#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:05:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179612 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/76/4507641.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_4507641
loop_
_publ_author_name
'Chandrasekhar, Vadapalli'
'Kundu, Subrata'
'Kumar, Jitendra'
'Verma, Sandeep'
'Gopal, Kandasamy'
'Chaturbedi, Amaresh'
'Subramaniam, Kuppuswamy'
_publ_section_title
;
 Supramolecular Signatures of Adenine-Containing Organostannoxane
 Assemblies
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1665
_journal_paper_doi               10.1021/cg3018776
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C48 H90 N10 O8 Sn4'
_chemical_formula_sum            'C48 H90 N10 O8 Sn4'
_chemical_formula_weight         1410.06
_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                104.306(6)
_cell_angle_beta                 102.130(5)
_cell_angle_gamma                101.758(5)
_cell_formula_units_Z            1
_cell_length_a                   10.903(5)
_cell_length_b                   11.744(5)
_cell_length_c                   12.783(6)
_cell_measurement_reflns_used    5537
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.7
_cell_measurement_theta_min      3.4
_cell_volume                     1493.1(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND 3.1 d'
_computing_publication_material  'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       ω
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8155
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.42
_exptl_absorpt_coefficient_mu    1.708
_exptl_absorpt_correction_T_max  0.7263
_exptl_absorpt_correction_T_min  0.7263
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North et al, 1968'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.109
_refine_diff_density_min         -2.065
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5537
_refine_ls_number_restraints     134
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1025P)²+9.0918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1723
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                4505
_reflns_number_total             5537
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3018776_si_002.cif
_cod_data_source_block           complex3
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1493.1(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4507641
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
C2 C -0.3476(8) -0.5752(8) 0.8187(7) 0.0434(19) Uani 1 1 d .
H2 H -0.4132 -0.6323 0.7592 0.052 Uiso 1 1 calc R
C4 C -0.1452(7) -0.4650(6) 0.8905(6) 0.0320(16) Uani 1 1 d .
C5 C -0.1698(8) -0.4075(7) 0.9909(6) 0.0328(16) Uani 1 1 d .
C6 C -0.2974(8) -0.4424(7) 0.9989(7) 0.0344(16) Uani 1 1 d .
C8 C 0.0320(7) -0.3337(6) 1.0076(6) 0.0335(16) Uani 1 1 d .
H8 H 0.1186 -0.2879 1.0364 0.040 Uiso 1 1 calc R
C10 C 0.0553(9) -0.4478(7) 0.8208(7) 0.0380(18) Uani 1 1 d .
H10A H 0.0361 -0.5359 0.7918 0.046 Uiso 1 1 calc R
H10B H 0.1481 -0.4160 0.8567 0.046 Uiso 1 1 calc R
C11 C 0.0196(9) -0.3965(7) 0.7238(7) 0.0403(19) Uani 1 1 d .
H11A H 0.0557 -0.4319 0.6645 0.048 Uiso 1 1 calc R
H11B H -0.0744 -0.4201 0.6941 0.048 Uiso 1 1 calc R
C12 C 0.0686(8) -0.2598(7) 0.7578(7) 0.0384(18) Uani 1 1 d .
