#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:12:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179317 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/14/4321421.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_4321421
loop_
_publ_author_name
'Giannis S. Papaefstathiou'
'Catherine P. Raptopoulou'
'Alexandros Tsohos'
'Aris Terzis'
'Evangelos G. Bakalbassis'
'Spyros P. Perlepes'
_publ_section_title
;
 Alcoholysis of 2,2'-Pyridil, (2-C5H4N)C(O)C(O)(2-C5H4N), in the Presence
 of Copper(II): A Family of Planar Pentanuclear Copper(II) Complexes
 Stabilized by [(2-C5H4N)C(O)(OR)C(O)(OR)(2-C5H4N)]2- and Carboxylate
 Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4658
_journal_page_last               4662
_journal_paper_doi               10.1021/ic991169k
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C72 H90 Cu5 N4 O22'
_chemical_formula_weight         1681.24
_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
_cell_angle_alpha                111.29(1)
_cell_angle_beta                 92.93(1)
_cell_angle_gamma                114.33(1)
_cell_formula_units_Z            1
_cell_length_a                   12.488(5)
_cell_length_b                   12.200(5)
_cell_length_c                   15.373(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      11.6
_cell_measurement_theta_min      5.4
_cell_volume                     1932.1(14)
_computing_cell_refinement
'Program LEAST (UCLA Crystallographic package, C.E.Strouse, 1994)'
_computing_data_collection
'Program COLLECT (UCLA Crystallographic package, C.E.Strouse, 1994)'
_computing_data_reduction
'Program REDUCE (UCLA Crystallographic package, C.E.Strouse, 1994)'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device
'Crystal Logic Dual Goniometer diffractometer'
_diffrn_measurement_method       'theta-2theta 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  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7161
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        2.9
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.427
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      1.42
_exptl_crystal_density_method    'floating method'
_exptl_crystal_description       parallelipiped
_exptl_crystal_F_000             871
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.458
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.159
_refine_ls_goodness_of_fit_obs   1.221
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         6651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.180
_refine_ls_restrained_S_obs      1.221
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_obs          0.0458
_refine_ls_shift/esd_max         0.738
_refine_ls_shift/esd_mean        0.031
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0000P)²+2.4010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1077
_refine_ls_wR_factor_obs         0.0966
_reflns_number_observed          5258
_reflns_number_total             6807
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic991169k_3.cif
_cod_data_source_block           shel93
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+2.4010P] 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^)+(0.0000P)^2^+2.4010P] 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        1932.1(1)
_cod_database_code               4321421
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cu1 Cu 0.0000 0.5000 0.5000 0.0284(2) Uani 1 d S .
Cu2 Cu 0.27106(4) 0.73434(4) 0.53944(3) 0.03149(13) Uani 1 d . .
Cu3 Cu -0.07647(4) 0.21542(4) 0.32617(3) 0.03297(13) Uani 1 d . .
N1 N 0.3417(3) 0.6967(3) 0.4252(2) 0.0338(7) Uani 1 d . .
O1 O 0.1197(2) 0.5895(2) 0.4403(2) 0.0286(6) Uani 1 d . .
O2 O 0.0586(2) 0.4130(2) 0.2892(2) 0.0333(6) Uani 1 d . .
N2 N 0.0629(3) 0.1791(3) 0.3018(2) 0.0356(8) Uani 1 d . .
O3 O 0.0448(2) 0.3580(2) 0.4472(2) 0.0291(6) Uani 1 d . .
O4 O 0.2547(2) 0.4871(3) 0.5008(2) 0.0341(6) Uani 1 d . .
O5 O -0.1877(3) 0.2822(3) 0.3614(2) 0.0376(7) Uani 1 d . .
O6 O 0.4284(2) 0.8729(3) 0.6219(2) 0.0462(8) Uani 1 d . .
O7 O 0.4114(3) 0.8487(4) 0.7582(3) 0.0677(10) Uani 1 d . .
O8 O -0.1806(3) 0.0773(3) 0.2032(2) 0.0473(8) Uani 1 d . .
O9 O -0.2682(3) -0.0615(3) 0.2692(2) 0.0614(9) Uani 1 d . .
O10 O 0.2397(4) 0.9163(4) 0.5393(3) 0.0716(11) Uani 1 d . .
