#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:53:03 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179819 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/15/7011575.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_7011575
loop_
_publ_author_name
'Wachtler, Helmuth'
'Schuh, Walter'
'Ongania, Karl-Hans'
'Kopacka, Holger'
'Wurst, Klaus'
'Peringer, Paul'
_publ_section_title
;
 P(CH2CH2PPh2)3 Bridged Group 10 dimetal centres
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2532
_journal_paper_doi               10.1039/b201709a
_journal_year                    2002
_chemical_formula_sum            'C45 H48 Cl8 P4 Pd2'
_chemical_formula_weight         1209.11
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 102.40(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.450(2)
_cell_length_b                   23.723(5)
_cell_length_c                   17.271(2)
_cell_measurement_reflns_used    31
_cell_measurement_temperature    218(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5.4
_cell_volume                     4982.0(15)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      218(2)
_diffrn_measurement_device       'Bruker P4'
_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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7059
_diffrn_reflns_theta_max         22.75
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.311
_exptl_absorpt_correction_T_max  0.963
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_description       prism
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.424
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       0.00076(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.071
_refine_ls_goodness_of_fit_obs   1.100
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         6434
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.204
_refine_ls_restrained_S_obs      1.100
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_obs          0.0313
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0238P)²+11.7192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0791
_refine_ls_wR_factor_obs         0.0663
_reflns_number_observed          5704
_reflns_number_total             6703
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b201709a.txt
_cod_data_source_block           kor
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'PSI-scan' changed to 'psi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0238P)^2^+11.7192P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0238P)^2^+11.7192P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4982.0(14)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7011575
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pd1 Pd 0.65363(2) 0.192996(13) 0.53328(2) 0.02019(10) Uani 1 d . .
Pd2 Pd 0.81286(2) 0.206817(13) 0.65296(2) 0.02070(10) Uani 1 d . .
P1 P 0.75846(8) 0.23360(4) 0.46181(6) 0.0223(2) Uani 1 d . .
P2 P 0.52148(9) 0.18659(5) 0.41856(6) 0.0230(2) Uani 1 d . .
P3 P 0.75931(9) 0.29998(4) 0.63764(6) 0.0226(2) Uani 1 d . .
P4 P 0.89249(9) 0.13356(4) 0.59868(6) 0.0236(3) Uani 1 d . .
Cl1 Cl 0.57137(9) 0.14095(5) 0.62450(7) 0.0351(3) Uani 1 d . .
Cl2 Cl 0.91059(9) 0.19286(5) 0.79298(6) 0.0326(3) Uani 1 d . .
Cl3 Cl 0.7503(2) 0.45006(7) 0.39293(10) 0.0897(6) Uani 1 d . .
Cl4 Cl 0.54151(13) 0.39309(7) 0.33708(9) 0.0649(4) Uani 1 d . .
Cl5 Cl 1.0934(2) 0.35077(12) 0.5209(2) 0.1358(10) Uani 1 d . .
Cl6 Cl 1.1959(2) 0.34764(11) 0.6893(2) 0.1203(8) Uani 1 d . .
Cl7 Cl 0.7498(2) 0.56276(14) 0.6382(2) 0.1424(11) Uani 1 d . .
Cl8 Cl 0.9262(3) 0.50478(13) 0.5899(2) 0.1518(11) Uani 1 d . .
C1 C 0.6720(5) 0.4086(2) 0.3171(3) 0.0528(14) Uani 1 d . .
H1A H 0.7111 0.3733 0.3124 0.063 Uiso 1 calc . .
H1B H 0.6624 0.4287 0.2666 0.063 Uiso 1 calc . .
C2 C 1.1265(7) 0.3882(3) 0.6101(7) 0.117(3) Uani 1 d . .
H2A H 1.1724 0.4206 0.6033 0.141 Uiso 1 calc . .
H2B H 1.0586 0.4027 0.6229 0.141 Uiso 1 calc . .
C3 C 0.8899(7) 0.5522(4) 0.6554(4) 0.101(3) Uani 1 d . .
H3A H 0.9158 0.5383 0.7096 0.121 Uiso 1 calc . .