C13 C 0.3027(11) 0.0157(14) 0.7980(17) 0.127(7) Uani 1 1 d DU
H13A H 0.3213 -0.0622 0.7945 0.153 Uiso 1 1 calc R
H13B H 0.3365 0.0453 0.7424 0.153 Uiso 1 1 calc R
C14 C 0.3722(15) 0.0992(17) 0.9063(18) 0.216(11) Uani 1 1 d DU
H14A H 0.3537 0.0627 0.9635 0.260 Uiso 1 1 calc R
H14B H 0.3424 0.1726 0.9164 0.260 Uiso 1 1 calc R
C15 C 0.5131(17) 0.132(2) 0.921(3) 0.305(15) Uani 1 1 d DU
H15A H 0.5350 0.1760 0.8692 0.366 Uiso 1 1 calc R
H15B H 0.5447 0.0595 0.9075 0.366 Uiso 1 1 calc R
C16 C 0.5707(19) 0.212(2) 1.041(2) 0.36(2) Uani 1 1 d DU
H16A H 0.6638 0.2379 1.0569 0.540 Uiso 1 1 calc R
H16B H 0.5479 0.1663 1.0904 0.540 Uiso 1 1 calc R
H16C H 0.5369 0.2819 1.0525 0.540 Uiso 1 1 calc R
C17 C -0.0450(14) -0.0029(9) 0.8433(8) 0.096(5) Uani 1 1 d DU
H17A H -0.0026 0.0156 0.9225 0.116 Uiso 1 1 calc R
H17B H -0.0807 0.0643 0.8338 0.116 Uiso 1 1 calc R
C18 C -0.152(2) -0.1141(15) 0.809(2) 0.188(10) Uani 1 1 d DU
H18A H -0.1760 -0.1451 0.7274 0.225 Uiso 1 1 calc R
H18B H -0.1188 -0.1742 0.8371 0.225 Uiso 1 1 calc R
C19 C -0.267(2) -0.109(2) 0.840(3) 0.260(14) Uani 1 1 d DU
H19A H -0.3153 -0.0658 0.7989 0.312 Uiso 1 1 calc R
H19B H -0.2473 -0.0682 0.9198 0.312 Uiso 1 1 calc R
C20 C -0.346(2) -0.243(2) 0.811(3) 0.35(2) Uani 1 1 d DU
H20A H -0.4148 -0.2461 0.8470 0.528 Uiso 1 1 calc R
H20B H -0.2896 -0.2891 0.8370 0.528 Uiso 1 1 calc R
H20C H -0.3820 -0.2761 0.7313 0.528 Uiso 1 1 calc R
C21 C -0.1156(11) 0.2173(10) 0.5744(10) 0.069(3) Uani 1 1 d DU
H21A H -0.0987 0.2741 0.6485 0.083 Uiso 1 1 calc R
H21B H -0.1191 0.2647 0.5221 0.083 Uiso 1 1 calc R
C22 C -0.2422(16) 0.1376(17) 0.549(2) 0.188(10) Uani 1 1 d DU
H22A H -0.2330 0.0778 0.5883 0.225 Uiso 1 1 calc R
H22B H -0.2659 0.0937 0.4693 0.225 Uiso 1 1 calc R
C23 C -0.3526(17) 0.177(3) 0.569(2) 0.230(14) Uani 1 1 d DU
H23A H -0.3248 0.2490 0.6343 0.276 Uiso 1 1 calc R
H23B H -0.4118 0.1134 0.5843 0.276 Uiso 1 1 calc R
C24 C -0.422(3) 0.207(3) 0.468(3) 0.31(2) Uani 1 1 d DU
H24A H -0.4924 0.2387 0.4834 0.459 Uiso 1 1 calc R
H24B H -0.4553 0.1337 0.4046 0.459 Uiso 1 1 calc R
H24C H -0.3615 0.2662 0.4501 0.459 Uiso 1 1 calc R
C25 C 0.2222(16) 0.2258(17) 0.5461(16) 0.130(6) Uani 1 1 d DU
H25A H 0.2723 0.1672 0.5519 0.155 Uiso 1 1 calc R
H25B H 0.1992 0.2209 0.4672 0.155 Uiso 1 1 calc R
C26 C 0.3146(19) 0.340(2) 0.599(3) 0.223(11) Uani 1 1 d DU
H26A H 0.3675 0.3419 0.6707 0.267 Uiso 1 1 calc R
H26B H 0.3712 0.3572 0.5522 0.267 Uiso 1 1 calc R
C27 C 0.2420(16) 0.4262(18) 0.6136(17) 0.135(6) Uani 1 1 d DU
H27A H 0.2129 0.4316 0.6809 0.162 Uiso 1 1 calc R
H27B H 0.1668 0.4057 0.5495 0.162 Uiso 1 1 calc R
C28 C 0.339(3) 0.545(2) 0.624(4) 0.35(2) Uani 1 1 d DU
H28A H 0.2972 0.6101 0.6319 0.530 Uiso 1 1 calc R
H28B H 0.3700 0.5361 0.5585 0.530 Uiso 1 1 calc R
H28C H 0.4115 0.5646 0.6893 0.530 Uiso 1 1 calc R
N1 N -0.3863(7) -0.5288(6) 0.9102(6) 0.0405(15) Uani 1 1 d .
N3 N -0.2328(7) -0.5525(6) 0.8006(5) 0.0377(15) Uani 1 1 d .
N6 N -0.3329(7) -0.3968(6) 1.0906(6) 0.0401(16) Uani 1 1 d .
