#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:35:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179147 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/08/4310864.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_4310864
loop_
_publ_author_name
'John H. Thurston'
'Christopher G.-Z. Tang'
'Daniel W. Trahan'
'Kenton H. Whitmire'
_publ_contact_author
;
      Kenton H. Whitmire
      Department of Chemistry MS-60
      Rice University
      1600 Main St. 
      Houtson Tx. 77005
      United States of America
;
_publ_contact_author_email       whitmir@rice.edu
_publ_contact_author_fax         '713 737 5652'
_publ_contact_author_phone       '713 737 5650'
_publ_section_title
;
 Toward Rational Control of Metal Stoichiometry in Heterobimetallic
 Coordination Complexes: Synthesis and Characterization of
 Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3),
 Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2708
_journal_page_last               2713
_journal_paper_doi               10.1021/ic035427w
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C36 H36 Cu2 N5 O12 Pb'
_chemical_formula_weight         1064.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.868(5)
_cell_length_b                   15.543(3)
_cell_length_c                   23.434(5)
_cell_measurement_reflns_used    8560
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      44.763
_cell_measurement_theta_min      4.416
_cell_volume                     8329(3)
_computing_cell_refinement       'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_data_collection       'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_data_reduction        'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_molecular_graphics    'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_publication_material  'SHELXTL 6.10 (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1000, ccd'
_diffrn_measurement_method       '2 theta, omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34605
_diffrn_reflns_theta_full        23.29
_diffrn_reflns_theta_max         23.29
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    5.108
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.711774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            burgundy
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             4184
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.428
_refine_diff_density_min         -0.733
_refine_diff_density_rms         0.262
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         5989
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1570P)²+16.4203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2004
_refine_ls_wR_factor_ref         0.2278
_reflns_number_gt                4171
_reflns_number_total             5989
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035427wsi20040129_114253_3.cif
_cod_data_source_block           compound2
_cod_database_code               4310864
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.34245(2) 0.32330(3) 0.17910(2) 0.0546(3) Uani 1 1 d . . .
Cu1 Cu 0.21367(7) 0.19729(10) 0.17211(6) 0.0523(4) Uani 1 1 d . . .
Cu2 Cu 0.22465(6) 0.46060(9) 0.15092(6) 0.0512(4) Uani 1 1 d . . .
O11 O 0.2497(3) 0.3897(6) 0.2118(3) 0.054(2) Uani 1 1 d . . .
O12 O 0.3048(3) 0.4614(5) 0.1280(3) 0.0514(19) Uani 1 1 d . . .
O13 O 0.3031(5) 0.3193(5) 0.2975(4) 0.063(2) Uani 1 1 d . . .
O14 O 0.4160(4) 0.4467(7) 0.1115(4) 0.077(3) Uani 1 1 d . . .
O21 O 0.2872(4) 0.1805(5) 0.2071(3) 0.057(2) Uani 1 1 d . . .
O22 O 0.2563(4) 0.2609(6) 0.1160(3) 0.063(2) Uani 1 1 d . . .
O23 O 0.3951(4) 0.1705(6) 0.2415(5) 0.078(3) Uani 1 1 d . . .
O24 O 0.3314(5) 0.3099(7) 0.0402(4) 0.079(3) Uani 1 1 d . . .
O101 O 0.3920(5) 0.4312(7) 0.2522(5) 0.093(3) Uani 1 1 d . . .
O102 O 0.4644(6) 0.3548(9) 0.2261(6) 0.122(5) Uani 1 1 d . . .
O103 O 0.4781(6) 0.4658(9) 0.2779(7) 0.135(5) Uani 1 1 d . . .
N11 N 0.1434(5) 0.4533(8) 0.1698(5) 0.061(3) Uani 1 1 d . . .
N12 N 0.2000(5) 0.5385(7) 0.0928(5) 0.065(3) Uani 1 1 d . . .
N21 N 0.1697(5) 0.1300(7) 0.2253(5) 0.067(3) Uani 1 1 d . . .
N22 N 0.1388(5) 0.2230(7) 0.1398(4) 0.060(3) Uani 1 1 d . . .