C1 C 0.4487(4) 0.7719(5) 0.4136(3) 0.0449(11) Uani 1 d . .
C2 C 0.4866(4) 0.7295(5) 0.3309(4) 0.0565(13) Uani 1 d . .
C3 C 0.4131(5) 0.6061(5) 0.2589(4) 0.0577(14) Uani 1 d . .
C4 C 0.3041(4) 0.5286(5) 0.2706(3) 0.0464(11) Uani 1 d . .
C5 C 0.2691(3) 0.5759(4) 0.3543(3) 0.0321(8) Uani 1 d . .
C6 C 0.1508(3) 0.5007(4) 0.3758(3) 0.0288(8) Uani 1 d . .
C7 C 0.1679(3) 0.2882(4) 0.3530(3) 0.0338(9) Uani 1 d . .
C8 C 0.2771(4) 0.2898(5) 0.3418(4) 0.0485(11) Uani 1 d . .
C9 C 0.2791(5) 0.1775(5) 0.2775(4) 0.0593(14) Uani 1 d . .
C10 C 0.1709(5) 0.0664(5) 0.2258(4) 0.0582(14) Uani 1 d . .
C11 C 0.0653(5) 0.0702(5) 0.2390(3) 0.0488(11) Uani 1 d . .
C12 C 0.1539(3) 0.4051(4) 0.4211(3) 0.0295(8) Uani 1 d . .
C13 C 0.0079(6) 0.4733(5) 0.2474(4) 0.0587(15) Uani 1 d . .
C14 C -0.0977(7) 0.3711(7) 0.1685(5) 0.072(2) Uani 1 d . .
C15 C 0.2569(5) 0.4360(6) 0.5714(4) 0.0516(12) Uani 1 d . .
C16 C 0.3774(7) 0.5141(10) 0.6358(7) 0.093(3) Uani 1 d . .
C21 C 0.4637(4) 0.9075(4) 0.7110(3) 0.0409(10) Uani 1 d . .
C22 C 0.5818(4) 1.0337(4) 0.7607(3) 0.0454(11) Uani 1 d . .
C23 C 0.6556(5) 1.0903(5) 0.7099(4) 0.0592(14) Uani 1 d . .
C24 C 0.7645(5) 1.2046(6) 0.7563(6) 0.081(2) Uani 1 d . .
C25 C 0.7986(6) 1.2639(6) 0.8536(7) 0.093(3) Uani 1 d . .
C26 C 0.7268(7) 1.2116(8) 0.9051(6) 0.088(2) Uani 1 d . .
C27 C 0.6160(5) 1.0934(6) 0.8600(4) 0.066(2) Uani 1 d . .
C28 C -0.2603(4) -0.0324(4) 0.2006(3) 0.0396(10) Uani 1 d . .
C29 C -0.3463(4) -0.1286(4) 0.1047(3) 0.0425(10) Uani 1 d . .
C30 C -0.4245(5) -0.2559(5) 0.0899(4) 0.067(2) Uani 1 d . .
C31 C -0.5066(6) -0.3449(6) 0.0051(5) 0.091(2) Uani 1 d . .
C32 C -0.5138(7) -0.3089(7) -0.0674(5) 0.101(3) Uani 1 d . .
C33 C -0.4382(7) -0.1828(8) -0.0554(4) 0.098(3) Uani 1 d . .
C34 C -0.3547(6) -0.0935(6) 0.0300(4) 0.070(2) Uani 1 d . .
C35 C 0.1363(7) 0.9111(8) 0.4909(6) 0.080(2) Uani 1 d . .
C36 C 0.1655(7) 1.0352(8) 0.4818(6) 0.101(2) Uani 1 d . .
H36A H 0.0954(14) 1.0268(18) 0.4457(29) 0.138(17) Uiso 1 calc R .
H36B H 0.2298(30) 1.0535(26) 0.4491(31) 0.138(17) Uiso 1 calc R .
H36C H 0.1906(41) 1.1065(11) 0.5445(6) 0.138(17) Uiso 1 calc R .
O11 O 0.1100(4) 0.2452(4) 0.9024(3) 0.0858(13) Uani 1 d . .
C37 C 0.1283(8) 0.2817(9) 0.7618(6) 0.123(3) Uani 1 d . .
