#------------------------------------------------------------------------------
#$Date: 2015-10-27 10:42:00 +0200 (Tue, 27 Oct 2015) $
#$Revision: 169764 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/30/7223031.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_7223031
loop_
_publ_author_name
'Soman, Rahul'
'Subramaniam, Sujatha'
'Arunkumar, Chellaiah'
_publ_section_title
;
 Protonation and axial ligation intervened fluorescent turn-off sensing of
 picric acid in freebase and tin(IV) porphyrins
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA18310C
_journal_year                    2015
_chemical_formula_sum            'C56 H34 N8 O10 Sn'
_chemical_formula_weight         1097.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-10-12 deposited with the CCDC.
2015-10-26 downloaded from the CCDC.
;
_cell_angle_alpha                102.915(2)
_cell_angle_beta                 111.599(2)
_cell_angle_gamma                105.250(2)
_cell_formula_units_Z            1
_cell_length_a                   10.8117(3)
_cell_length_b                   11.0391(8)
_cell_length_c                   11.7580(5)
_cell_measurement_reflns_used    6894
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.3
_cell_volume                     1175.85(11)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_laue_measured_fraction_full 0.993
_diffrn_reflns_laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11808
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.916
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         4102
_refine_ls_number_restraints     152
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0505P)²+0.1870P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0749
_refine_ls_wR_factor_ref         0.0779
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3948
_reflns_number_total             4102
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ra18310c2.cif
_cod_data_source_block           NEW
_cod_database_code               7223031
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.913
_shelx_estimated_absorpt_t_max   0.941
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.3268(2) 0.1397(2) 1.0926(2) 0.0302(5) Uani 1 1 d . . . . .
C2 C 1.4253(3) 0.2454(3) 1.0809(3) 0.0373(6) Uani 1 1 d . . . . .
H2 H 1.5247 0.2710 1.1188 0.045 Uiso 1 1 calc R U . . .
C3 C 1.3498(3) 0.3017(3) 1.0057(3) 0.0366(6) Uani 1 1 d . . . . .
H3 H 1.3875 0.3719 0.9815 0.044 Uiso 1 1 calc R U . . .
C4 C 1.2004(2) 0.2336(2) 0.9695(2) 0.0299(5) Uani 1 1 d . . . . .
C5 C 1.0872(3) 0.2650(2) 0.8959(2) 0.0305(5) Uani 1 1 d . . . . .
C6 C 0.9415(3) 0.2008(2) 0.8621(2) 0.0304(5) Uani 1 1 d . . . . .
C7 C 0.8253(3) 0.2319(3) 0.7847(3) 0.0381(6) Uani 1 1 d . . . . .
H7 H 0.8335 0.3017 0.7524 0.046 Uiso 1 1 calc R U . . .
C8 C 0.7019(3) 0.1420(3) 0.7670(3) 0.0388(6) Uani 1 1 d . . . . .
H8 H 0.6098 0.1379 0.7188 0.047 Uiso 1 1 calc R U . . .
C9 C 0.7366(2) 0.0536(2) 0.8350(2) 0.0314(5) Uani 1 1 d . . . . .
C10 C 0.6391(2) -0.0542(2) 0.8405(2) 0.0302(5) Uani 1 1 d . . . . .
C11 C 1.1228(3) 0.3813(3) 0.8513(3) 0.0355(6) Uani 1 1 d . . . . .
C12 C 1.1645(4) 0.5095(3) 0.9335(4) 0.0660(10) Uani 1 1 d . . . . .
H12 H 1.1770 0.5254 1.0188 0.079 Uiso 1 1 calc R U . . .
C13 C 1.1881(5) 0.6153(4) 0.8892(5) 0.0810(12) Uani 1 1 d . . . . .
H13 H 1.2145 0.7019 0.9451 0.097 Uiso 1 1 calc R U . . .
C14 C 1.1738(4) 0.5958(4) 0.7676(4) 0.0679(10) Uani 1 1 d . . . . .
H14 H 1.1898 0.6681 0.7394 0.081 Uiso 1 1 calc R U . . .
C15 C 1.1357(4) 0.4688(4) 0.6854(4) 0.0738(11) Uani 1 1 d . . . . .