N100 N 0.4454(7) 0.4159(9) 0.2532(6) 0.088(4) Uani 1 1 d . . .
C11 C 0.2150(6) 0.3604(8) 0.2546(5) 0.053(3) Uani 1 1 d . . .
C12 C 0.2441(6) 0.3202(7) 0.3011(5) 0.051(3) Uani 1 1 d . . .
C13 C 0.2120(7) 0.2854(9) 0.3460(5) 0.067(4) Uani 1 1 d . . .
H13A H 0.2312 0.2577 0.3758 0.080 Uiso 1 1 calc R . .
C14 C 0.1506(8) 0.2920(11) 0.3464(7) 0.081(5) Uani 1 1 d . . .
H14A H 0.1290 0.2684 0.3761 0.098 Uiso 1 1 calc R . .
C15 C 0.1237(7) 0.3328(9) 0.3033(7) 0.070(4) Uani 1 1 d . . .
H15A H 0.0831 0.3374 0.3040 0.083 Uiso 1 1 calc R . .
C16 C 0.1548(6) 0.3691(8) 0.2566(6) 0.059(3) Uani 1 1 d . . .
C17 C 0.1223(6) 0.4154(9) 0.2131(6) 0.070(4) Uani 1 1 d . . .
H17A H 0.0819 0.4174 0.2174 0.084 Uiso 1 1 calc R . .
C18 C 0.1054(7) 0.4953(12) 0.1283(7) 0.091(5) Uani 1 1 d . . .
H18A H 0.0715 0.5191 0.1474 0.109 Uiso 1 1 calc R . .
H18B H 0.0920 0.4536 0.1004 0.109 Uiso 1 1 calc R . .
C19 C 0.1388(8) 0.5656(13) 0.0990(8) 0.104(6) Uani 1 1 d . . .
H19A H 0.1220 0.5770 0.0618 0.125 Uiso 1 1 calc R . .
H19B H 0.1368 0.6181 0.1214 0.125 Uiso 1 1 calc R . .
C21 C 0.2978(6) 0.1320(7) 0.2546(5) 0.057(3) Uani 1 1 d . . .
C22 C 0.3566(7) 0.1256(9) 0.2735(6) 0.065(4) Uani 1 1 d . . .
C23 C 0.3705(9) 0.0779(10) 0.3214(6) 0.081(5) Uani 1 1 d . . .
H23A H 0.4091 0.0740 0.3334 0.097 Uiso 1 1 calc R . .
C24 C 0.3265(9) 0.0357(10) 0.3517(6) 0.081(5) Uani 1 1 d . . .
H24A H 0.3363 0.0038 0.3839 0.097 Uiso 1 1 calc R . .
C25 C 0.2692(9) 0.0406(8) 0.3347(6) 0.080(5) Uani 1 1 d . . .
H25A H 0.2405 0.0126 0.3558 0.096 Uiso 1 1 calc R . .
C26 C 0.2533(7) 0.0877(8) 0.2855(6) 0.064(4) Uani 1 1 d . . .
C27 C 0.1915(7) 0.0905(8) 0.2693(6) 0.070(4) Uani 1 1 d . . .
H27A H 0.1654 0.0612 0.2927 0.084 Uiso 1 1 calc R . .
C28 C 0.1071(7) 0.1216(11) 0.2124(7) 0.085(5) Uani 1 1 d . . .
H28A H 0.0997 0.0665 0.1944 0.102 Uiso 1 1 calc R . .
H28B H 0.0846 0.1244 0.2474 0.102 Uiso 1 1 calc R . .
C29 C 0.0897(7) 0.1912(10) 0.1742(6) 0.074(4) Uani 1 1 d . . .
H29A H 0.0739 0.2383 0.1966 0.089 Uiso 1 1 calc R . .
H29B H 0.0590 0.1709 0.1490 0.089 Uiso 1 1 calc R . .
C110 C 0.2322(8) 0.5700(9) 0.0545(6) 0.081(5) Uani 1 1 d . . .
H11A H 0.2139 0.6067 0.0287 0.097 Uiso 1 1 calc R . .
C111 C 0.2937(7) 0.5561(8) 0.0458(5) 0.062(3) Uani 1 1 d . . .
