#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:20:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179105 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/67/4306743.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_4306743
loop_
_publ_author_name
'Alen Hadzovic'
'Datong Song'
_publ_section_title
;
Syntheses, Structures, and Reactivities of Novel Palladium
β-Diiminato-Acetate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12010
_journal_page_last               12017
_journal_paper_doi               10.1021/ic801557c
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C34 H34 N4 Pd'
_chemical_formula_sum            'C34 H34 N4 Pd'
_chemical_formula_weight         605.05
_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                 97.4760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   10.8762(4)
_cell_length_b                   25.4132(9)
_cell_length_c                   15.3475(4)
_cell_measurement_reflns_used    9594
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      1.60
_cell_volume                     4206.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            36941
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.692
_exptl_absorpt_correction_T_max  0.9693
_exptl_absorpt_correction_T_min  0.7707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex 2'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         9594
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0342
_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)+(0.0319P)²+1.5206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0796
_reflns_number_gt                7206
_reflns_number_total             9594
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801557c_si_001_3.cif
_cod_data_source_block           Complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4306743
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
Pd1 Pd 0.522469(17) -0.164035(7) 0.013915(11) 0.01316(6) Uani 1 1 d . . .
Pd2 Pd 0.5000 0.5000 0.0000 0.01289(7) Uani 1 2 d S . .
N1 N 0.67921(18) -0.18556(8) -0.03427(13) 0.0173(5) Uani 1 1 d . . .
N2 N 0.45828(18) -0.13989(8) -0.10970(12) 0.0164(4) Uani 1 1 d . . .
N3 N 0.35954(18) -0.14678(8) 0.06063(12) 0.0137(4) Uani 1 1 d . . .
N4 N 0.58523(18) -0.18849(8) 0.13850(13) 0.0160(4) Uani 1 1 d . . .
N5 N 0.41849(18) 0.53008(8) -0.11600(12) 0.0160(4) Uani 1 1 d . . .
N6 N 0.35325(17) 0.51731(8) 0.06562(12) 0.0146(4) Uani 1 1 d . . .
C1 C 0.8547(3) -0.16575(13) -0.1159(2) 0.0404(8) Uani 1 1 d . . .
H1A H 0.8626 -0.2027 -0.1273 0.061 Uiso 1 1 calc R . .
H1B H 0.9172 -0.1554 -0.0690 0.061 Uiso 1 1 calc R . .
H1C H 0.8649 -0.1461 -0.1679 0.061 Uiso 1 1 calc R . .
C2 C 0.7280(2) -0.15491(10) -0.08982(17) 0.0219(6) Uani 1 1 d . . .
C3 C 0.6615(2) -0.11311(10) -0.13401(17) 0.0234(6) Uani 1 1 d . . .
H3A H 0.7067 -0.0849 -0.1518 0.028 Uiso 1 1 calc R . .
C4 C 0.5328(2) -0.11104(10) -0.15295(16) 0.0201(6) Uani 1 1 d . . .
C5 C 0.4834(3) -0.07620(12) -0.22942(18) 0.0378(8) Uani 1 1 d . . .
H5A H 0.4281 -0.0961 -0.2707 0.057 Uiso 1 1 calc R . .
H5B H 0.5513 -0.0634 -0.2577 0.057 Uiso 1 1 calc R . .
H5C H 0.4397 -0.0470 -0.2084 0.057 Uiso 1 1 calc R . .
C6 C 0.7320(2) -0.23465(10) -0.00311(16) 0.0187(5) Uani 1 1 d . . .
C7 C 0.6584(2) -0.27941(10) -0.01656(17) 0.0233(6) Uani 1 1 d . . .
H7A H 0.5797 -0.2767 -0.0482 0.028 Uiso 1 1 calc R . .
C8 C 0.6999(3) -0.32745(11) 0.0160(2) 0.0350(7) Uani 1 1 d . . .
H8A H 0.6493 -0.3570 0.0067 0.042 Uiso 1 1 calc R . .
C9 C 0.8176(3) -0.33179(13) 0.0630(2) 0.0413(8) Uani 1 1 d . . .
H9A H 0.8464 -0.3642 0.0852 0.050 Uiso 1 1 calc R . .
C10 C 0.8914(3) -0.28771(13) 0.07635(19) 0.0395(8) Uani 1 1 d . . .
