#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:18:11 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179684 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/06/7000620.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_7000620
loop_
_publ_author_name
'Zhou, Binbin'
'Denning, Mark S.'
'Jones, Carl'
'Goicoechea, Jose M.'
_publ_section_title
;
 Reductive cleavage of Zn--C bonds by group 14 Zintl anions: synthesis
 and characterisation of [E9ZnR]3− (E = Ge, Sn, Pb; R = Mes,
 iPr)
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1571
_journal_page_last               1578
_journal_paper_doi               10.1039/b815122a
_journal_year                    2009
_chemical_formula_moiety         '3(C18 H36 K N2 O6), C9 H11 Sn9 Zn, C7 H8'
_chemical_formula_sum            'C70 H127 K3 N6 O18 Sn9 Zn'
_chemical_formula_weight         2590.84
_chemical_name_common            (K-(2,2,2-crypt))3(Sn9Zn(C9H11))*tol
_chemical_name_systematic
;
[K-(2,2,2-crypt)]3[Sn9Zn(C9H11)]*tol
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 101.4626(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.7470(1)
_cell_length_b                   24.6645(2)
_cell_length_c                   27.0957(2)
_cell_measurement_temperature    150(2)
_cell_volume                     9658.88(12)
_computing_cell_refinement
;
KappaCCD software "DENZO" (Otwinowski & Minor, 1996)
;
_computing_data_collection
;
KappaCCD software "Collect" (Nonius, 2000)
;
_computing_data_reduction
;
KappaCCD software "DENZO" (Otwinowski & Minor, 1996)
;
_computing_molecular_graphics    'WinGX (Farrugia, 2005)'
_computing_publication_material  'XCIF (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'omega 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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            31887
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.78
_exptl_absorpt_coefficient_mu    2.716
_exptl_absorpt_correction_T_max  0.8540
_exptl_absorpt_correction_T_min  0.4769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            orange-yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5079
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.629
_refine_diff_density_min         -1.702
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     993
_refine_ls_number_reflns         16791
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_gt           0.0762
_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)+(0.0579P)²+97.3469P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1739
_refine_ls_wR_factor_ref         0.1835
_reflns_number_gt                13034
_reflns_number_total             16791
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b815122a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_cell_volume        9658.86(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000620
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 1.00349(6) 0.34040(4) 0.22163(3) 0.0870(3) Uani 1 1 d . . .
Sn2 Sn 1.02075(6) 0.24420(4) 0.16237(3) 0.0899(3) Uani 1 1 d . A .
Sn5 Sn 0.89302(6) 0.24555(3) 0.23533(3) 0.0792(3) Uani 1 1 d . A .
Sn8 Sn 0.69886(6) 0.24927(4) 0.15999(4) 0.0865(3) Uani 1 1 d . . .
Sn9 Sn 0.85776(6) 0.17070(4) 0.14996(3) 0.0831(3) Uani 1 1 d . A .
Sn3 Sn 0.9251(3) 0.3575(3) 0.11427(18) 0.0747(11) Uani 0.682(13) 1 d P A .
Sn4 Sn 0.7963(3) 0.3593(2) 0.1848(2) 0.0796(11) Uani 0.682(13) 1 d P A .
Sn6 Sn 0.8745(3) 0.2503(3) 0.06424(14) 0.0992(11) Uani 0.682(13) 1 d P . .
Sn7 Sn 0.7183(2) 0.3261(3) 0.0784(2) 0.0948(12) Uani 0.682(13) 1 d P A .
Sn3A Sn 0.9203(6) 0.3424(3) 0.1051(3) 0.0552(15) Uani 0.318(13) 1 d P A 2
Sn4A Sn 0.7836(8) 0.3471(4) 0.1736(4) 0.086(3) Uani 0.318(13) 1 d P A 2
Sn6A Sn 0.8796(5) 0.2357(2) 0.0598(3) 0.0601(13) Uani 0.318(13) 1 d P A 2
Sn7A Sn 0.7169(5) 0.3136(3) 0.0679(3) 0.0624(16) Uani 0.318(13) 1 d P A 2
Zn1 Zn 0.70350(10) 0.20552(7) 0.06843(6) 0.0963(5) Uani 1 1 d . A .
C1 C 0.6119(10) 0.1563(5) 0.0194(5) 0.096(4) Uani 1 1 d . . .