C112 C 0.3243(8) 0.6004(9) 0.0023(6) 0.078(4) Uani 1 1 d . . .
H11B H 0.3030 0.6345 -0.0228 0.093 Uiso 1 1 calc R . .
C113 C 0.3824(8) 0.5957(11) -0.0048(7) 0.087(5) Uani 1 1 d . . .
H11C H 0.4007 0.6258 -0.0340 0.105 Uiso 1 1 calc R . .
C114 C 0.4133(8) 0.5473(9) 0.0310(6) 0.080(4) Uani 1 1 d . . .
H11D H 0.4536 0.5447 0.0262 0.096 Uiso 1 1 calc R . .
C115 C 0.3883(6) 0.5005(9) 0.0750(5) 0.065(4) Uani 1 1 d . . .
C116 C 0.3275(6) 0.5041(8) 0.0840(5) 0.057(3) Uani 1 1 d . . .
C117 C 0.3355(7) 0.3046(11) 0.3486(7) 0.080(5) Uani 1 1 d . . .
H11E H 0.3766 0.3051 0.3401 0.120 Uiso 1 1 calc R . .
H11F H 0.3249 0.2497 0.3643 0.120 Uiso 1 1 calc R . .
H11G H 0.3268 0.3490 0.3757 0.120 Uiso 1 1 calc R . .
C118 C 0.4804(7) 0.4363(17) 0.1046(8) 0.143(9) Uani 1 1 d . . .
H11H H 0.4949 0.3979 0.1334 0.215 Uiso 1 1 calc R . .
H11I H 0.4991 0.4913 0.1085 0.215 Uiso 1 1 calc R . .
H11J H 0.4886 0.4131 0.0676 0.215 Uiso 1 1 calc R . .
C210 C 0.1313(7) 0.2654(9) 0.0921(6) 0.073(4) Uani 1 1 d . . .
H21A H 0.0927 0.2741 0.0811 0.088 Uiso 1 1 calc R . .
C211 C 0.1740(6) 0.2996(9) 0.0555(5) 0.056(3) Uani 1 1 d . . .
C212 C 0.1572(7) 0.3363(10) 0.0053(6) 0.070(4) Uani 1 1 d . . .
H21B H 0.1173 0.3405 -0.0023 0.084 Uiso 1 1 calc R . .
C213 C 0.1948(8) 0.3668(11) -0.0343(6) 0.081(4) Uani 1 1 d . . .
H21C H 0.1811 0.3934 -0.0672 0.097 Uiso 1 1 calc R . .
C214 C 0.2541(8) 0.3578(9) -0.0247(5) 0.073(4) Uani 1 1 d . . .
H21D H 0.2810 0.3755 -0.0521 0.087 Uiso 1 1 calc R . .
C215 C 0.2728(6) 0.3223(8) 0.0257(6) 0.060(4) Uani 1 1 d . . .
C216 C 0.2331(6) 0.2923(8) 0.0686(5) 0.052(3) Uani 1 1 d . . .
C217 C 0.4532(8) 0.1602(11) 0.2551(9) 0.109(6) Uani 1 1 d . . .
H21E H 0.4767 0.1947 0.2301 0.163 Uiso 1 1 calc R . .
H21F H 0.4638 0.1008 0.2510 0.163 Uiso 1 1 calc R . .
H21G H 0.4595 0.1780 0.2939 0.163 Uiso 1 1 calc R . .
C218 C 0.3756(10) 0.3212(12) -0.0033(7) 0.112(7) Uani 1 1 d . . .
H21H H 0.4135 0.3113 0.0130 0.168 Uiso 1 1 calc R . .
H21I H 0.3736 0.3787 -0.0180 0.168 Uiso 1 1 calc R . .
H21J H 0.3689 0.2809 -0.0336 0.168 Uiso 1 1 calc R . .
O100 O 0.4193(11) 0.5326(14) 0.3786(11) 0.233(10) Uiso 1 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'
Pb Pb -3.3944 10.1111 '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
O11 Pb1 O12 61.1(2) . . ?
O11 Pb1 O21 82.2(3) . . ?
O12 Pb1 O21 130.5(3) . . ?
