#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:54:16 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179083 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/45/4304564.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_4304564
loop_
_publ_author_name
'Ravi Shankar'
'Atul Pratap Singh'
'Mary F. Mahon'
'Kieran C. Molloy'
'Geeta Hundal'
'Monique Biesemans'
'Rudolph Willem'
_publ_section_title
;
Recipe for New Diorganostannates, [R2Sn(OS(O)2R1)4]2-, Bearing
Alkanesulfonate Groups Using Dialkyl Sulfite as the Reagent
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              790
_journal_page_last               792
_journal_paper_doi               10.1021/ic702099t
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C28 H70 N2 O12 S4 Sn'
_chemical_formula_weight         873.79
_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-97
_cell_angle_alpha                96.744(1)
_cell_angle_beta                 95.758(1)
_cell_angle_gamma                104.114(1)
_cell_formula_units_Z            2
_cell_length_a                   9.9400(1)
_cell_length_b                   11.7380(1)
_cell_length_c                   18.8450(2)
_cell_measurement_reflns_used    32012
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      2.910
_cell_volume                     2098.55(4)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'Denzo & Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       CCD
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            43515
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.52
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 ?
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       0.0040(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         12169
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0309
_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)+(0.0359P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0722
_reflns_number_gt                9697
_reflns_number_total             12169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702099t-file004.cif
_cod_data_source_block           c:\x-ray\helix\h07kcm15\maxus2\h07kcm15
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-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 
;
_cod_database_code               4304564
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.240777(10) 0.755550(8) 0.244487(5) 0.02087(5) Uani 1 1 d . . .
S1 S 0.30799(4) 0.70372(3) 0.42166(2) 0.02383(9) Uani 1 1 d . . .
S2 S 0.18238(4) 0.78753(3) 0.06095(2) 0.02425(9) Uani 1 1 d . . .
S3 S 0.47858(4) 0.60201(3) 0.18726(2) 0.02458(9) Uani 1 1 d . . .
S4 S 0.07472(4) 0.96837(3) 0.31653(2) 0.02516(9) Uani 1 1 d . . .
O1 O 0.34207(11) 0.71993(9) 0.34763(6) 0.0254(2) Uani 1 1 d . . .
O2 O 0.41489(12) 0.66203(11) 0.46024(6) 0.0332(3) Uani 1 1 d . . .
O3 O 0.16668(12) 0.63246(11) 0.42074(7) 0.0331(3) Uani 1 1 d . . .
O4 O 0.14065(11) 0.77956(10) 0.13405(6) 0.0282(3) Uani 1 1 d . . .
O5 O 0.07883(12) 0.82240(11) 0.01494(6) 0.0336(3) Uani 1 1 d . . .
O6 O 0.32411(12) 0.85860(11) 0.06313(6) 0.0325(3) Uani 1 1 d . . .
O7 O 0.34185(12) 0.63164(10) 0.18892(6) 0.0291(3) Uani 1 1 d . . .
O8 O 0.59477(13) 0.70560(11) 0.20527(8) 0.0448(3) Uani 1 1 d . . .
O9 O 0.47574(13) 0.52800(10) 0.12014(6) 0.0330(3) Uani 1 1 d . . .
O10 O 0.13327(12) 0.86420(10) 0.31474(6) 0.0313(3) Uani 1 1 d . . .
O11 O 0.16671(15) 1.06820(11) 0.29350(7) 0.0431(3) Uani 1 1 d . . .
O12 O 0.03079(13) 0.99351(10) 0.38613(6) 0.0331(3) Uani 1 1 d . . .
N1 N 0.18709(13) 0.31421(11) 0.49354(7) 0.0215(3) Uani 1 1 d . . .
N2 N 0.31635(13) 0.19424(11) 0.02055(7) 0.0227(3) Uani 1 1 d . . .
C1 C 0.3170(2) 0.84705(16) 0.46573(9) 0.0361(4) Uani 1 1 d . . .