H10A H 0.9704 -0.2906 0.1074 0.047 Uiso 1 1 calc R . .
C11 C 0.8493(2) -0.23906(12) 0.04418(18) 0.0296(7) Uani 1 1 d . . .
H11A H 0.8996 -0.2095 0.0542 0.035 Uiso 1 1 calc R . .
C12 C 0.3390(2) -0.15770(10) -0.14663(15) 0.0184(6) Uani 1 1 d . . .
C13 C 0.3099(2) -0.20995(10) -0.13085(16) 0.0204(6) Uani 1 1 d . . .
H13A H 0.3684 -0.2308 -0.0974 0.024 Uiso 1 1 calc R . .
C14 C 0.1966(2) -0.23172(11) -0.16355(17) 0.0274(6) Uani 1 1 d . . .
H14A H 0.1797 -0.2667 -0.1515 0.033 Uiso 1 1 calc R . .
C15 C 0.1086(3) -0.20175(13) -0.21390(17) 0.0320(7) Uani 1 1 d . . .
H15A H 0.0332 -0.2164 -0.2374 0.038 Uiso 1 1 calc R . .
C16 C 0.1348(3) -0.14964(13) -0.22869(18) 0.0341(7) Uani 1 1 d . . .
H16A H 0.0760 -0.1291 -0.2625 0.041 Uiso 1 1 calc R . .
C17 C 0.2469(2) -0.12729(11) -0.19433(17) 0.0274(6) Uani 1 1 d . . .
H17A H 0.2608 -0.0917 -0.2031 0.033 Uiso 1 1 calc R . .
C18 C 0.1869(2) -0.17551(11) 0.14039(19) 0.0294(7) Uani 1 1 d . . .
H18A H 0.1692 -0.1389 0.1479 0.044 Uiso 1 1 calc R . .
H18B H 0.1849 -0.1937 0.1950 0.044 Uiso 1 1 calc R . .
H18C H 0.1259 -0.1903 0.0964 0.044 Uiso 1 1 calc R . .
C19 C 0.3146(2) -0.18123(10) 0.11171(16) 0.0171(5) Uani 1 1 d . . .
C20 C 0.3852(2) -0.22494(10) 0.14686(16) 0.0195(6) Uani 1 1 d . . .
H20A H 0.3416 -0.2551 0.1585 0.023 Uiso 1 1 calc R . .
C21 C 0.5127(2) -0.22691(10) 0.16537(15) 0.0179(5) Uani 1 1 d . . .
C22 C 0.5648(3) -0.27529(10) 0.21568(17) 0.0266(6) Uani 1 1 d . . .
H22A H 0.6499 -0.2801 0.2069 0.040 Uiso 1 1 calc R . .
H22B H 0.5177 -0.3057 0.1947 0.040 Uiso 1 1 calc R . .
H22C H 0.5597 -0.2706 0.2772 0.040 Uiso 1 1 calc R . .
C23 C 0.2986(2) -0.09891(10) 0.03232(15) 0.0163(5) Uani 1 1 d . . .
C24 C 0.3668(2) -0.05276(10) 0.03963(17) 0.0230(6) Uani 1 1 d . . .
H24A H 0.4494 -0.0536 0.0646 0.028 Uiso 1 1 calc R . .
C25 C 0.3141(3) -0.00545(11) 0.0104(2) 0.0344(7) Uani 1 1 d . . .
H25A H 0.3609 0.0253 0.0159 0.041 Uiso 1 1 calc R . .
C26 C 0.1905(3) -0.00396(12) -0.0274(2) 0.0393(8) Uani 1 1 d . . .
H26A H 0.1541 0.0278 -0.0465 0.047 Uiso 1 1 calc R . .
C27 C 0.1227(3) -0.04974(12) -0.03632(17) 0.0326(7) Uani 1 1 d . . .
H27A H 0.0403 -0.0488 -0.0618 0.039 Uiso 1 1 calc R . .
C28 C 0.1759(2) -0.09726(11) -0.00771(16) 0.0239(6) Uani 1 1 d . . .
H28A H 0.1297 -0.1281 -0.0152 0.029 Uiso 1 1 calc R . .
C29 C 0.7001(2) -0.17292(9) 0.18391(15) 0.0164(5) Uani 1 1 d . . .
