H12B 109.9 ?
P1 C121 H12B 109.9 ?
H12A C121 H12B 108.3 ?
C121 C122 P2 108.6(4) ?
C121 C122 H12C 110.0 ?
P2 C122 H12C 110.0 ?
C121 C122 H12D 110.0 ?
P2 C122 H12D 110.0 ?
H12C C122 H12D 108.3 ?
C132 C131 P1 109.5(4) ?
C132 C131 H13A 109.8 ?
P1 C131 H13A 109.8 ?
C132 C131 H13B 109.8 ?
P1 C131 H13B 109.8 ?
H13A C131 H13B 108.2 ?
C131 C132 P3 108.2(4) ?
C131 C132 H13C 110.0 ?
P3 C132 H13C 110.0 ?
C131 C132 H13D 110.0 ?
P3 C132 H13D 110.0 ?
H13C C132 H13D 108.4 ?
C142 C141 P1 110.5(4) ?
C142 C141 H14A 109.6 ?
P1 C141 H14A 109.6 ?
C142 C141 H14B 109.6 ?
P1 C141 H14B 109.6 ?
H14A C141 H14B 108.1 ?
C141 C142 P4 109.3(4) ?
C141 C142 H14C 109.8 ?
P4 C142 H14C 109.8 ?
C141 C142 H14D 109.8 ?
P4 C142 H14D 109.8 ?
H14C C142 H14D 108.3 ?
C212 C211 C216 118.7(6) ?
C212 C211 P2 123.5(5) ?
C216 C211 P2 117.8(5) ?
C211 C212 C213 120.7(8) ?
C211 C212 H212 119.6 ?
C213 C212 H212 119.6 ?
C214 C213 C212 120.6(8) ?
C214 C213 H213 119.7 ?
C212 C213 H213 119.7 ?
C213 C214 C215 120.7(7) ?
C213 C214 H214 119.7 ?
C215 C214 H214 119.7 ?
C214 C215 C216 119.0(8) ?
C214 C215 H215 120.5 ?
C216 C215 H215 120.5 ?
C211 C216 C215 120.3(7) ?
C211 C216 H216 119.8 ?
C215 C216 H216 119.8 ?
C226 C221 C222 119.2(6) ?
C226 C221 P2 118.7(5) ?
C222 C221 P2 122.0(5) ?
C223 C222 C221 120.4(7) ?
C223 C222 H222 119.8 ?
C221 C222 H222 119.8 ?
C224 C223 C222 121.1(7) ?
C224 C223 H223 119.5 ?
C222 C223 H223 119.5 ?
C223 C224 C225 119.2(6) ?
C223 C224 H224 120.4 ?
C225 C224 H224 120.4 ?
C224 C225 C226 120.3(7) ?
C224 C225 H225 119.8 ?
C226 C225 H225 119.8 ?
C221 C226 C225 119.8(7) ?
C221 C226 H226 120.1 ?
C225 C226 H226 120.1 ?
C312 C311 C316 118.2(6) ?
C312 C311 P3 119.9(5) ?
C316 C311 P3 121.8(5) ?
C311 C312 C313 121.1(7) ?
C311 C312 H312 119.4 ?
C313 C312 H312 119.4 ?
C314 C313 C312 119.4(8) ?
C314 C313 H313 120.3 ?
C312 C313 H313 120.3 ?
C313 C314 C315 121.0(7) ?
C313 C314 H314 119.5 ?
C315 C314 H314 119.5 ?
C316 C315 C314 119.4(7) ?
C316 C315 H315 120.3 ?
C314 C315 H315 120.3 ?
C315 C316 C311 120.8(7) ?
C315 C316 H316 119.6 ?
C311 C316 H316 119.6 ?
C326 C321 C322 117.9(6) ?
C326 C321 P3 119.9(4) ?
C322 C321 P3 122.2(5) ?
C321 C322 C323 120.6(7) ?
C321 C322 H322 119.7 ?
C323 C322 H322 119.7 ?
C324 C323 C322 120.3(7) ?
C324 C323 H323 119.9 ?
C322 C323 H323 119.9 ?
C323 C324 C325 119.4(7) ?
C323 C324 H324 120.3 ?
C325 C324 H324 120.3 ?
C326 C325 C324 120.8(7) ?
C324 C325 H325 119.6 ?
C326 C325 H325 119.6 ?
C325 C326 C321 121.0(6) ?
C325 C326 H326 119.5 ?
C321 C326 H326 119.5 ?
C416 C411 C412 118.4(6) ?
C416 C411 P4 118.9(5) ?
C412 C411 P4 122.7(5) ?
C411 C412 C413 120.1(8) ?
C411 C412 H412 119.9 ?
C413 C412 H412 119.9 ?
C414 C413 C412 121.0(9) ?
C414 C413 H413 119.5 ?