H3B H 0.9263 0.5883 0.6509 0.121 Uiso 1 calc . .
C12 C 0.6917(3) 0.2261(2) 0.3562(2) 0.0278(10) Uani 1 d . .
H12A H 0.7200 0.2548 0.3249 0.033 Uiso 1 calc . .
H12B H 0.7080 0.1889 0.3370 0.033 Uiso 1 calc . .
C21 C 0.5667(3) 0.2332(2) 0.3465(2) 0.0283(10) Uani 1 d . .
H21A H 0.5291 0.2231 0.2925 0.034 Uiso 1 calc . .
H21B H 0.5491 0.2724 0.3562 0.034 Uiso 1 calc . .
C13 C 0.7802(3) 0.3093(2) 0.4749(2) 0.0271(10) Uani 1 d . .
H13A H 0.8295 0.3217 0.4411 0.033 Uiso 1 calc . .
H13B H 0.7095 0.3284 0.4566 0.033 Uiso 1 calc . .
C31 C 0.8287(3) 0.3280(2) 0.5601(2) 0.0258(10) Uani 1 d . .
H31A H 0.8266 0.3693 0.5620 0.031 Uiso 1 calc . .
H31B H 0.9061 0.3166 0.5737 0.031 Uiso 1 calc . .
C14 C 0.8923(3) 0.2004(2) 0.4669(2) 0.0273(10) Uani 1 d . .
H14A H 0.9124 0.2029 0.4152 0.033 Uiso 1 calc . .
H14B H 0.9486 0.2201 0.5060 0.033 Uiso 1 calc . .
C41 C 0.8872(3) 0.1386(2) 0.4907(2) 0.0292(10) Uani 1 d . .
H41A H 0.9492 0.1180 0.4777 0.035 Uiso 1 calc . .
H41B H 0.8189 0.1216 0.4611 0.035 Uiso 1 calc . .
C201 C 0.5166(3) 0.1159(2) 0.3757(3) 0.0277(10) Uani 1 d . .
C202 C 0.4847(4) 0.1060(2) 0.2943(3) 0.0380(12) Uani 1 d . .
H202 H 0.4631 0.1362 0.2592 0.046 Uiso 1 calc . .
C203 C 0.4849(4) 0.0510(2) 0.2651(3) 0.0506(14) Uani 1 d . .
H203 H 0.4649 0.0443 0.2102 0.061 Uiso 1 calc . .
C204 C 0.5144(4) 0.0064(2) 0.3167(3) 0.0476(14) Uani 1 d . .
H204 H 0.5140 -0.0305 0.2969 0.057 Uiso 1 calc . .
C205 C 0.5440(4) 0.0158(2) 0.3964(3) 0.0456(13) Uani 1 d . .
H205 H 0.5630 -0.0149 0.4312 0.055 Uiso 1 calc . .
C206 C 0.5464(4) 0.0703(2) 0.4265(3) 0.0362(11) Uani 1 d . .
H206 H 0.5683 0.0763 0.4814 0.043 Uiso 1 calc . .
C207 C 0.3794(3) 0.2057(2) 0.4157(2) 0.0243(9) Uani 1 d . .
C208 C 0.3251(4) 0.2477(2) 0.3670(3) 0.0441(13) Uani 1 d . .
H208 H 0.3626 0.2674 0.3337 0.053 Uiso 1 calc . .
C209 C 0.2166(4) 0.2615(2) 0.3664(3) 0.0535(15) Uani 1 d . .
H209 H 0.1812 0.2902 0.3329 0.064 Uiso 1 calc . .
C210 C 0.1616(4) 0.2330(2) 0.4150(3) 0.0408(12) Uani 1 d . .
H210 H 0.0876 0.2416 0.4139 0.049 Uiso 1 calc . .
C211 C 0.2138(4) 0.1918(2) 0.4653(3) 0.0393(12) Uani 1 d . .
H211 H 0.1762 0.1728 0.4993 0.047 Uiso 1 calc . .
C212 C 0.3225(4) 0.1783(2) 0.4657(3) 0.0323(11) Uani 1 d . .