C2 C 0.5650(13) 0.1151(6) 0.0360(6) 0.113(5) Uani 1 1 d . A .
C3 C 0.4998(17) 0.0815(7) 0.0014(7) 0.146(8) Uani 1 1 d . . .
H3 H 0.4703 0.0531 0.0159 0.176 Uiso 1 1 calc R A .
C4 C 0.4772(13) 0.0869(6) -0.0495(7) 0.119(5) Uani 1 1 d . A .
C5 C 0.5278(12) 0.1255(6) -0.0663(6) 0.112(5) Uani 1 1 d . . .
H5 H 0.5204 0.1313 -0.1016 0.135 Uiso 1 1 calc R A .
C6 C 0.5931(11) 0.1581(6) -0.0322(6) 0.103(4) Uani 1 1 d . A .
C9 C 0.6397(19) 0.2021(11) -0.0543(7) 0.219(14) Uani 1 1 d . . .
H9C H 0.6192 0.2019 -0.0910 0.328 Uiso 1 1 calc R A .
H9B H 0.7068 0.1966 -0.0457 0.328 Uiso 1 1 calc R . .
H9A H 0.6242 0.2370 -0.0408 0.328 Uiso 1 1 calc R . .
C7 C 0.5838(17) 0.1060(7) 0.0915(7) 0.164(9) Uani 1 1 d . . .
H7A H 0.5465 0.0754 0.0993 0.246 Uiso 1 1 calc R A .
H7B H 0.5678 0.1387 0.1084 0.246 Uiso 1 1 calc R . .
H7C H 0.6496 0.0977 0.1032 0.246 Uiso 1 1 calc R . .
C8 C 0.394(2) 0.0529(8) -0.0883(8) 0.195(11) Uani 1 1 d . . .
H8C H 0.3980 0.0608 -0.1233 0.293 Uiso 1 1 calc R A .
H8A H 0.3335 0.0641 -0.0823 0.293 Uiso 1 1 calc R . .
H8B H 0.4023 0.0139 -0.0820 0.293 Uiso 1 1 calc R . .
K1 K 0.65872(13) 0.03517(9) 0.34993(7) 0.0556(5) Uani 1 1 d . . .
O11 O 0.5283(5) -0.0502(3) 0.3440(3) 0.0702(18) Uani 1 1 d . . .
O12 O 0.4703(4) 0.0569(3) 0.3549(3) 0.0715(19) Uani 1 1 d . . .
O13 O 0.8019(5) 0.0029(3) 0.4430(3) 0.075(2) Uani 1 1 d . . .
O14 O 0.7541(5) 0.1122(3) 0.4234(3) 0.081(2) Uani 1 1 d . . .
O15 O 0.7506(5) -0.0001(4) 0.2815(3) 0.084(2) Uani 1 1 d . . .
O16 O 0.6477(5) 0.0968(3) 0.2643(3) 0.081(2) Uani 1 1 d . . .
N11 N 0.7336(6) -0.0752(4) 0.3607(4) 0.076(2) Uani 1 1 d . . .
N12 N 0.5825(7) 0.1468(4) 0.3403(4) 0.081(3) Uani 1 1 d . . .
C101 C 0.6497(9) -0.1124(5) 0.3427(5) 0.087(3) Uani 1 1 d . . .
H10A H 0.6308 -0.1095 0.3057 0.104 Uiso 1 1 calc R . .
H10B H 0.6682 -0.1504 0.3509 0.104 Uiso 1 1 calc R . .
C102 C 0.5725(8) -0.0996(5) 0.3649(5) 0.082(3) Uani 1 1 d . . .
H10C H 0.5935 -0.0953 0.4017 0.098 Uiso 1 1 calc R . .
H10D H 0.5273 -0.1297 0.3589 0.098 Uiso 1 1 calc R . .
C103 C 0.4507(7) -0.0373(5) 0.3614(5) 0.079(3) Uani 1 1 d . . .
H10E H 0.4672 -0.0332 0.3985 0.095 Uiso 1 1 calc R . .
H10F H 0.4062 -0.0677 0.3540 0.095 Uiso 1 1 calc R . .
C104 C 0.4045(7) 0.0134(5) 0.3393(4) 0.077(3) Uani 1 1 d . . .
H10G H 0.3888 0.0108 0.3021 0.092 Uiso 1 1 calc R . .
H10H H 0.3469 0.0198 0.3520 0.092 Uiso 1 1 calc R . .