C30 C 0.7674(2) -0.13371(10) 0.14731(16) 0.0212(6) Uani 1 1 d . . .
H30A H 0.7345 -0.1186 0.0941 0.025 Uiso 1 1 calc R . .
C31 C 0.8816(2) -0.11664(11) 0.18803(17) 0.0253(6) Uani 1 1 d . . .
H31A H 0.9254 -0.0913 0.1609 0.030 Uiso 1 1 calc R . .
C32 C 0.9313(2) -0.13693(11) 0.26873(17) 0.0261(6) Uani 1 1 d . . .
H32A H 1.0089 -0.1263 0.2956 0.031 Uiso 1 1 calc R . .
C33 C 0.8630(3) -0.17317(11) 0.30796(18) 0.0287(7) Uani 1 1 d . . .
H33A H 0.8943 -0.1864 0.3629 0.034 Uiso 1 1 calc R . .
C34 C 0.7485(2) -0.19068(11) 0.26814(17) 0.0249(6) Uani 1 1 d . . .
H34A H 0.7034 -0.2144 0.2975 0.030 Uiso 1 1 calc R . .
C35 C 0.4304(3) 0.61883(10) -0.18582(17) 0.0266(6) Uani 1 1 d . . .
H35A H 0.4714 0.6484 -0.1559 0.040 Uiso 1 1 calc R . .
H35B H 0.3440 0.6194 -0.1787 0.040 Uiso 1 1 calc R . .
H35C H 0.4391 0.6206 -0.2472 0.040 Uiso 1 1 calc R . .
C36 C 0.4885(2) 0.56821(10) -0.14728(15) 0.0186(5) Uani 1 1 d . . .
C38 C 0.3038(2) 0.51496(10) -0.16034(15) 0.0161(5) Uani 1 1 d . . .
C39 C 0.2653(2) 0.52895(10) -0.24825(15) 0.0210(6) Uani 1 1 d . . .
H39A H 0.3175 0.5491 -0.2783 0.025 Uiso 1 1 calc R . .
C40 C 0.1513(2) 0.51341(11) -0.29102(16) 0.0249(6) Uani 1 1 d . . .
H40A H 0.1275 0.5238 -0.3489 0.030 Uiso 1 1 calc R . .
C41 C 0.0728(2) 0.48292(11) -0.24916(16) 0.0238(6) Uani 1 1 d . . .
H41A H -0.0052 0.4738 -0.2773 0.029 Uiso 1 1 calc R . .
C42 C 0.1118(2) 0.46601(10) -0.16442(16) 0.0220(6) Uani 1 1 d . . .
H42A H 0.0609 0.4442 -0.1362 0.026 Uiso 1 1 calc R . .
C43 C 0.2260(2) 0.48123(10) -0.12113(16) 0.0193(5) Uani 1 1 d . . .
H43A H 0.2513 0.4687 -0.0647 0.023 Uiso 1 1 calc R . .
C46 C 0.2047(3) 0.49175(11) 0.16728(18) 0.0292(7) Uani 1 1 d . . .
H46A H 0.1887 0.5288 0.1711 0.044 Uiso 1 1 calc R . .
H46B H 0.2199 0.4771 0.2254 0.044 Uiso 1 1 calc R . .
H46C H 0.1341 0.4747 0.1351 0.044 Uiso 1 1 calc R . .
C47 C 0.3167(2) 0.48323(10) 0.12066(16) 0.0190(5) Uani 1 1 d . . .
C48 C 0.3851(2) 0.43614(10) 0.14328(16) 0.0216(6) Uani 1 1 d . . .
H48 H 0.3410 0.4064 0.1562 0.026 Uiso 1 1 calc R . .
C49 C 0.2933(2) 0.56676(10) 0.04586(15) 0.0182(5) Uani 1 1 d . . .
C50 C 0.3659(3) 0.61146(10) 0.04787(16) 0.0255(6) Uani 1 1 d . . .
H50A H 0.4513 0.6086 0.0628 0.031 Uiso 1 1 calc R . .
C51 C 0.3135(4) 0.66046(11) 0.02792(19) 0.0400(8) Uani 1 1 d . . .
H51A H 0.3633 0.6903 0.0302 0.048 Uiso 1 1 calc R . .
C52 C 0.1865(4) 0.66451(13) 0.0046(2) 0.0461(9) Uani 1 1 d . . .