H15 H 1.1260 0.4546 0.6010 0.089 Uiso 1 1 calc R U . . .
C16 C 1.1112(4) 0.3604(3) 0.7277(3) 0.0574(8) Uani 1 1 d . . . . .
H16 H 1.0871 0.2742 0.6723 0.069 Uiso 1 1 calc R U . . .
C17 C 0.4825(2) -0.0810(2) 0.7655(2) 0.0316(5) Uani 1 1 d . . . . .
C18 C 0.4175(3) -0.0106(3) 0.8179(3) 0.0515(7) Uani 1 1 d . . . . .
H18 H 0.4713 0.0553 0.9011 0.062 Uiso 1 1 calc R U . . .
C19 C 0.2730(3) -0.0359(3) 0.7489(3) 0.0579(8) Uani 1 1 d . . . . .
H19 H 0.2299 0.0114 0.7867 0.070 Uiso 1 1 calc R U . . .
C20 C 0.1941(3) -0.1294(3) 0.6265(3) 0.0496(7) Uani 1 1 d . . . . .
H20 H 0.0972 -0.1458 0.5799 0.060 Uiso 1 1 calc R U . . .
C21 C 0.2573(3) -0.1993(4) 0.5718(3) 0.0572(8) Uani 1 1 d . . . . .
H21 H 0.2035 -0.2626 0.4873 0.069 Uiso 1 1 calc R U . . .
C22 C 0.4012(3) -0.1765(3) 0.6413(3) 0.0496(7) Uani 1 1 d . . . . .
H22 H 0.4431 -0.2259 0.6039 0.059 Uiso 1 1 calc R U . . .
C23 C 0.8785(3) -0.1829(3) 0.7112(3) 0.0392(6) Uani 1 1 d . . . . .
C24 C 0.8484(3) -0.1061(3) 0.6307(3) 0.0511(7) Uani 1 1 d . . . . .
H24 H 0.9034 -0.0143 0.6657 0.061 Uiso 1 1 calc R U . . .
C25 C 0.7430(4) -0.1594(3) 0.5043(3) 0.0590(8) Uani 1 1 d . . . . .
H25 H 0.7261 -0.1049 0.4552 0.071 Uiso 1 1 calc R U . . .
C26 C 0.6623(4) -0.2949(3) 0.4512(3) 0.0579(8) Uani 1 1 d . U . . .
C27 C 0.6861(3) -0.3770(3) 0.5204(3) 0.0543(8) Uani 1 1 d . . . . .
H27 H 0.6314 -0.4689 0.4824 0.065 Uiso 1 1 calc R U . . .
C28 C 0.7934(3) -0.3211(3) 0.6488(3) 0.0431(6) Uani 1 1 d . U . . .
N1 N 1.19026(19) 0.13475(19) 1.02245(19) 0.0298(4) Uani 1 1 d . . . . .
N2 N 0.8840(2) 0.09322(19) 0.89279(19) 0.0284(4) Uani 1 1 d . . . . .
O2 O 0.98173(18) -0.13073(18) 0.82675(18) 0.0393(4) Uani 1 1 d . . . . .
N3 N 0.5499(4) -0.3565(4) 0.3155(3) 0.0912(11) Uani 1 1 d D U . . .
N4 N 0.8175(3) -0.4162(3) 0.7160(3) 0.0614(7) Uani 1 1 d D U . . .
O3 O 0.5416(12) -0.2882(7) 0.2454(6) 0.1128(17) Uani 0.894(13) 1 d D U P A 1
O4 O 0.4711(7) -0.4753(4) 0.2773(5) 0.124(2) Uani 0.894(13) 1 d D U P A 1
O5 O 0.7799(9) -0.5321(3) 0.6468(4) 0.103(2) Uani 0.930(16) 1 d D U P B 1
O6 O 0.8734(8) -0.3788(6) 0.8336(3) 0.0775(12) Uani 0.930(16) 1 d D U P B 1
O3' O 0.529(10) -0.267(4) 0.272(4) 0.098(10) Uani 0.106(13) 1 d D U P A 2
O4' O 0.553(5) -0.457(3) 0.247(2) 0.093(9) Uani 0.106(13) 1 d D U P A 2
O5' O 0.715(5) -0.519(5) 0.680(6) 0.084(12) Uani 0.070(16) 1 d D U P B 2
O6' O 0.900(9) -0.353(7) 0.831(2) 0.074(11) Uani 0.070(16) 1 d D U P B 2
Sn1 Sn 1.0000 0.0000 1.0000 0.02617(10) Uani 1 2 d S . P . .