C105 C 0.4255(9) 0.1065(6) 0.3385(5) 0.098(4) Uani 1 1 d . . .
H10I H 0.3695 0.1116 0.3531 0.117 Uiso 1 1 calc R . .
H10J H 0.4074 0.1077 0.3013 0.117 Uiso 1 1 calc R . .
C106 C 0.4989(9) 0.1504(5) 0.3581(5) 0.090(4) Uani 1 1 d . . .
H10K H 0.4712 0.1864 0.3488 0.107 Uiso 1 1 calc R . .
H10L H 0.5138 0.1485 0.3954 0.107 Uiso 1 1 calc R . .
C107 C 0.7905(8) -0.0873(5) 0.4132(5) 0.092(4) Uani 1 1 d . . .
H10M H 0.8266 -0.1207 0.4109 0.110 Uiso 1 1 calc R . .
H10N H 0.7468 -0.0953 0.4357 0.110 Uiso 1 1 calc R . .
C108 C 0.8587(8) -0.0427(5) 0.4388(5) 0.090(4) Uani 1 1 d . . .
H10O H 0.8917 -0.0547 0.4725 0.108 Uiso 1 1 calc R . .
H10P H 0.9047 -0.0339 0.4180 0.108 Uiso 1 1 calc R . .
C109 C 0.8594(8) 0.0439(5) 0.4712(4) 0.078(3) Uani 1 1 d . . .
H10Q H 0.9111 0.0536 0.4546 0.093 Uiso 1 1 calc R . .
H10R H 0.8853 0.0310 0.5058 0.093 Uiso 1 1 calc R . .
C110 C 0.7974(9) 0.0908(6) 0.4724(4) 0.098(4) Uani 1 1 d . . .
H11A H 0.7481 0.0800 0.4905 0.117 Uiso 1 1 calc R . .
H11B H 0.8335 0.1202 0.4921 0.117 Uiso 1 1 calc R . .
C111 C 0.7057(10) 0.1626(6) 0.4232(6) 0.102(4) Uani 1 1 d . . .
H11C H 0.7497 0.1908 0.4391 0.122 Uiso 1 1 calc R . .
H11D H 0.6575 0.1587 0.4437 0.122 Uiso 1 1 calc R . .
C112 C 0.6608(12) 0.1808(6) 0.3707(8) 0.117(6) Uani 1 1 d . . .
H11E H 0.7100 0.1836 0.3508 0.140 Uiso 1 1 calc R . .
H11F H 0.6365 0.2179 0.3735 0.140 Uiso 1 1 calc R . .
C113 C 0.7946(10) -0.0842(6) 0.3294(6) 0.109(5) Uani 1 1 d . . .
H11G H 0.8028 -0.1237 0.3253 0.130 Uiso 1 1 calc R . .
H11H H 0.8555 -0.0683 0.3442 0.130 Uiso 1 1 calc R . .
C114 C 0.7564(10) -0.0580(7) 0.2775(6) 0.108(5) Uani 1 1 d . . .
H11I H 0.7973 -0.0672 0.2539 0.129 Uiso 1 1 calc R . .
H11J H 0.6941 -0.0728 0.2636 0.129 Uiso 1 1 calc R . .
C115 C 0.7239(9) 0.0262(7) 0.2351(5) 0.101(5) Uani 1 1 d . . .
H11K H 0.6634 0.0117 0.2177 0.122 Uiso 1 1 calc R . .
H11L H 0.7697 0.0183 0.2139 0.122 Uiso 1 1 calc R . .
C116 C 0.7161(9) 0.0874(7) 0.2407(4) 0.096(4) Uani 1 1 d . . .
H11M H 0.7746 0.1022 0.2603 0.116 Uiso 1 1 calc R . .
H11N H 0.7033 0.1048 0.2071 0.116 Uiso 1 1 calc R . .
C117 C 0.6297(16) 0.1517(7) 0.2653(7) 0.149(8) Uani 1 1 d . . .
H11O H 0.6159 0.1659 0.2304 0.179 Uiso 1 1 calc R . .
H11P H 0.6855 0.1707 0.2838 0.179 Uiso 1 1 calc R . .
C118 C 0.5550(16) 0.1628(8) 0.2886(6) 0.154(9) Uani 1 1 d . . .
H11Q H 0.4997 0.1422 0.2721 0.185 Uiso 1 1 calc R . .