O11 Pb1 O22 71.8(3) . . ?
O12 Pb1 O22 78.4(3) . . ?
O21 Pb1 O22 58.3(3) . . ?
O11 Pb1 O101 84.4(3) . . ?
O12 Pb1 O101 85.2(3) . . ?
O21 Pb1 O101 125.2(3) . . ?
O22 Pb1 O101 155.6(3) . . ?
O21 Cu1 O22 85.2(3) . . ?
O21 Cu1 N21 96.3(4) . . ?
O22 Cu1 N21 177.1(4) . . ?
O21 Cu1 N22 175.4(4) . . ?
O22 Cu1 N22 94.4(4) . . ?
N21 Cu1 N22 84.3(5) . . ?
O11 Cu2 N12 176.2(4) . . ?
O11 Cu2 O12 85.7(3) . . ?
N12 Cu2 O12 94.5(4) . . ?
O11 Cu2 N11 94.9(4) . . ?
N12 Cu2 N11 85.2(5) . . ?
O12 Cu2 N11 175.8(4) . . ?
C11 O11 Cu2 125.2(8) . . ?
C11 O11 Pb1 126.0(7) . . ?
Cu2 O11 Pb1 105.6(3) . . ?
C116 O12 Cu2 126.4(8) . . ?
C116 O12 Pb1 129.7(7) . . ?
Cu2 O12 Pb1 100.5(3) . . ?
C12 O13 C117 117.9(11) . . ?
C115 O14 C118 117.4(12) . . ?
C21 O21 Cu1 126.1(8) . . ?
C21 O21 Pb1 125.6(7) . . ?
Cu1 O21 Pb1 101.7(3) . . ?
C216 O22 Cu1 124.3(8) . . ?
C216 O22 Pb1 129.1(7) . . ?
Cu1 O22 Pb1 100.7(3) . . ?
C22 O23 C217 116.1(13) . . ?
C215 O24 C218 118.9(13) . . ?
N100 O101 Pb1 108.1(9) . . ?
C17 N11 C18 120.9(13) . . ?
C17 N11 Cu2 125.6(10) . . ?
C18 N11 Cu2 113.5(10) . . ?
C110 N12 C19 121.1(13) . . ?
C110 N12 Cu2 125.6(11) . . ?
C19 N12 Cu2 113.1(10) . . ?
C27 N21 C28 119.7(12) . . ?
C27 N21 Cu1 125.0(11) . . ?
C28 N21 Cu1 115.3(9) . . ?
C210 N22 C29 122.5(12) . . ?
C210 N22 Cu1 124.1(10) . . ?
C29 N22 Cu1 113.4(9) . . ?
O103 N100 O102 121.4(18) . . ?
O103 N100 O101 119.2(15) . . ?
O102 N100 O101 119.2(16) . . ?
O11 C11 C16 125.0(12) . . ?
O11 C11 C12 116.2(11) . . ?
C16 C11 C12 118.8(11) . . ?
O13 C12 C13 124.7(12) . . ?
O13 C12 C11 115.1(11) . . ?
C13 C12 C11 120.2(13) . . ?
C12 C13 C14 120.2(14) . . ?
C15 C14 C13 119.2(14) . . ?
C14 C15 C16 122.5(15) . . ?
C11 C16 C15 119.0(13) . . ?
C11 C16 C17 122.2(12) . . ?
C15 C16 C17 118.7(13) . . ?
N11 C17 C16 126.6(13) . . ?
N11 C18 C19 109.1(13) . . ?
N12 C19 C18 108.7(13) . . ?
O21 C21 C22 117.5(12) . . ?
O21 C21 C26 123.6(13) . . ?
C22 C21 C26 119.0(12) . . ?
O23 C22 C23 125.3(15) . . ?
O23 C22 C21 114.1(12) . . ?
C23 C22 C21 120.6(16) . . ?
C22 C23 C24 120.0(17) . . ?
C25 C24 C23 121.0(14) . . ?
C24 C25 C26 120.6(16) . . ?
C25 C26 C21 118.8(14) . . ?
C25 C26 C27 118.3(14) . . ?
C21 C26 C27 122.9(12) . . ?
N21 C27 C26 126.2(13) . . ?