H52A H 0.1503 0.6973 -0.0074 0.055 Uiso 1 1 calc R . .
C53 C 0.1141(3) 0.62009(13) -0.00088(19) 0.0401(8) Uani 1 1 d . . .
H53A H 0.0291 0.6229 -0.0180 0.048 Uiso 1 1 calc R . .
C54 C 0.1667(3) 0.57099(11) 0.01904(17) 0.0267(6) Uani 1 1 d . . .
H54A H 0.1173 0.5410 0.0144 0.032 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'
N N 0.0061 0.0033 '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
N1 Pd1 N2 86.77(8) . . ?
N1 Pd1 N4 93.74(8) . . ?
N2 Pd1 N4 179.41(8) . . ?
N1 Pd1 N3 176.45(8) . . ?
N2 Pd1 N3 93.13(8) . . ?
N4 Pd1 N3 86.35(8) . . ?
N5 Pd2 N5 180.00(10) . 3_665 ?
N5 Pd2 N6 85.92(8) . 3_665 ?
N5 Pd2 N6 94.08(8) 3_665 3_665 ?
N5 Pd2 N6 94.08(8) . . ?
N5 Pd2 N6 85.92(8) 3_665 . ?
N6 Pd2 N6 180.00(11) 3_665 . ?
C2 N1 C6 123.7(2) . . ?
C2 N1 Pd1 120.48(17) . . ?
C6 N1 Pd1 115.81(16) . . ?
C4 N2 C12 124.1(2) . . ?
C4 N2 Pd1 118.32(16) . . ?
C12 N2 Pd1 117.51(16) . . ?
C19 N3 C23 123.8(2) . . ?
C19 N3 Pd1 118.31(17) . . ?
C23 N3 Pd1 117.79(15) . . ?
C21 N4 C29 124.6(2) . . ?
C21 N4 Pd1 111.58(15) . . ?
C29 N4 Pd1 123.09(16) . . ?
C36 N5 C38 122.1(2) . . ?
C36 N5 Pd2 112.18(15) . . ?
C38 N5 Pd2 125.75(16) . . ?
C47 N6 C49 123.4(2) . . ?
C47 N6 Pd2 119.92(18) . . ?
C49 N6 Pd2 116.66(15) . . ?
N1 C2 C3 122.3(2) . . ?
N1 C2 C1 121.5(2) . . ?
C3 C2 C1 116.0(2) . . ?
C4 C3 C2 124.6(2) . . ?
N2 C4 C3 122.4(2) . . ?
N2 C4 C5 122.1(2) . . ?
C3 C4 C5 115.5(2) . . ?
C11 C6 C7 118.9(2) . . ?
C11 C6 N1 123.2(2) . . ?
C7 C6 N1 117.7(2) . . ?
C8 C7 C6 121.2(3) . . ?
C7 C8 C9 119.7(3) . . ?
C10 C9 C8 119.5(3) . . ?
C9 C10 C11 120.9(3) . . ?
C10 C11 C6 119.8(3) . . ?
C13 C12 C17 117.1(2) . . ?
C13 C12 N2 116.8(2) . . ?
C17 C12 N2 126.1(2) . . ?
C14 C13 C12 122.0(2) . . ?
C15 C14 C13 120.2(3) . . ?
C14 C15 C16 118.7(3) . . ?
C15 C16 C17 121.4(3) . . ?
C16 C17 C12 120.6(3) . . ?
N3 C19 C20 121.7(2) . . ?
N3 C19 C18 122.4(2) . . ?
C20 C19 C18 115.8(2) . . ?
C21 C20 C19 126.0(2) . . ?
N4 C21 C20 121.4(2) . . ?
N4 C21 C22 123.0(2) . . ?
C20 C21 C22 115.6(2) . . ?
C24 C23 C28 118.8(2) . . ?
C24 C23 N3 118.3(2) . . ?
C28 C23 N3 122.7(2) . . ?
C25 C24 C23 121.0(3) . . ?
C24 C25 C26 119.7(3) . . ?
C27 C26 C25 119.6(3) . . ?
C26 C27 C28 120.6(3) . . ?
C27 C28 C23 120.1(3) . . ?
C30 C29 C34 116.5(2) . . ?
C30 C29 N4 118.7(2) . . ?
C34 C29 N4 124.6(2) . . ?