H1A H 0.2973 0.8423 0.5154 0.054 Uiso 1 1 calc R . .
H1B H 0.2478 0.8797 0.4401 0.054 Uiso 1 1 calc R . .
H1C H 0.4109 0.8987 0.4662 0.054 Uiso 1 1 calc R . .
C2 C 0.1790(2) 0.64042(16) 0.02535(10) 0.0414(5) Uani 1 1 d . . .
H2A H 0.0857 0.5883 0.0258 0.062 Uiso 1 1 calc R . .
H2B H 0.2487 0.6134 0.0548 0.062 Uiso 1 1 calc R . .
H2C H 0.2008 0.6381 -0.0243 0.062 Uiso 1 1 calc R . .
C3 C 0.4847(2) 0.51391(18) 0.25588(10) 0.0464(5) Uani 1 1 d . . .
H3A H 0.5728 0.4902 0.2588 0.070 Uiso 1 1 calc R . .
H3B H 0.4058 0.4429 0.2452 0.070 Uiso 1 1 calc R . .
H3C H 0.4790 0.5594 0.3020 0.070 Uiso 1 1 calc R . .
C4 C -0.0745(2) 0.9223(2) 0.25165(11) 0.0542(6) Uani 1 1 d . . .
H4A H -0.1194 0.9876 0.2489 0.081 Uiso 1 1 calc R . .
H4B H -0.1403 0.8541 0.2652 0.081 Uiso 1 1 calc R . .
H4C H -0.0473 0.8996 0.2046 0.081 Uiso 1 1 calc R . .
C5 C 0.05541(17) 0.62003(14) 0.24362(9) 0.0273(3) Uani 1 1 d . . .
H5A H 0.0325 0.6215 0.2936 0.033 Uiso 1 1 calc R . .
H5B H -0.0215 0.6403 0.2144 0.033 Uiso 1 1 calc R . .
C6 C 0.05621(17) 0.49353(14) 0.21518(10) 0.0315(4) Uani 1 1 d . . .
H6A H 0.1347 0.4725 0.2427 0.038 Uiso 1 1 calc R . .
H6B H 0.0720 0.4888 0.1640 0.038 Uiso 1 1 calc R . .
C7 C -0.08075(18) 0.40414(15) 0.22129(11) 0.0358(4) Uani 1 1 d . . .
H7A H -0.0984 0.4113 0.2722 0.043 Uiso 1 1 calc R . .
H7B H -0.1587 0.4234 0.1922 0.043 Uiso 1 1 calc R . .
C8 C -0.0786(2) 0.27676(16) 0.19571(11) 0.0409(5) Uani 1 1 d . . .
H8A H -0.0674 0.2679 0.1444 0.061 Uiso 1 1 calc R . .
H8B H -0.1668 0.2226 0.2027 0.061 Uiso 1 1 calc R . .
H8C H -0.0004 0.2578 0.2236 0.061 Uiso 1 1 calc R . .
C9 C 0.40019(16) 0.90984(14) 0.23990(9) 0.0254(3) Uani 1 1 d . . .
H9A H 0.4440 0.8959 0.1959 0.030 Uiso 1 1 calc R . .
H9B H 0.3557 0.9757 0.2343 0.030 Uiso 1 1 calc R . .
C10 C 0.51552(17) 0.95059(15) 0.30348(10) 0.0327(4) Uani 1 1 d . . .
H10A H 0.5674 0.8889 0.3069 0.039 Uiso 1 1 calc R . .
H10B H 0.4731 0.9600 0.3484 0.039 Uiso 1 1 calc R . .
C11 C 0.61768(18) 1.06778(15) 0.29682(10) 0.0346(4) Uani 1 1 d . . .
H11A H 0.7037 1.0783 0.3310 0.041 Uiso 1 1 calc R . .
H11B H 0.6441 1.0633 0.2475 0.041 Uiso 1 1 calc R . .