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
N1 C1 C10 125.8(2) . 2_757
N1 C1 C2 107.5(2) . .
C10 C1 C2 126.6(2) 2_757 .
C3 C2 C1 108.4(2) . .
C3 C2 H2 125.8 . .
C1 C2 H2 125.8 . .
C2 C3 C4 107.6(2) . .
C2 C3 H3 126.2 . .
C4 C3 H3 126.2 . .
N1 C4 C5 126.5(2) . .
N1 C4 C3 107.7(2) . .
C5 C4 C3 125.7(2) . .
C4 C5 C6 126.2(2) . .
C4 C5 C11 117.9(2) . .
C6 C5 C11 115.8(2) . .
N2 C6 C5 126.1(2) . .
N2 C6 C7 107.8(2) . .
C5 C6 C7 126.0(2) . .
C8 C7 C6 107.7(2) . .
C8 C7 H7 126.1 . .
C6 C7 H7 126.1 . .
C7 C8 C9 108.4(2) . .
C7 C8 H8 125.8 . .
C9 C8 H8 125.8 . .
N2 C9 C10 126.2(2) . .
N2 C9 C8 107.3(2) . .
C10 C9 C8 126.5(2) . .
C1 C10 C9 126.4(2) 2_757 .
C1 C10 C17 117.1(2) 2_757 .
C9 C10 C17 116.5(2) . .
C12 C11 C16 119.3(3) . .
C12 C11 C5 120.0(3) . .
C16 C11 C5 120.8(3) . .
C11 C12 C13 119.8(3) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C14 C13 C12 121.5(4) . .
C14 C13 H13 119.3 . .
C12 C13 H13 119.3 . .
C13 C14 C15 119.5(3) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
C14 C15 C16 120.2(3) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
C11 C16 C15 119.8(3) . .
C11 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C18 C17 C22 118.5(2) . .
C18 C17 C10 121.0(2) . .
C22 C17 C10 120.5(2) . .
C17 C18 C19 120.9(3) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C20 C19 C18 120.3(3) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 119.7(3) . .
C19 C20 H20 120.1 . .
C21 C20 H20 120.1 . .
C20 C21 C22 120.4(3) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C17 C22 C21 120.2(3) . .
C17 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
O2 C23 C28 123.8(2) . .
O2 C23 C24 121.7(3) . .
C28 C23 C24 114.3(3) . .
C25 C24 C23 123.5(3) . .
C25 C24 H24 118.3 . .
C23 C24 H24 118.3 . .
C24 C25 C26 118.8(3) . .
C24 C25 H25 120.6 . .
C26 C25 H25 120.6 . .
C27 C26 C25 121.8(3) . .
C27 C26 N3 117.7(3) . .
C25 C26 N3 120.5(3) . .
C26 C27 C28 118.7(3) . .
C26 C27 H27 120.6 . .
C28 C27 H27 120.6 . .
C27 C28 C23 122.9(3) . .
C27 C28 N4 115.9(3) . .
C23 C28 N4 121.2(3) . .
C4 N1 C1 108.67(19) . .
C4 N1 Sn1 125.42(15) . .
C1 N1 Sn1 125.91(16) . .
C6 N2 C9 108.64(19) . .
C6 N2 Sn1 125.52(15) . .
C9 N2 Sn1 125.76(16) . .
C23 O2 Sn1 129.80(16) . .
O4 N3 O3 123.9(5) . .
O4' N3 O3' 120.6(14) . .
O4 N3 C26 117.6(4) . .
O3 N3 C26 118.5(5) . .
O4' N3 C26 115.9(14) . .
O3' N3 C26 109(3) . .
O6' N4 O5' 122.2(16) . .
O6 N4 O5 122.8(4) . .
O6 N4 C28 120.5(4) . .
O6' N4 C28 109(4) . .