H6A H -0.4118 -0.4225 1.0929 0.048 Uiso 1 1 calc R
H6B H -0.2770 -0.3417 1.1475 0.048 Uiso 1 1 calc R
N7 N -0.0561(6) -0.3237(5) 1.0640(5) 0.0305(13) Uani 1 1 d .
N9 N -0.0155(6) -0.4169(5) 0.9037(5) 0.0308(14) Uani 1 1 d .
O1 O 0.0373(7) -0.2106(5) 0.6795(5) 0.0443(14) Uani 1 1 d .
O2 O 0.1302(7) -0.1987(5) 0.8544(6) 0.0529(16) Uani 1 1 d .
O3 O 0.1190(5) 0.1818(5) 0.7514(4) 0.0343(12) Uani 1 1 d D
O4 O 0.0293(8) -0.0217(5) 0.5908(4) 0.0533(18) Uani 1 1 d .
Sn01 Sn 0.09833(6) -0.01413(5) 0.75203(4) 0.0349(2) Uani 1 1 d .
Sn02 Sn 0.04683(7) 0.14868(5) 0.57331(4) 0.0425(2) Uani 1 1 d .
H3 H 0.085(2) 0.231(4) 0.784(6) 0.05(3) Uiso 1 1 d 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'
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
N3 C2 N1 130.3(7) . .
N3 C2 H2 114.8 . .
N1 C2 H2 114.8 . .
N3 C4 N9 127.8(7) . .
N3 C4 C5 126.3(7) . .
N9 C4 C5 105.8(7) . .
N7 C5 C4 110.0(7) . .
N7 C5 C6 133.1(7) . .
C4 C5 C6 117.0(7) . .
N6 C6 N1 119.3(7) . .
N6 C6 C5 122.9(7) . .
N1 C6 C5 117.7(7) . .
N7 C8 N9 113.9(7) . .
N7 C8 H8 123.1 . .
N9 C8 H8 123.1 . .
N9 C10 C11 112.1(6) . .
N9 C10 H10A 109.2 . .
C11 C10 H10A 109.2 . .
N9 C10 H10B 109.2 . .
C11 C10 H10B 109.2 . .
H10A C10 H10B 107.9 . .
C12 C11 C10 112.8(7) . .
C12 C11 H11A 109.0 . .
C10 C11 H11A 109.0 . .
C12 C11 H11B 109.0 . .
C10 C11 H11B 109.0 . .
H11A C11 H11B 107.8 . .
O2 C12 O1 122.3(7) . .
O2 C12 C11 122.1(7) . .
O1 C12 C11 115.5(7) . .
C14 C13 Sn01 116.4(11) . .
C14 C13 H13A 108.2 . .
Sn01 C13 H13A 108.2 . .
C14 C13 H13B 108.2 . .
Sn01 C13 H13B 108.2 . .
H13A C13 H13B 107.3 . .
C13 C14 C15 111.7(16) . .
C13 C14 H14A 109.3 . .
C15 C14 H14A 109.3 . .
C13 C14 H14B 109.3 . .
C15 C14 H14B 109.3 . .
H14A C14 H14B 107.9 . .
C14 C15 C16 104.4(19) . .
C14 C15 H15A 110.9 . .
C16 C15 H15A 110.9 . .
C14 C15 H15B 110.9 . .
C16 C15 H15B 110.9 . .
H15A C15 H15B 108.9 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 Sn01 114.3(9) . .
C18 C17 H17A 108.7 . .
Sn01 C17 H17A 108.7 . .
C18 C17 H17B 108.7 . .
Sn01 C17 H17B 108.7 . .
H17A C17 H17B 107.6 . .
C19 C18 C17 119.6(16) . .
C19 C18 H18A 107.4 . .
C17 C18 H18A 107.4 . .
C19 C18 H18B 107.4 . .
C17 C18 H18B 107.4 . .
H18A C18 H18B 107.0 . .
C18 C19 C20 105.8(17) . .
C18 C19 H19A 110.6 . .
C20 C19 H19A 110.6 . .
C18 C19 H19B 110.6 . .
C20 C19 H19B 110.6 . .
H19A C19 H19B 108.7 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 Sn02 120.9(9) . .
C22 C21 H21A 107.1 . .
Sn02 C21 H21A 107.1 . .
C22 C21 H21B 107.1 . .
Sn02 C21 H21B 107.1 . .
H21A C21 H21B 106.8 . .
C21 C22 C23 124.0(17) . .