C12 C 0.5612(2) 1.17576(16) 0.31154(11) 0.0433(5) Uani 1 1 d . . .
H12A H 0.4718 1.1635 0.2808 0.065 Uiso 1 1 calc R . .
H12B H 0.6282 1.2460 0.3010 0.065 Uiso 1 1 calc R . .
H12C H 0.5469 1.1876 0.3623 0.065 Uiso 1 1 calc R . .
C13 C 0.13985(17) 0.21120(14) 0.53552(9) 0.0274(4) Uani 1 1 d . . .
H13A H 0.0785 0.2335 0.5700 0.033 Uiso 1 1 calc R . .
H13B H 0.0831 0.1416 0.5013 0.033 Uiso 1 1 calc R . .
C14 C 0.2567(2) 0.17513(18) 0.57657(12) 0.0446(5) Uani 1 1 d . . .
H14A H 0.2173 0.1087 0.6017 0.067 Uiso 1 1 calc R . .
H14B H 0.3120 0.2425 0.6118 0.067 Uiso 1 1 calc R . .
H14C H 0.3169 0.1506 0.5429 0.067 Uiso 1 1 calc R . .
C15 C 0.26916(17) 0.27477(14) 0.43631(9) 0.0268(3) Uani 1 1 d . . .
H15A H 0.2127 0.1981 0.4087 0.032 Uiso 1 1 calc R . .
H15B H 0.3554 0.2605 0.4605 0.032 Uiso 1 1 calc R . .
C16 C 0.3102(2) 0.36112(17) 0.38360(10) 0.0379(4) Uani 1 1 d . . .
H16A H 0.3627 0.3282 0.3487 0.057 Uiso 1 1 calc R . .
H16B H 0.3688 0.4368 0.4099 0.057 Uiso 1 1 calc R . .
H16C H 0.2257 0.3742 0.3580 0.057 Uiso 1 1 calc R . .
C17 C 0.05908(16) 0.34812(14) 0.46057(9) 0.0254(3) Uani 1 1 d . . .
H17A H 0.0040 0.3655 0.4995 0.030 Uiso 1 1 calc R . .
H17B H 0.0909 0.4220 0.4396 0.030 Uiso 1 1 calc R . .
C18 C -0.03637(19) 0.25443(16) 0.40244(10) 0.0350(4) Uani 1 1 d . . .
H18A H -0.1157 0.2835 0.3842 0.053 Uiso 1 1 calc R . .
H18B H -0.0711 0.1814 0.4228 0.053 Uiso 1 1 calc R . .
H18C H 0.0161 0.2379 0.3628 0.053 Uiso 1 1 calc R . .
C19 C 0.28032(17) 0.42253(14) 0.54234(9) 0.0269(3) Uani 1 1 d . . .
H19A H 0.3684 0.4037 0.5601 0.032 Uiso 1 1 calc R . .
H19B H 0.3047 0.4880 0.5134 0.032 Uiso 1 1 calc R . .
C20 C 0.2164(2) 0.46557(18) 0.60659(10) 0.0407(5) Uani 1 1 d . . .
H20A H 0.2829 0.5356 0.6350 0.061 Uiso 1 1 calc R . .
H20B H 0.1945 0.4024 0.6366 0.061 Uiso 1 1 calc R . .
H20C H 0.1303 0.4866 0.5897 0.061 Uiso 1 1 calc R . .
C21 C 0.23453(18) 0.22263(15) 0.08081(9) 0.0298(4) Uani 1 1 d . . .
H21A H 0.1472 0.2390 0.0596 0.036 Uiso 1 1 calc R . .
H21B H 0.2904 0.2959 0.1122 0.036 Uiso 1 1 calc R . .
C22 C 0.1967(2) 0.12444(19) 0.12705(11) 0.0451(5) Uani 1 1 d . . .
H22A H 0.1446 0.1494 0.1648 0.068 Uiso 1 1 calc R . .