H11R H 0.5400 0.2020 0.2863 0.185 Uiso 1 1 calc R . .
K2 K 0.8273(2) 0.45364(10) 0.38842(9) 0.0814(7) Uani 1 1 d U . .
O21 O 0.9010(9) 0.4091(4) 0.4845(3) 0.114(3) Uani 1 1 d . . .
O22 O 0.7780(10) 0.4969(5) 0.4693(4) 0.127(4) Uani 1 1 d . . .
O23 O 1.0030(8) 0.4770(5) 0.3717(4) 0.124(3) Uani 1 1 d . . .
O24 O 0.8394(12) 0.5477(6) 0.3355(5) 0.162(5) Uani 1 1 d . . .
O25 O 0.7914(14) 0.3567(6) 0.3341(5) 0.163(6) Uani 1 1 d . . .
O26 O 0.6373(12) 0.4252(8) 0.3224(5) 0.194(8) Uani 1 1 d U . .
N21 N 0.9893(13) 0.3709(6) 0.4103(6) 0.140(5) Uani 1 1 d . . .
N22 N 0.6678(13) 0.5350(8) 0.3659(8) 0.159(6) Uani 1 1 d . . .
C201 C 0.996(2) 0.3438(8) 0.4595(8) 0.170(10) Uani 1 1 d . . .
H20A H 0.9424 0.3194 0.4584 0.205 Uiso 1 1 calc R . .
H20B H 1.0531 0.3215 0.4669 0.205 Uiso 1 1 calc R . .
C202 C 0.998(2) 0.3846(10) 0.4990(8) 0.171(9) Uani 1 1 d . . .
H20C H 1.0466 0.4122 0.4982 0.206 Uiso 1 1 calc R . .
H20D H 1.0085 0.3678 0.5328 0.206 Uiso 1 1 calc R . .
C203 C 0.8850(19) 0.4390(8) 0.5242(6) 0.149(8) Uani 1 1 d . . .
H20E H 0.9267 0.4708 0.5303 0.179 Uiso 1 1 calc R . .
H20F H 0.8933 0.4169 0.5553 0.179 Uiso 1 1 calc R . .
C204 C 0.7872(15) 0.4560(9) 0.5076(6) 0.140(7) Uani 1 1 d . . .
H20G H 0.7492 0.4241 0.4944 0.167 Uiso 1 1 calc R . .
H20H H 0.7638 0.4703 0.5369 0.167 Uiso 1 1 calc R . .
C205 C 0.6928(18) 0.5241(12) 0.4576(9) 0.171(9) Uani 1 1 d . . .
H20I H 0.6836 0.5435 0.4883 0.206 Uiso 1 1 calc R . .
H20J H 0.6433 0.4966 0.4496 0.206 Uiso 1 1 calc R . .
C206 C 0.679(2) 0.5659(11) 0.4134(10) 0.187(10) Uani 1 1 d . . .
H20K H 0.6239 0.5885 0.4136 0.225 Uiso 1 1 calc R . .
H20L H 0.7339 0.5900 0.4169 0.225 Uiso 1 1 calc R . .
C207 C 1.0737(16) 0.3962(9) 0.4083(10) 0.176(10) Uani 1 1 d . . .
H20M H 1.1202 0.3691 0.4026 0.211 Uiso 1 1 calc R . .
H20N H 1.0980 0.4158 0.4400 0.211 Uiso 1 1 calc R . .
C208 C 1.052(2) 0.4341(9) 0.3656(7) 0.179(10) Uani 1 1 d U . .
H20O H 1.1111 0.4466 0.3574 0.214 Uiso 1 1 calc R . .
H20P H 1.0184 0.4138 0.3360 0.214 Uiso 1 1 calc R . .
C209 C 0.9902(13) 0.5159(7) 0.3324(6) 0.119(5) Uani 1 1 d . . .
H20Q H 0.9597 0.4986 0.3004 0.143 Uiso 1 1 calc R . .
H20R H 1.0511 0.5298 0.3280 0.143 Uiso 1 1 calc R . .
C210 C 0.9336(14) 0.5605(11) 0.3441(9) 0.163(9) Uani 1 1 d . . .
H21A H 0.9545 0.5707 0.3799 0.195 Uiso 1 1 calc R . .
H21B H 0.9427 0.5923 0.3234 0.195 Uiso 1 1 calc R . .
C211 C 0.788(2) 0.5943(9) 0.3461(11) 0.184(9) Uani 1 1 d U . .