H37A H 0.1587(51) 0.3517(10) 0.7409(6) 0.181(24) Uiso 1 calc R .
H37B H 0.0421(9) 0.2316(52) 0.7380(6) 0.181(24) Uiso 1 calc R .
H37C H 0.1646(49) 0.2245(51) 0.7376(7) 0.181(24) Uiso 1 calc R .
C38 C 0.1581(8) 0.3388(8) 0.8668(6) 0.104(2) Uani 1 d . .
H38A H 0.2453(8) 0.3853(8) 0.8903(6) 0.184(30) Uiso 1 calc R .
H38B H 0.1281(8) 0.4033(8) 0.8909(6) 0.184(30) Uiso 1 calc R .
C39 C 0.1392(12) 0.2914(9) 1.0022(6) 0.110(3) Uani 1 d . .
C40 C 0.0850(16) 0.1853(11) 1.0319(8) 0.133(4) Uani 1 d . .
HO5 H 0.2333(41) 0.7440(46) 0.6781(32) 0.038(15) Uiso 1 d . .
H1 H 0.4914(36) 0.8464(41) 0.4605(28) 0.031(11) Uiso 1 d . .
H2 H 0.5572(44) 0.7766(48) 0.3239(34) 0.056(14) Uiso 1 d . .
H3 H 0.4390(41) 0.5718(46) 0.2056(34) 0.052(13) Uiso 1 d . .
H4 H 0.2561(40) 0.4461(46) 0.2245(32) 0.045(13) Uiso 1 d . .
H8 H 0.3416(45) 0.3647(51) 0.3787(36) 0.062(16) Uiso 1 d . .
H9 H 0.3528(43) 0.1772(46) 0.2670(33) 0.056(14) Uiso 1 d . .
H10 H 0.1682(45) -0.0065(53) 0.1820(36) 0.063(16) Uiso 1 d . .
H11 H -0.0105(36) 0.0021(40) 0.2081(28) 0.029(10) Uiso 1 d . .
H13A H 0.0641(58) 0.5222(67) 0.2299(46) 0.094(24) Uiso 1 d . .
H13B H -0.0083(51) 0.5363(61) 0.2943(42) 0.079(20) Uiso 1 d . .
H14A H -0.1259(47) 0.4080(53) 0.1399(38) 0.065(17) Uiso 1 d . .
H14B H -0.1554(78) 0.3181(91) 0.1918(62) 0.158(37) Uiso 1 d . .
H14C H -0.0782(65) 0.3132(78) 0.1201(53) 0.119(30) Uiso 1 d . .
H15A H 0.2281(48) 0.3447(58) 0.5387(38) 0.071(17) Uiso 1 d . .
H15B H 0.1999(51) 0.4493(56) 0.6075(40) 0.077(19) Uiso 1 d . .
H16A H 0.3783(50) 0.4749(56) 0.6765(42) 0.073(18) Uiso 1 d . .
H16B H 0.4139(76) 0.5996(87) 0.6616(59) 0.137(35) Uiso 1 d . .
H16C H 0.4149(84) 0.4725(97) 0.5952(66) 0.161(49) Uiso 1 d . .
H23 H 0.6328(53) 1.0528(61) 0.6389(44) 0.091(20) Uiso 1 d . .
H24 H 0.8129(66) 1.2500(77) 0.7162(52) 0.127(28) Uiso 1 d . .
H25 H 0.8671(71) 1.3421(80) 0.8934(55) 0.131(28) Uiso 1 d . .
H26 H 0.7258(60) 1.2165(68) 0.9611(47) 0.095(25) Uiso 1 d . .
H27 H 0.5683(41) 1.0517(46) 0.8982(32) 0.047(14) Uiso 1 d . .
H30 H -0.4124(45) -0.2715(51) 0.1374(36) 0.057(16) Uiso 1 d . .
H31 H -0.5574(57) -0.4308(66) -0.0025(45) 0.098(21) Uiso 1 d . .
H32 H -0.5674(60) -0.3702(69) -0.1223(49) 0.107(23) Uiso 1 d . .
H33 H -0.4444(58) -0.1619(66) -0.1023(47) 0.093(22) Uiso 1 d . .