O5' N4 C28 117(2) . .
O5 N4 C28 116.6(3) . .
N2 Sn1 N2 180.0 . 2_757
N2 Sn1 N1 90.16(8) . .
N2 Sn1 N1 89.84(8) 2_757 .
N2 Sn1 N1 89.84(8) . 2_757
N2 Sn1 N1 90.16(8) 2_757 2_757
N1 Sn1 N1 180.0 . 2_757
N2 Sn1 O2 90.80(7) . .
N2 Sn1 O2 89.20(7) 2_757 .
N1 Sn1 O2 88.81(7) . .
N1 Sn1 O2 91.19(7) 2_757 .
N2 Sn1 O2 89.20(7) . 2_757
N2 Sn1 O2 90.80(7) 2_757 2_757
N1 Sn1 O2 91.19(7) . 2_757
N1 Sn1 O2 88.81(7) 2_757 2_757
O2 Sn1 O2 180.0 . 2_757
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.380(3) .
C1 C10 1.396(3) 2_757
C1 C2 1.428(3) .
C2 C3 1.348(4) .
C2 H2 0.9300 .
C3 C4 1.438(3) .
C3 H3 0.9300 .
C4 N1 1.372(3) .
C4 C5 1.394(3) .
C5 C6 1.403(3) .
C5 C11 1.504(3) .
C6 N2 1.376(3) .
C6 C7 1.432(3) .
C7 C8 1.347(4) .
C7 H7 0.9300 .
C8 C9 1.432(3) .
C8 H8 0.9300 .
C9 N2 1.377(3) .
C9 C10 1.398(3) .
C10 C1 1.396(3) 2_757
C10 C17 1.501(3) .
C11 C12 1.368(4) .
C11 C16 1.372(4) .
C12 C13 1.383(5) .
C12 H12 0.9300 .
C13 C14 1.341(5) .
C13 H13 0.9300 .
C14 C15 1.366(6) .
C14 H14 0.9300 .
C15 C16 1.395(4) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.367(4) .
C17 C22 1.377(4) .
C18 C19 1.383(4) .
C18 H18 0.9300 .
C19 C20 1.354(4) .
C19 H19 0.9300 .
C20 C21 1.361(4) .
C20 H20 0.9300 .
C21 C22 1.385(4) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 O2 1.272(3) .
C23 C28 1.407(4) .
C23 C24 1.413(4) .
C24 C25 1.365(4) .
C24 H24 0.9300 .
C25 C26 1.373(5) .
C25 H25 0.9300 .
C26 C27 1.359(5) .
C26 N3 1.462(4) .
C27 C28 1.387(4) .
C27 H27 0.9300 .
C28 N4 1.469(4) .
N1 Sn1 2.0806(18) .
N2 Sn1 2.0772(18) .
O2 Sn1 2.1240(18) .
N3 O4 1.231(5) .
N3 O3 1.230(5) .
N3 O4' 1.239(8) .
N3 O3' 1.243(9) .
N4 O6 1.202(3) .
N4 O6' 1.213(9) .
N4 O5' 1.215(9) .
N4 O5 1.217(3) .
Sn1 N2 2.0772(18) 2_757
Sn1 N1 2.0807(18) 2_757
Sn1 O2 2.1240(18) 2_757
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 -0.2(3) . .
C10 C1 C2 C3 178.3(2) 2_757 .
C1 C2 C3 C4 0.9(3) . .
C2 C3 C4 N1 -1.4(3) . .
C2 C3 C4 C5 177.4(2) . .
N1 C4 C5 C6 -0.2(4) . .
C3 C4 C5 C6 -178.8(2) . .
N1 C4 C5 C11 177.6(2) . .
C3 C4 C5 C11 -0.9(4) . .
C4 C5 C6 N2 -1.7(4) . .
C11 C5 C6 N2 -179.6(2) . .
C4 C5 C6 C7 -178.9(2) . .
C11 C5 C6 C7 3.2(4) . .
N2 C6 C7 C8 -1.8(3) . .
C5 C6 C7 C8 175.8(3) . .
C6 C7 C8 C9 1.3(3) . .
C7 C8 C9 N2 -0.4(3) . .