H21C H 0.8017 0.6261 0.3265 0.221 Uiso 1 1 calc R . .
H21D H 0.8035 0.6034 0.3824 0.221 Uiso 1 1 calc R . .
C212 C 0.6789(15) 0.5767(8) 0.3293(8) 0.142(7) Uani 1 1 d U . .
H21E H 0.6375 0.6079 0.3312 0.171 Uiso 1 1 calc R . .
H21F H 0.6655 0.5619 0.2946 0.171 Uiso 1 1 calc R . .
C213 C 0.9594(13) 0.3310(7) 0.3722(7) 0.116(5) Uani 1 1 d U . .
H21G H 0.9972 0.2981 0.3818 0.139 Uiso 1 1 calc R . .
H21H H 0.9754 0.3447 0.3406 0.139 Uiso 1 1 calc R . .
C214 C 0.853(2) 0.3124(8) 0.3591(8) 0.173(9) Uani 1 1 d U . .
H21I H 0.8470 0.2804 0.3366 0.207 Uiso 1 1 calc R . .
H21J H 0.8333 0.3015 0.3905 0.207 Uiso 1 1 calc R . .
C215 C 0.7067(17) 0.3389(10) 0.3073(7) 0.160(9) Uani 1 1 d . . .
H21K H 0.6732 0.3186 0.3296 0.192 Uiso 1 1 calc R . .
H21L H 0.7156 0.3148 0.2794 0.192 Uiso 1 1 calc R . .
C216 C 0.6472(14) 0.3935(9) 0.2845(7) 0.133(6) Uani 1 1 d U . .
H21M H 0.6803 0.4132 0.2616 0.159 Uiso 1 1 calc R . .
H21N H 0.5856 0.3827 0.2652 0.159 Uiso 1 1 calc R . .
C217 C 0.590(2) 0.4736(12) 0.3013(8) 0.233(15) Uani 1 1 d U . .
H21O H 0.5292 0.4640 0.2805 0.280 Uiso 1 1 calc R . .
H21P H 0.6270 0.4921 0.2795 0.280 Uiso 1 1 calc R . .
C218 C 0.5773(16) 0.5107(12) 0.3435(12) 0.227(16) Uani 1 1 d . . .
H21Q H 0.5323 0.5395 0.3304 0.273 Uiso 1 1 calc R . .
H21R H 0.5531 0.4899 0.3694 0.273 Uiso 1 1 calc R . .
K3 K 0.20329(14) 0.15180(10) 0.41916(8) 0.0644(5) Uani 1 1 d . . .
O31 O 0.2884(6) 0.2408(4) 0.3823(3) 0.094(2) Uani 1 1 d . . .
O32 O 0.1623(6) 0.1673(4) 0.3193(3) 0.089(2) Uani 1 1 d . . .
O33 O 0.3718(5) 0.1153(3) 0.4949(3) 0.077(2) Uani 1 1 d . . .
O34 O 0.2632(5) 0.0426(3) 0.4175(2) 0.0712(19) Uani 1 1 d . . .
O35 O 0.1324(6) 0.2156(3) 0.4799(3) 0.089(2) Uani 1 1 d . . .
O36 O 0.0145(5) 0.1299(3) 0.4192(3) 0.0725(19) Uani 1 1 d . . .
N31 N 0.3363(8) 0.2324(5) 0.4900(4) 0.095(3) Uani 1 1 d . . .
N32 N 0.0762(6) 0.0711(4) 0.3446(3) 0.067(2) Uani 1 1 d . . .
C301 C 0.3821(14) 0.2675(7) 0.4631(7) 0.132(6) Uani 1 1 d . . .
H30A H 0.4368 0.2491 0.4548 0.159 Uiso 1 1 calc R . .
H30B H 0.4039 0.2997 0.4840 0.159 Uiso 1 1 calc R . .
C302 C 0.3157(14) 0.2858(7) 0.4135(7) 0.132(6) Uani 1 1 d . . .
H30C H 0.2604 0.3035 0.4218 0.158 Uiso 1 1 calc R . .
H30D H 0.3476 0.3124 0.3955 0.158 Uiso 1 1 calc R . .
C303 C 0.2229(11) 0.2548(6) 0.3345(6) 0.107(5) Uani 1 1 d . . .
H30E H 0.1636 0.2672 0.3424 0.128 Uiso 1 1 calc R . .