H34 H -0.3024(41) -0.0117(48) 0.0405(32) 0.048(13) Uiso 1 d . .
H35A H 0.1013(62) 0.8379(71) 0.4324(52) 0.105(26) Uiso 1 d . .
H35B H 0.0966(71) 0.9138(81) 0.5341(58) 0.140(34) Uiso 1 d . .
H39A H 0.1175(77) 0.3642(91) 1.0294(61) 0.144(35) Uiso 1 d . .
H39B H 0.2311(86) 0.3293(97) 1.0175(67) 0.165(43) Uiso 1 d . .
H40A H 0.1111(89) 0.1283(99) 1.0027(69) 0.154(45) Uiso 1 d . .
H40B H -0.0149(103) 0.1524(113) 1.0061(81) 0.202(58) Uiso 1 d . .
H40C H 0.0849(100) 0.2156(112) 1.1023(84) 0.207(49) Uiso 1 d . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
O1 Cu1 O1 180.0 2_566 . ?
O1 Cu1 O3 95.10(11) 2_566 . ?
O1 Cu1 O3 84.91(10) . . ?
O1 Cu1 O3 84.91(10) 2_566 2_566 ?
O1 Cu1 O3 95.09(10) . 2_566 ?
O3 Cu1 O3 180.0 . 2_566 ?
O5 Cu2 O6 97.63(13) 2_566 . ?
O5 Cu2 N1 163.67(14) 2_566 . ?
O6 Cu2 N1 91.54(13) . . ?
O5 Cu2 O1 89.71(12) 2_566 . ?
O6 Cu2 O1 172.55(11) . . ?
N1 Cu2 O1 81.03(12) . . ?
O5 Cu2 O10 94.03(14) 2_566 . ?
O6 Cu2 O10 84.34(14) . . ?
N1 Cu2 O10 100.32(14) . . ?
O1 Cu2 O10 96.43(12) . . ?
O5 Cu3 O8 95.11(13) . . ?
O5 Cu3 N2 169.68(13) . . ?
O8 Cu3 N2 93.39(13) . . ?
O5 Cu3 O3 89.90(12) . . ?
O8 Cu3 O3 174.32(11) . . ?
N2 Cu3 O3 81.36(12) . . ?
C1 N1 C5 119.3(4) . . ?
C1 N1 Cu2 128.8(3) . . ?
C5 N1 Cu2 111.9(2) . . ?
C6 O1 Cu1 110.1(2) . . ?
C6 O1 Cu2 107.4(2) . . ?
Cu1 O1 Cu2 110.65(12) . . ?
C6 O2 C13 116.0(3) . . ?
C11 N2 C7 119.1(4) . . ?
C11 N2 Cu3 130.0(3) . . ?
C7 N2 Cu3 110.8(3) . . ?
C12 O3 Cu1 109.8(2) . . ?
C12 O3 Cu3 105.7(2) . . ?
Cu1 O3 Cu3 109.61(12) . . ?
C12 O4 C15 115.1(3) . . ?
Cu3 O5 Cu2 124.8(2) . 2_566 ?
C21 O6 Cu2 126.5(3) . . ?
C28 O8 Cu3 118.4(3) . . ?
C35 O10 Cu2 128.2(4) . . ?
N1 C1 C2 121.8(4) . . ?
C3 C2 C1 119.0(4) . . ?
C4 C3 C2 119.4(5) . . ?
C3 C4 C5 119.6(4) . . ?
N1 C5 C4 120.8(4) . . ?
N1 C5 C6 114.3(3) . . ?
C4 C5 C6 124.8(4) . . ?
O1 C6 O2 112.3(3) . . ?
O1 C6 C5 109.6(3) . . ?
O2 C6 C5 110.6(3) . . ?
O1 C6 C12 106.9(3) . . ?
O2 C6 C12 103.2(3) . . ?
C5 C6 C12 114.2(3) . . ?
N2 C7 C8 121.1(4) . . ?
N2 C7 C12 114.4(3) . . ?
C8 C7 C12 124.5(4) . . ?
C7 C8 C9 119.6(5) . . ?
C10 C9 C8 118.7(5) . . ?
C11 C10 C9 119.5(5) . . ?
N2 C11 C10 122.1(5) . . ?
O3 C12 O4 113.1(3) . . ?