C29 C28 N21 109.1(12) . . ?
C28 C29 N22 112.1(13) . . ?
N12 C110 C111 127.9(14) . . ?
C112 C111 C116 117.3(14) . . ?
C112 C111 C110 120.9(13) . . ?
C116 C111 C110 121.6(13) . . ?
C113 C112 C111 123.6(14) . . ?
C114 C113 C112 118.6(14) . . ?
C113 C114 C115 123.2(16) . . ?
O14 C115 C114 127.1(14) . . ?
O14 C115 C116 113.0(11) . . ?
C114 C115 C116 119.8(14) . . ?
O12 C116 C115 118.7(12) . . ?
O12 C116 C111 123.8(13) . . ?
C115 C116 C111 117.5(12) . . ?
N22 C210 C211 128.4(13) . . ?
C212 C211 C216 119.8(13) . . ?
C212 C211 C210 119.3(13) . . ?
C216 C211 C210 120.8(12) . . ?
C213 C212 C211 124.0(14) . . ?
C212 C213 C214 118.6(13) . . ?
C215 C214 C213 119.1(14) . . ?
C214 C215 O24 124.3(14) . . ?
C214 C215 C216 122.4(13) . . ?
O24 C215 C216 113.2(12) . . ?
O22 C216 C211 127.1(12) . . ?
O22 C216 C215 117.0(12) . . ?
C211 C216 C215 115.9(11) . . ?
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
Pb1 O11 2.481(8) . ?
Pb1 O12 2.604(7) . ?
Pb1 O21 2.637(8) . ?
Pb1 O22 2.648(8) . ?
Pb1 O101 2.651(11) . ?
Cu1 O21 1.889(8) . ?
Cu1 O22 1.911(8) . ?
Cu1 N21 1.913(11) . ?
Cu1 N22 1.914(11) . ?
Cu2 O11 1.891(8) . ?
Cu2 N12 1.908(11) . ?
Cu2 O12 1.910(8) . ?
Cu2 N11 1.913(12) . ?
O11 C11 1.356(13) . ?
O12 C116 1.331(14) . ?
O13 C12 1.352(16) . ?
O13 C117 1.426(17) . ?
O14 C115 1.353(15) . ?
O14 C118 1.490(18) . ?
O21 C21 1.367(14) . ?
O22 C216 1.326(14) . ?
O23 C22 1.351(17) . ?
O23 C217 1.375(18) . ?
O24 C215 1.395(16) . ?
O24 C218 1.44(2) . ?
O101 N100 1.245(16) . ?
O102 N100 1.222(16) . ?
O103 N100 1.222(16) . ?
N11 C17 1.270(17) . ?
N11 C18 1.457(18) . ?
N12 C110 1.260(18) . ?
N12 C19 1.468(19) . ?
N21 C27 1.300(17) . ?
N21 C28 1.467(17) . ?
N22 C210 1.308(16) . ?
N22 C29 1.468(17) . ?
C11 C16 1.385(16) . ?
C11 C12 1.421(18) . ?
C12 C13 1.391(18) . ?
C13 C14 1.409(19) . ?
C14 C15 1.34(2) . ?
C15 C16 1.422(19) . ?
C16 C17 1.452(19) . ?
C18 C19 1.50(2) . ?
C21 C22 1.417(18) . ?
C21 C26 1.426(18) . ?
C22 C23 1.381(19) . ?
C23 C24 1.39(2) . ?
C24 C25 1.37(2) . ?
C25 C26 1.41(2) . ?
C26 C27 1.465(19) . ?
C28 C29 1.46(2) . ?
C110 C111 1.44(2) . ?
C111 C112 1.415(19) . ?
C111 C116 1.433(18) . ?
C112 C113 1.34(2) . ?
C113 C114 1.33(2) . ?
C114 C115 1.386(18) . ?
C115 C116 1.409(18) . ?
C210 C211 1.40(2) . ?
C211 C212 1.36(2) . ?
C211 C216 1.390(17) . ?
C212 C213 1.35(2) . ?
C213 C214 1.38(2) . ?
C214 C215 1.373(19) . ?
C215 C216 1.432(18) . ?