H212 H 0.3581 0.1502 0.5002 0.039 Uiso 1 calc . .
C301 C 0.6178(3) 0.3247(2) 0.6046(2) 0.0280(10) Uani 1 d . .
C302 C 0.5929(4) 0.3761(2) 0.5647(3) 0.0440(13) Uani 1 d . .
H302 H 0.6501 0.3997 0.5567 0.053 Uiso 1 calc . .
C303 C 0.4850(5) 0.3924(3) 0.5373(3) 0.064(2) Uani 1 d . .
H303 H 0.4693 0.4271 0.5110 0.077 Uiso 1 calc . .
C304 C 0.4005(5) 0.3582(3) 0.5482(4) 0.070(2) Uani 1 d . .
H304 H 0.3272 0.3691 0.5283 0.084 Uiso 1 calc . .
C305 C 0.4232(4) 0.3074(3) 0.5887(4) 0.056(2) Uani 1 d . .
H305 H 0.3654 0.2843 0.5970 0.067 Uiso 1 calc . .
C306 C 0.5315(4) 0.2911(2) 0.6168(3) 0.0399(12) Uani 1 d . .
H306 H 0.5467 0.2568 0.6444 0.048 Uiso 1 calc . .
C307 C 0.8213(3) 0.3498(2) 0.7167(2) 0.0258(10) Uani 1 d . .
C308 C 0.7675(4) 0.3967(2) 0.7375(3) 0.0368(11) Uani 1 d . .
H308 H 0.6925 0.4023 0.7149 0.044 Uiso 1 calc . .
C309 C 0.8240(5) 0.4355(2) 0.7917(3) 0.0504(14) Uani 1 d . .
H309 H 0.7869 0.4670 0.8060 0.060 Uiso 1 calc . .
C310 C 0.9336(4) 0.4278(2) 0.8244(3) 0.0431(13) Uani 1 d . .
H310 H 0.9722 0.4547 0.8596 0.052 Uiso 1 calc . .
C311 C 0.9868(4) 0.3806(2) 0.8052(3) 0.0391(12) Uani 1 d . .
H311 H 1.0617 0.3750 0.8281 0.047 Uiso 1 calc . .
C312 C 0.9309(4) 0.3416(2) 0.7530(3) 0.0316(11) Uani 1 d . .
H312 H 0.9674 0.3089 0.7416 0.038 Uiso 1 calc . .
C401 C 1.0436(3) 0.1334(2) 0.6325(2) 0.0279(10) Uani 1 d . .
C402 C 1.0975(4) 0.1831(2) 0.6588(3) 0.0381(12) Uani 1 d . .
H402 H 1.0566 0.2152 0.6661 0.046 Uiso 1 calc . .
C403 C 1.2117(4) 0.1858(2) 0.6745(3) 0.0484(14) Uani 1 d . .
H403 H 1.2472 0.2200 0.6913 0.058 Uiso 1 calc . .
C404 C 1.2738(4) 0.1389(3) 0.6657(3) 0.0495(14) Uani 1 d . .
H404 H 1.3510 0.1409 0.6766 0.059 Uiso 1 calc . .
C405 C 1.2200(4) 0.0890(2) 0.6406(3) 0.0497(14) Uani 1 d . .
H405 H 1.2613 0.0566 0.6351 0.060 Uiso 1 calc . .
C406 C 1.1055(4) 0.0859(2) 0.6235(3) 0.0401(12) Uani 1 d . .
H406 H 1.0701 0.0519 0.6058 0.048 Uiso 1 calc . .
C407 C 0.8503(3) 0.0613(2) 0.6132(3) 0.0269(10) Uani 1 d . .
C408 C 0.8197(4) 0.0226(2) 0.5522(3) 0.0401(12) Uani 1 d . .
H408 H 0.8265 0.0321 0.5006 0.048 Uiso 1 calc . .
C409 C 0.7791(4) -0.0299(2) 0.5667(3) 0.0455(13) Uani 1 d . .
H409 H 0.7591 -0.0559 0.5249 0.055 Uiso 1 calc . .