O3 C12 C7 109.0(3) . . ?
O4 C12 C7 110.4(3) . . ?
O3 C12 C6 106.4(3) . . ?
O4 C12 C6 104.2(3) . . ?
C7 C12 C6 113.7(3) . . ?
O2 C13 C14 110.2(5) . . ?
O4 C15 C16 108.3(5) . . ?
O7 C21 O6 126.2(4) . . ?
O7 C21 C22 119.0(4) . . ?
O6 C21 C22 114.8(4) . . ?
C23 C22 C27 119.2(5) . . ?
C23 C22 C21 121.7(4) . . ?
C27 C22 C21 119.0(5) . . ?
C22 C23 C24 121.1(6) . . ?
C25 C24 C23 120.1(7) . . ?
C26 C25 C24 119.9(6) . . ?
C25 C26 C27 121.5(7) . . ?
C22 C27 C26 118.1(7) . . ?
O9 C28 O8 124.5(4) . . ?
O9 C28 C29 120.3(4) . . ?
O8 C28 C29 115.1(4) . . ?
C30 C29 C34 117.3(5) . . ?
C30 C29 C28 120.0(4) . . ?
C34 C29 C28 122.6(4) . . ?
C31 C30 C29 121.9(6) . . ?
C32 C31 C30 120.1(6) . . ?
C31 C32 C33 119.8(6) . . ?
C32 C33 C34 120.0(7) . . ?
C33 C34 C29 120.9(6) . . ?
O10 C35 C36 111.4(6) . . ?
C38 O11 C39 116.3(6) . . ?
O11 C38 C37 112.9(7) . . ?
O11 C39 C40 111.8(8) . . ?
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
Cu1 O1 1.947(2) 2_566 ?
Cu1 O1 1.947(2) . ?
Cu1 O3 1.949(3) . ?
Cu1 O3 1.949(3) 2_566 ?
Cu2 O5 1.913(3) 2_566 ?
Cu2 O6 1.943(3) . ?
Cu2 N1 1.996(3) . ?
Cu2 O1 2.004(2) . ?
Cu2 O10 2.408(4) . ?
Cu3 O5 1.891(3) . ?
Cu3 O8 1.932(3) . ?
Cu3 N2 1.986(3) . ?
Cu3 O3 1.993(2) . ?
N1 C1 1.338(5) . ?
N1 C5 1.347(5) . ?
O1 C6 1.384(4) . ?
O2 C6 1.427(4) . ?
O2 C13 1.428(6) . ?
N2 C11 1.343(5) . ?
N2 C7 1.344(5) . ?
O3 C12 1.388(4) . ?
O4 C12 1.415(4) . ?
O4 C15 1.438(5) . ?
O5 Cu2 1.913(3) 2_566 ?
O6 C21 1.270(5) . ?
O7 C21 1.228(5) . ?
O8 C28 1.282(5) . ?
O9 C28 1.226(5) . ?
O10 C35 1.423(7) . ?
C1 C2 1.375(7) . ?
C2 C3 1.372(7) . ?
C3 C4 1.367(6) . ?
C4 C5 1.380(6) . ?
C5 C6 1.512(5) . ?
C6 C12 1.572(5) . ?
C7 C8 1.376(6) . ?
C7 C12 1.518(5) . ?
C8 C9 1.379(7) . ?
C9 C10 1.376(7) . ?
C10 C11 1.361(7) . ?
C13 C14 1.466(7) . ?
C15 C16 1.461(8) . ?
C21 C22 1.513(6) . ?
C22 C23 1.370(7) . ?
C22 C27 1.383(7) . ?
C23 C24 1.385(7) . ?
C24 C25 1.356(11) . ?
C25 C26 1.343(11) . ?
C26 C27 1.417(9) . ?
C28 C29 1.499(5) . ?
C29 C30 1.375(7) . ?
C29 C34 1.375(7) . ?
C30 C31 1.360(8) . ?
C31 C32 1.350(10) . ?
C32 C33 1.368(10) . ?
C33 C34 1.372(8) . ?
C35 C36 1.466(9) . ?
O11 C38 1.373(8) . ?
O11 C39 1.396(9) . ?
C37 C38 1.463(10) . ?
C39 C40 1.443(13) . ?