H22B H 0.2825 0.1087 0.1493 0.068 Uiso 1 1 calc R . .
H22C H 0.1388 0.0521 0.0968 0.068 Uiso 1 1 calc R . .
C23 C 0.35844(17) 0.30335(14) -0.01691(9) 0.0267(3) Uani 1 1 d . . .
H23A H 0.4168 0.3697 0.0191 0.032 Uiso 1 1 calc R . .
H23B H 0.4173 0.2861 -0.0540 0.032 Uiso 1 1 calc R . .
C24 C 0.23870(19) 0.34371(16) -0.05241(10) 0.0370(4) Uani 1 1 d . . .
H24A H 0.2759 0.4140 -0.0748 0.055 Uiso 1 1 calc R . .
H24B H 0.1809 0.3635 -0.0161 0.055 Uiso 1 1 calc R . .
H24C H 0.1816 0.2798 -0.0894 0.055 Uiso 1 1 calc R . .
C25 C 0.44724(17) 0.16066(15) 0.04903(9) 0.0284(4) Uani 1 1 d . . .
H25A H 0.5033 0.1531 0.0090 0.034 Uiso 1 1 calc R . .
H25B H 0.4191 0.0817 0.0648 0.034 Uiso 1 1 calc R . .
C26 C 0.5396(2) 0.24735(18) 0.11126(11) 0.0432(5) Uani 1 1 d . . .
H26A H 0.6214 0.2188 0.1259 0.065 Uiso 1 1 calc R . .
H26B H 0.4865 0.2537 0.1520 0.065 Uiso 1 1 calc R . .
H26C H 0.5704 0.3255 0.0960 0.065 Uiso 1 1 calc R . .
C27 C 0.22439(17) 0.08925(14) -0.03210(9) 0.0282(4) Uani 1 1 d . . .
H27A H 0.1992 0.0202 -0.0060 0.034 Uiso 1 1 calc R . .
H27B H 0.1366 0.1092 -0.0490 0.034 Uiso 1 1 calc R . .
C28 C 0.2907(2) 0.05344(17) -0.09719(10) 0.0387(4) Uani 1 1 d . . .
H28A H 0.2251 -0.0145 -0.1281 0.058 Uiso 1 1 calc R . .
H28B H 0.3766 0.0314 -0.0812 0.058 Uiso 1 1 calc R . .
H28C H 0.3134 0.1202 -0.1244 0.058 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
C9 Sn1 C5 169.38(6) . . ?
C9 Sn1 O7 95.59(5) . . ?
C5 Sn1 O7 92.16(5) . . ?
C9 Sn1 O1 94.03(5) . . ?
C5 Sn1 O1 93.60(5) . . ?
O7 Sn1 O1 87.25(4) . . ?
C9 Sn1 O10 90.09(5) . . ?
C5 Sn1 O10 83.14(5) . . ?
O7 Sn1 O10 171.12(4) . . ?
O1 Sn1 O10 85.54(4) . . ?
C9 Sn1 O4 87.50(5) . . ?
C5 Sn1 O4 85.45(5) . . ?
O7 Sn1 O4 88.50(4) . . ?
O1 Sn1 O4 175.60(3) . . ?
O10 Sn1 O4 98.60(4) . . ?
O2 S1 O3 114.72(7) . . ?
O2 S1 O1 109.81(7) . . ?
O3 S1 O1 112.04(7) . . ?
O2 S1 C1 106.92(8) . . ?
O3 S1 C1 107.12(9) . . ?
O1 S1 C1 105.66(8) . . ?
O5 S2 O6 114.48(7) . . ?
O5 S2 O4 110.67(7) . . ?
O6 S2 O4 112.37(7) . . ?
O5 S2 C2 106.75(8) . . ?
O6 S2 C2 106.96(9) . . ?
O4 S2 C2 104.91(8) . . ?
O8 S3 O9 115.82(8) . . ?
O8 S3 O7 112.20(7) . . ?