C412 C413 H413 119.5 ?
C413 C414 C415 119.9(7) ?
C413 C414 H414 120.0 ?
C415 C414 H414 120.0 ?
C414 C415 C416 120.3(8) ?
C414 C415 H415 119.9 ?
C416 C415 H415 119.9 ?
C411 C416 C415 120.2(8) ?
C411 C416 H416 119.9 ?
C415 C416 H416 119.9 ?
C422 C421 C426 118.6(5) ?
C422 C421 P4 123.9(5) ?
C426 C421 P4 117.5(4) ?
C421 C422 C423 120.6(6) ?
C421 C422 H422 119.7 ?
C423 C422 H422 119.7 ?
C424 C423 C422 119.5(6) ?
C424 C423 H423 120.2 ?
C422 C423 H423 120.2 ?
C425 C424 C423 120.7(6) ?
C425 C424 H424 119.6 ?
C423 C424 H424 119.6 ?
C424 C425 C426 119.3(6) ?
C424 C425 H425 120.4 ?
C426 C425 H425 120.4 ?
C425 C426 C421 121.2(6) ?
C425 C426 H426 119.4 ?
C421 C426 H426 119.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 P1 2.2203(17) y
Pt1 P3 2.3382(16) y
Pt1 P2 2.3768(17) y
Pt1 P4 2.3880(16) y
Pt1 Br1 2.5495(13) y
P1 C131 1.802(6) ?
P1 C121 1.806(6) ?
P1 C141 1.809(6) ?
P2 C211 1.823(6) ?
P2 C122 1.825(6) ?
P2 C221 1.829(6) ?
P3 C321 1.809(6) ?
P3 C311 1.816(6) ?
P3 C132 1.830(6) ?
P4 C411 1.819(6) ?
P4 C421 1.821(6) ?
P4 C142 1.830(6) ?
C121 C122 1.529(8) ?
C121 H12A 0.9700 ?
C121 H12B 0.9700 ?
C122 H12C 0.9700 ?
C122 H12D 0.9700 ?
C131 C132 1.523(8) ?
C131 H13A 0.9700 ?
C131 H13B 0.9700 ?
C132 H13C 0.9700 ?
C132 H13D 0.9700 ?
C141 C142 1.524(8) ?
C141 H14A 0.9700 ?
C141 H14B 0.9700 ?
C142 H14C 0.9700 ?
C142 H14D 0.9700 ?
C211 C212 1.377(9) ?
C211 C216 1.388(9) ?
C212 C213 1.394(10) ?
C212 H212 0.9300 ?
C213 C214 1.346(12) ?
C213 H213 0.9300 ?
C214 C215 1.383(12) ?
C214 H214 0.9300 ?
C215 C216 1.415(9) ?
C215 H215 0.9300 ?
C216 H216 0.9300 ?
C221 C226 1.375(8) ?
C221 C222 1.391(8) ?
C222 C223 1.377(9) ?
C222 H222 0.9300 ?
C223 C224 1.363(11) ?
C223 H223 0.9300 ?
C224 C225 1.387(10) ?
C224 H224 0.9300 ?
C225 C226 1.400(9) ?
C225 H225 0.9300 ?
C226 H226 0.9300 ?
C311 C312 1.391(8) ?
C311 C316 1.404(8) ?
C312 C313 1.397(10) ?
C312 H312 0.9300 ?
C313 C314 1.371(11) ?
C313 H313 0.9300 ?
C314 C315 1.390(11) ?
C314 H314 0.9300 ?
C315 C316 1.389(10) ?
C315 H315 0.9300 ?
C316 H316 0.9300 ?
C321 C326 1.384(8) ?
C321 C322 1.388(9) ?
C322 C323 1.393(10) ?
C322 H322 0.9300 ?
C323 C324 1.365(10) ?
C323 H323 0.9300 ?
C324 C325 1.372(10) ?
C324 H324 0.9300 ?
C325 C326 1.373(9) ?
C325 H325 0.9300 ?
C326 H326 0.9300 ?
C411 C416 1.368(9) ?
C411 C412 1.371(9) ?
C412 C413 1.392(11) ?
C412 H412 0.9300 ?
C413 C414 1.334(13) ?
C413 H413 0.9300 ?
C414 C415 1.349(12) ?
C414 H414 0.9300 ?
C415 C416 1.398(10) ?
C415 H415 0.9300 ?
C416 H416 0.9300 ?
C421 C422 1.383(8) ?
C421 C426 1.389(8) ?
C422 C423 1.385(9) ?
C422 H422 0.9300 ?
C423 C424 1.383(10) ?
C423 H423 0.9300 ?
C424 C425 1.371(9) ?
C424 H424 0.9300 ?
C425 C426 1.380(8) ?
C425 H425 0.9300 ?
C426 H426 0.9300 ?