C7 C8 C9 C10 -179.6(3) . .
N2 C9 C10 C1 1.3(4) . 2_757
C8 C9 C10 C1 -179.6(2) . 2_757
N2 C9 C10 C17 -177.9(2) . .
C8 C9 C10 C17 1.2(4) . .
C4 C5 C11 C12 -84.1(3) . .
C6 C5 C11 C12 94.0(3) . .
C4 C5 C11 C16 97.2(3) . .
C6 C5 C11 C16 -84.7(3) . .
C16 C11 C12 C13 2.9(6) . .
C5 C11 C12 C13 -175.8(3) . .
C11 C12 C13 C14 -1.4(7) . .
C12 C13 C14 C15 -0.3(7) . .
C13 C14 C15 C16 0.3(6) . .
C12 C11 C16 C15 -2.9(5) . .
C5 C11 C16 C15 175.9(3) . .
C14 C15 C16 C11 1.3(5) . .
C1 C10 C17 C18 97.8(3) 2_757 .
C9 C10 C17 C18 -82.9(3) . .
C1 C10 C17 C22 -83.0(3) 2_757 .
C9 C10 C17 C22 96.3(3) . .
C22 C17 C18 C19 1.1(5) . .
C10 C17 C18 C19 -179.7(3) . .
C17 C18 C19 C20 -1.5(5) . .
C18 C19 C20 C21 0.5(5) . .
C19 C20 C21 C22 0.8(5) . .
C18 C17 C22 C21 0.3(5) . .
C10 C17 C22 C21 -178.9(3) . .
C20 C21 C22 C17 -1.3(5) . .
O2 C23 C24 C25 177.0(3) . .
C28 C23 C24 C25 2.0(4) . .
C23 C24 C25 C26 -0.7(5) . .
C24 C25 C26 C27 -0.8(5) . .
C24 C25 C26 N3 -179.0(3) . .
C25 C26 C27 C28 1.0(5) . .
N3 C26 C27 C28 179.2(3) . .
C26 C27 C28 C23 0.4(5) . .
C26 C27 C28 N4 -177.4(3) . .
O2 C23 C28 C27 -176.6(3) . .
C24 C23 C28 C27 -1.8(4) . .
O2 C23 C28 N4 1.1(4) . .
C24 C23 C28 N4 175.9(3) . .
C5 C4 N1 C1 -177.5(2) . .
C3 C4 N1 C1 1.3(3) . .
C5 C4 N1 Sn1 2.6(4) . .
C3 C4 N1 Sn1 -178.63(16) . .
C10 C1 N1 C4 -179.2(2) 2_757 .
C2 C1 N1 C4 -0.7(3) . .
C10 C1 N1 Sn1 0.8(4) 2_757 .
C2 C1 N1 Sn1 179.20(16) . .
C5 C6 N2 C9 -176.0(2) . .
C7 C6 N2 C9 1.6(3) . .
C5 C6 N2 Sn1 0.9(4) . .
C7 C6 N2 Sn1 178.52(16) . .
C10 C9 N2 C6 178.5(2) . .
C8 C9 N2 C6 -0.8(3) . .
C10 C9 N2 Sn1 1.5(4) . .
C8 C9 N2 Sn1 -177.72(16) . .
C28 C23 O2 Sn1 -111.9(3) . .
C24 C23 O2 Sn1 73.6(3) . .
C27 C26 N3 O4 9.3(7) . .
C25 C26 N3 O4 -172.5(5) . .
C27 C26 N3 O3 -169.0(6) . .
C25 C26 N3 O3 9.2(7) . .
C27 C26 N3 O4' -48(3) . .
C25 C26 N3 O4' 130(3) . .
C27 C26 N3 O3' 171(4) . .
C25 C26 N3 O3' -11(4) . .
C27 C28 N4 O6 -157.4(5) . .
C23 C28 N4 O6 24.7(6) . .
C27 C28 N4 O6' -171(5) . .
C23 C28 N4 O6' 11(5) . .
C27 C28 N4 O5' -28(5) . .
C23 C28 N4 O5' 154(5) . .
C27 C28 N4 O5 23.5(7) . .
C23 C28 N4 O5 -154.4(6) . .