C410 C 0.7680(4) -0.0443(2) 0.6412(3) 0.0425(13) Uani 1 d . .
H410 H 0.7389 -0.0796 0.6504 0.051 Uiso 1 calc . .
C411 C 0.7999(4) -0.0066(2) 0.7029(3) 0.0450(13) Uani 1 d . .
H411 H 0.7942 -0.0165 0.7546 0.054 Uiso 1 calc . .
C412 C 0.8400(4) 0.0457(2) 0.6882(3) 0.0370(11) Uani 1 d . .
H412 H 0.8608 0.0713 0.7304 0.044 Uiso 1 calc . .
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'
Pd Pd -0.9988 1.0072 '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
P1 Pd1 P2 86.92(4) . . ?
P1 Pd1 Cl1 169.13(4) . . ?
P2 Pd1 Cl1 101.84(4) . . ?
P1 Pd1 Pd2 86.97(3) . . ?
P2 Pd1 Pd2 173.81(3) . . ?
Cl1 Pd1 Pd2 84.34(3) . . ?
P4 Pd2 P3 144.78(4) . . ?
P4 Pd2 Cl2 97.60(4) . . ?
P3 Pd2 Cl2 107.96(4) . . ?
P4 Pd2 Pd1 84.31(3) . . ?
P3 Pd2 Pd1 82.85(3) . . ?
Cl2 Pd2 Pd1 154.35(3) . . ?
C13 P1 C14 108.0(2) . . ?
C13 P1 C12 104.0(2) . . ?
C14 P1 C12 102.7(2) . . ?
C13 P1 Pd1 116.82(14) . . ?
C14 P1 Pd1 115.37(14) . . ?
C12 P1 Pd1 108.47(14) . . ?
C207 P2 C201 105.7(2) . . ?
C207 P2 C21 105.6(2) . . ?
C201 P2 C21 105.4(2) . . ?
C207 P2 Pd1 121.40(13) . . ?
C201 P2 Pd1 111.47(14) . . ?
C21 P2 Pd1 106.11(13) . . ?
C301 P3 C307 104.3(2) . . ?
C301 P3 C31 103.0(2) . . ?
C307 P3 C31 96.8(2) . . ?
C301 P3 Pd2 125.32(15) . . ?
C307 P3 Pd2 117.66(14) . . ?
C31 P3 Pd2 104.91(13) . . ?
C407 P4 C401 105.0(2) . . ?
C407 P4 C41 104.5(2) . . ?
C401 P4 C41 97.6(2) . . ?
C407 P4 Pd2 119.46(14) . . ?
C401 P4 Pd2 111.81(14) . . ?
C41 P4 Pd2 115.82(14) . . ?
Cl3 C1 Cl4 110.9(3) . . ?
Cl6 C2 Cl5 113.2(4) . . ?
Cl7 C3 Cl8 112.3(5) . . ?
C21 C12 P1 109.2(3) . . ?
C12 C21 P2 108.1(3) . . ?
C31 C13 P1 115.0(3) . . ?
C13 C31 P3 115.9(3) . . ?
C41 C14 P1 109.6(3) . . ?
C14 C41 P4 109.7(3) . . ?
C206 C201 C202 118.9(4) . . ?
C206 C201 P2 118.5(3) . . ?
C202 C201 P2 122.7(3) . . ?
C201 C202 C203 119.9(5) . . ?
C204 C203 C202 120.1(5) . . ?
C205 C204 C203 120.3(5) . . ?
C204 C205 C206 120.5(5) . . ?
C205 C206 C201 120.4(4) . . ?
C208 C207 C212 117.9(4) . . ?
C208 C207 P2 122.8(3) . . ?
C212 C207 P2 119.3(3) . . ?
C207 C208 C209 121.5(4) . . ?
C210 C209 C208 119.5(4) . . ?
C209 C210 C211 120.5(4) . . ?
C210 C211 C212 119.6(4) . . ?
C211 C212 C207 121.0(4) . . ?
C306 C301 C302 118.5(4) . . ?
C306 C301 P3 119.6(3) . . ?
C302 C301 P3 121.9(3) . . ?