C21 C22 H22A 106.3 . .
C23 C22 H22A 106.3 . .
C21 C22 H22B 106.3 . .
C23 C22 H22B 106.3 . .
H22A C22 H22B 106.4 . .
C22 C23 C24 110(2) . .
C22 C23 H23A 109.7 . .
C24 C23 H23A 109.7 . .
C22 C23 H23B 109.7 . .
C24 C23 H23B 109.7 . .
H23A C23 H23B 108.2 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 Sn02 132.1(16) . .
C26 C25 H25A 104.2 . .
Sn02 C25 H25A 104.2 . .
C26 C25 H25B 104.2 . .
Sn02 C25 H25B 104.2 . .
H25A C25 H25B 105.5 . .
C27 C26 C25 105.7(16) . .
C27 C26 H26A 110.6 . .
C25 C26 H26A 110.6 . .
C27 C26 H26B 110.6 . .
C25 C26 H26B 110.6 . .
H26A C26 H26B 108.7 . .
C26 C27 C28 103.1(14) . .
C26 C27 H27A 111.1 . .
C28 C27 H27A 111.1 . .
C26 C27 H27B 111.1 . .
C28 C27 H27B 111.1 . .
H27A C27 H27B 109.1 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C6 N1 C2 118.3(7) . .
C2 N3 C4 110.3(7) . .
C6 N6 H6A 120.0 . .
C6 N6 H6B 120.0 . .
H6A N6 H6B 120.0 . .
C8 N7 C5 103.8(6) . .
C8 N9 C4 106.5(6) . .
C8 N9 C10 127.4(7) . .
C4 N9 C10 126.1(7) . .
C12 O1 Sn01 108.8(5) . .
Sn02 O3 Sn01 98.6(2) . .
Sn02 O3 H3 108(6) . .
Sn01 O3 H3 127(6) . .
Sn01 O4 Sn02 111.6(3) . .
Sn01 O4 Sn02 141.2(3) . 2_556
Sn02 O4 Sn02 107.1(2) . 2_556
O4 Sn01 C13 111.7(6) . .
O4 Sn01 C17 112.4(4) . .
C13 Sn01 C17 134.5(6) . .
O4 Sn01 O1 81.8(2) . .
C13 Sn01 O1 100.2(5) . .
C17 Sn01 O1 96.3(3) . .
O4 Sn01 O3 73.9(2) . .
C13 Sn01 O3 91.4(4) . .
C17 Sn01 O3 90.6(3) . .
O1 Sn01 O3 155.5(2) . .
O4 Sn02 C25 114.6(5) . .
O4 Sn02 C21 116.6(4) . .
C25 Sn02 C21 128.7(6) . .
O4 Sn02 O4 72.9(2) . 2_556
C25 Sn02 O4 94.5(6) . 2_556
C21 Sn02 O4 96.7(4) . 2_556
O4 Sn02 O3 75.9(2) . .
C25 Sn02 O3 97.2(5) . .
C21 Sn02 O3 98.3(4) . .
O4 Sn02 O3 148.7(2) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C2 N3 1.307(11) .
C2 N1 1.352(10) .
C2 H2 0.9300 .
C4 N3 1.358(10) .
C4 N9 1.369(10) .
C4 C5 1.401(10) .
C5 N7 1.392(10) .
C5 C6 1.402(11) .
C6 N6 1.333(10) .
C6 N1 1.350(10) .
C8 N7 1.324(10) .
C8 N9 1.360(10) .
C8 H8 0.9300 .
C10 N9 1.456(9) .
C10 C11 1.521(10) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.503(11) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 O2 1.229(10) .
C12 O1 1.294(9) .
C13 C14 1.428(17) .
C13 Sn01 2.112(11) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.466(16) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.51(2) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.465(15) .
C17 Sn01 2.144(11) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.396(16) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.54(2) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.422(15) .
C21 Sn02 2.091(10) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.425(13) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.51(2) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.411(14) .
C25 Sn02 2.080(13) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.405(16) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.53(2) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
N6 H6A 0.8600 .
N6 H6B 0.8600 .
O1 Sn01 2.164(6) .
O3 Sn02 2.153(5) .
O3 Sn01 2.268(5) .
O3 H3 0.82(2) .
O4 Sn01 2.013(5) .
O4 Sn02 2.042(5) .
O4 Sn02 2.129(6) 2_556
Sn02 O4 2.129(6) 2_556