C31 C30 C29 121.9(2) . . ?
C32 C31 C30 120.6(3) . . ?
C33 C32 C31 118.2(2) . . ?
C32 C33 C34 121.9(2) . . ?
C33 C34 C29 120.7(3) . . ?
N5 C36 C48 122.1(2) . 3_665 ?
N5 C36 C35 121.2(2) . . ?
C48 C36 C35 116.7(2) 3_665 . ?
N5 C38 C43 120.9(2) . . ?
N5 C38 C39 122.3(2) . . ?
C43 C38 C39 116.6(2) . . ?
C40 C39 C38 121.4(2) . . ?
C41 C40 C39 120.8(2) . . ?
C40 C41 C42 118.8(2) . . ?
C41 C42 C43 120.7(3) . . ?
C42 C43 C38 121.4(2) . . ?
N6 C47 C48 121.3(2) . . ?
N6 C47 C46 123.0(2) . . ?
C48 C47 C46 115.7(2) . . ?
C36 C48 C47 124.5(2) 3_665 . ?
C50 C49 C54 119.0(2) . . ?
C50 C49 N6 118.3(2) . . ?
C54 C49 N6 122.5(2) . . ?
C49 C50 C51 121.1(3) . . ?
C52 C51 C50 119.4(3) . . ?
C53 C52 C51 120.0(3) . . ?
C52 C53 C54 120.5(3) . . ?
C49 C54 C53 119.9(3) . . ?
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 N1 2.020(2) . ?
Pd1 N2 2.0294(19) . ?
Pd1 N4 2.0417(19) . ?
Pd1 N3 2.044(2) . ?
Pd2 N5 2.0321(18) . ?
Pd2 N5 2.0321(18) 3_665 ?
Pd2 N6 2.043(2) 3_665 ?
Pd2 N6 2.043(2) . ?
N1 C2 1.316(3) . ?
N1 C6 1.430(3) . ?
N2 C4 1.333(3) . ?
N2 C12 1.421(3) . ?
N3 C19 1.311(3) . ?
N3 C23 1.426(3) . ?
N4 C21 1.353(3) . ?
N4 C29 1.406(3) . ?
N5 C36 1.358(3) . ?
N5 C38 1.395(3) . ?
N6 C47 1.307(3) . ?
N6 C49 1.430(3) . ?
C1 C2 1.510(4) . ?
C2 C3 1.408(4) . ?
C3 C4 1.393(4) . ?
C4 C5 1.512(3) . ?
C6 C11 1.388(3) . ?
C6 C7 1.391(4) . ?
C7 C8 1.373(4) . ?
C8 C9 1.390(4) . ?
C9 C10 1.378(5) . ?
C10 C11 1.387(4) . ?
C12 C13 1.393(3) . ?
C12 C17 1.395(3) . ?
C13 C14 1.384(3) . ?
C14 C15 1.378(4) . ?
C15 C16 1.380(4) . ?
C16 C17 1.385(4) . ?
C18 C19 1.517(3) . ?
C19 C20 1.417(3) . ?
C20 C21 1.379(3) . ?
C21 C22 1.521(3) . ?
C23 C24 1.385(3) . ?
C23 C28 1.395(3) . ?
C24 C25 1.382(4) . ?
C25 C26 1.394(5) . ?
C26 C27 1.375(4) . ?
C27 C28 1.386(4) . ?
C29 C30 1.397(3) . ?
C29 C34 1.405(3) . ?
C30 C31 1.386(3) . ?
C31 C32 1.385(4) . ?
C32 C33 1.371(4) . ?
C33 C34 1.387(4) . ?
C35 C36 1.519(3) . ?
C36 C48 1.373(3) 3_665 ?
C38 C43 1.395(4) . ?
C38 C39 1.405(3) . ?
C39 C40 1.383(3) . ?
C40 C41 1.373(4) . ?
C41 C42 1.383(3) . ?
C42 C43 1.385(3) . ?
C46 C47 1.507(4) . ?
C47 C48 1.428(4) . ?
C48 C36 1.373(3) 3_665 ?
C49 C50 1.382(4) . ?
C49 C54 1.389(4) . ?
C50 C51 1.387(4) . ?
C51 C52 1.386(5) . ?
C52 C53 1.373(5) . ?
C53 C54 1.390(4) . ?