O9 S3 O7 109.27(7) . . ?
O8 S3 C3 107.78(10) . . ?
O9 S3 C3 107.10(8) . . ?
O7 S3 C3 103.84(9) . . ?
O11 S4 O12 114.69(7) . . ?
O11 S4 O10 112.38(8) . . ?
O12 S4 O10 109.75(7) . . ?
O11 S4 C4 106.71(11) . . ?
O12 S4 C4 108.38(9) . . ?
O10 S4 C4 104.28(9) . . ?
S1 O1 Sn1 138.75(7) . . ?
S2 O4 Sn1 137.04(7) . . ?
S3 O7 Sn1 142.25(7) . . ?
S4 O10 Sn1 141.81(7) . . ?
C15 N1 C19 108.74(12) . . ?
C15 N1 C17 111.57(12) . . ?
C19 N1 C17 108.07(12) . . ?
C15 N1 C13 108.04(12) . . ?
C19 N1 C13 111.38(12) . . ?
C17 N1 C13 109.08(12) . . ?
C21 N2 C25 111.40(12) . . ?
C21 N2 C27 108.67(12) . . ?
C25 N2 C27 108.24(12) . . ?
C21 N2 C23 108.80(12) . . ?
C25 N2 C23 108.93(12) . . ?
C27 N2 C23 110.81(12) . . ?
C6 C5 Sn1 117.57(11) . . ?
C5 C6 C7 112.15(14) . . ?
C8 C7 C6 112.48(15) . . ?
C10 C9 Sn1 117.06(11) . . ?
C9 C10 C11 112.22(15) . . ?
C12 C11 C10 114.32(16) . . ?
C14 C13 N1 114.88(13) . . ?
N1 C15 C16 115.30(13) . . ?
C18 C17 N1 114.92(13) . . ?
C20 C19 N1 114.72(13) . . ?
N2 C21 C22 114.23(14) . . ?
C24 C23 N2 115.43(13) . . ?
N2 C25 C26 115.10(14) . . ?
C28 C27 N2 114.69(14) . . ?
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
Sn1 C9 2.1126(15) . ?
Sn1 C5 2.1176(15) . ?
Sn1 O7 2.1880(11) . ?
Sn1 O1 2.2294(11) . ?
Sn1 O10 2.2524(11) . ?
Sn1 O4 2.2936(11) . ?
S1 O2 1.4419(12) . ?
S1 O3 1.4462(12) . ?
S1 O1 1.4910(11) . ?
S1 C1 1.7640(17) . ?
S2 O5 1.4452(12) . ?
S2 O6 1.4455(12) . ?
S2 O4 1.4848(12) . ?
S2 C2 1.7687(18) . ?
S3 O8 1.4378(12) . ?
S3 O9 1.4415(12) . ?
S3 O7 1.4852(11) . ?
S3 C3 1.7534(19) . ?
S4 O11 1.4402(13) . ?
S4 O12 1.4439(12) . ?
S4 O10 1.4752(11) . ?
S4 C4 1.7545(19) . ?
N1 C15 1.5121(19) . ?
N1 C19 1.5168(19) . ?
N1 C17 1.5199(19) . ?
N1 C13 1.527(2) . ?
N2 C21 1.5136(19) . ?
N2 C25 1.515(2) . ?
N2 C27 1.5232(19) . ?
N2 C23 1.525(2) . ?
C5 C6 1.520(2) . ?
C6 C7 1.527(2) . ?
C7 C8 1.522(2) . ?
C9 C10 1.517(2) . ?
C10 C11 1.525(2) . ?
C11 C12 1.515(2) . ?
C13 C14 1.504(2) . ?
C15 C16 1.515(2) . ?
C17 C18 1.520(2) . ?
C19 C20 1.514(2) . ?
C21 C22 1.523(2) . ?
C23 C24 1.509(2) . ?
C25 C26 1.517(2) . ?
C27 C28 1.514(2) . ?