C303 C302 C301 120.5(5) . . ?
C304 C303 C302 120.3(5) . . ?
C303 C304 C305 120.2(5) . . ?
C306 C305 C304 119.7(5) . . ?
C305 C306 C301 120.8(5) . . ?
C308 C307 C312 118.6(4) . . ?
C308 C307 P3 123.9(3) . . ?
C312 C307 P3 117.3(3) . . ?
C307 C308 C309 120.2(4) . . ?
C310 C309 C308 120.3(5) . . ?
C309 C310 C311 119.7(4) . . ?
C312 C311 C310 120.2(4) . . ?
C311 C312 C307 120.9(4) . . ?
C402 C401 C406 119.0(4) . . ?
C402 C401 P4 119.5(3) . . ?
C406 C401 P4 121.1(3) . . ?
C401 C402 C403 120.5(4) . . ?
C404 C403 C402 120.9(5) . . ?
C403 C404 C405 118.6(4) . . ?
C404 C405 C406 121.0(5) . . ?
C401 C406 C405 120.0(5) . . ?
C412 C407 C408 118.1(4) . . ?
C412 C407 P4 117.9(3) . . ?
C408 C407 P4 123.8(3) . . ?
C407 C408 C409 120.5(4) . . ?
C410 C409 C408 120.5(5) . . ?
C409 C410 C411 119.7(4) . . ?
C412 C411 C410 119.6(5) . . ?
C407 C412 C411 121.6(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
Pd1 P1 2.2014(11) . ?
Pd1 P2 2.2925(11) . ?
Pd1 Cl1 2.3976(11) . ?
Pd1 Pd2 2.5593(6) . ?
Pd2 P4 2.2980(11) . ?
Pd2 P3 2.3072(12) . ?
Pd2 Cl2 2.4848(11) . ?
P1 C13 1.822(4) . ?
P1 C14 1.828(4) . ?
P1 C12 1.843(4) . ?
P2 C207 1.817(4) . ?
P2 C201 1.829(4) . ?
P2 C21 1.841(4) . ?
P3 C301 1.828(4) . ?
P3 C307 1.845(4) . ?
P3 C31 1.865(4) . ?
P4 C407 1.826(4) . ?
P4 C401 1.846(4) . ?
P4 C41 1.856(4) . ?
Cl3 C1 1.757(6) . ?
Cl4 C1 1.770(6) . ?
Cl5 C2 1.750(10) . ?
Cl6 C2 1.743(11) . ?
Cl7 C3 1.723(9) . ?
Cl8 C3 1.723(9) . ?
C12 C21 1.537(6) . ?
C13 C31 1.532(6) . ?
C14 C41 1.526(6) . ?
C201 C206 1.393(6) . ?
C201 C202 1.396(6) . ?
C202 C203 1.399(7) . ?
C203 C204 1.380(8) . ?
C204 C205 1.363(7) . ?
C205 C206 1.392(7) . ?
C207 C208 1.383(6) . ?
C207 C212 1.390(6) . ?
C208 C209 1.387(7) . ?
C209 C210 1.372(7) . ?
C210 C211 1.375(7) . ?
C211 C212 1.389(6) . ?
C301 C306 1.390(6) . ?
C301 C302 1.404(6) . ?
C302 C303 1.380(7) . ?
C303 C304 1.374(9) . ?
C304 C305 1.390(9) . ?
C305 C306 1.386(7) . ?
C307 C308 1.385(6) . ?
C307 C312 1.388(6) . ?
C308 C309 1.391(7) . ?
C309 C310 1.372(7) . ?
C310 C311 1.378(7) . ?
C311 C312 1.373(6) . ?
C401 C402 1.383(6) . ?
C401 C406 1.393(6) . ?
C402 C403 1.391(7) . ?
C403 C404 1.381(7) . ?
C404 C405 1.383(8) . ?
C405 C406 1.395(7) . ?
C407 C412 1.379(6) . ?
C407 C408 1.387(6) . ?
C408 C409 1.388(7) . ?
C409 C410 1.366(7) . ?
C410 C411 1.383(7) . ?
C411 C412 1.381(7) . ?