H30F H 0.2490 0.2849 0.3176 0.128 Uiso 1 1 calc R . .
C304 C 0.2060(10) 0.2089(6) 0.3010(6) 0.101(4) Uani 1 1 d . . .
H30G H 0.1680 0.2208 0.2685 0.122 Uiso 1 1 calc R . .
H30H H 0.2659 0.1958 0.2943 0.122 Uiso 1 1 calc R . .
C305 C 0.1278(9) 0.1241(6) 0.2834(4) 0.088(4) Uani 1 1 d . . .
H30I H 0.1782 0.0976 0.2833 0.106 Uiso 1 1 calc R . .
H30J H 0.1115 0.1400 0.2493 0.106 Uiso 1 1 calc R . .
C306 C 0.0467(8) 0.0951(6) 0.2941(4) 0.082(3) Uani 1 1 d . . .
H30K H 0.0268 0.0665 0.2687 0.099 Uiso 1 1 calc R . .
H30L H -0.0055 0.1205 0.2936 0.099 Uiso 1 1 calc R . .
C307 C 0.4077(9) 0.2023(6) 0.5307(5) 0.099(4) Uani 1 1 d . . .
H30M H 0.4591 0.2275 0.5440 0.118 Uiso 1 1 calc R . .
H30N H 0.3775 0.1925 0.5590 0.118 Uiso 1 1 calc R . .
C308 C 0.4461(9) 0.1533(6) 0.5126(5) 0.096(4) Uani 1 1 d . . .
H30O H 0.4780 0.1626 0.4849 0.115 Uiso 1 1 calc R . .
H30P H 0.4917 0.1367 0.5402 0.115 Uiso 1 1 calc R . .
C309 C 0.4053(9) 0.0645(6) 0.4808(4) 0.091(4) Uani 1 1 d . . .
H30Q H 0.4490 0.0491 0.5099 0.109 Uiso 1 1 calc R . .
H30R H 0.4395 0.0703 0.4533 0.109 Uiso 1 1 calc R . .
C310 C 0.3304(8) 0.0256(5) 0.4641(4) 0.078(3) Uani 1 1 d . . .
H31A H 0.2961 0.0203 0.4916 0.093 Uiso 1 1 calc R . .
H31B H 0.3577 -0.0097 0.4577 0.093 Uiso 1 1 calc R . .
C311 C 0.1891(9) 0.0037(5) 0.3980(4) 0.082(3) Uani 1 1 d . . .
H31C H 0.1485 0.0000 0.4228 0.099 Uiso 1 1 calc R . .
H31D H 0.2172 -0.0322 0.3944 0.099 Uiso 1 1 calc R . .
C312 C 0.1296(8) 0.0203(5) 0.3467(4) 0.084(3) Uani 1 1 d . . .
H31E H 0.1709 0.0232 0.3222 0.101 Uiso 1 1 calc R . .
H31F H 0.0855 -0.0095 0.3352 0.101 Uiso 1 1 calc R . .
C313 C 0.2795(14) 0.2674(6) 0.5112(6) 0.120(6) Uani 1 1 d . . .
H31G H 0.2554 0.2964 0.4868 0.144 Uiso 1 1 calc R . .
H31H H 0.3162 0.2847 0.5417 0.144 Uiso 1 1 calc R . .
C314 C 0.2001(11) 0.2368(6) 0.5249(5) 0.102(4) Uani 1 1 d . . .
H31I H 0.1669 0.2610 0.5445 0.123 Uiso 1 1 calc R . .
H31J H 0.2248 0.2060 0.5469 0.123 Uiso 1 1 calc R . .
C315 C 0.0476(10) 0.1948(6) 0.4862(5) 0.099(4) Uani 1 1 d . . .
H31K H 0.0163 0.2227 0.5030 0.118 Uiso 1 1 calc R . .
H31L H 0.0598 0.1633 0.5092 0.118 Uiso 1 1 calc R . .
C316 C -0.0210(9) 0.1762(5) 0.4370(6) 0.101(5) Uani 1 1 d . . .
H31M H -0.0828 0.1687 0.4445 0.121 Uiso 1 1 calc R . .
H31N H -0.0276 0.2052 0.4112 0.121 Uiso 1 1 calc R . .
C317 C -0.0498(7) 0.1115(5) 0.3728(5) 0.079(3) Uani 1 1 d . . .
H31O H -0.1125 0.1050 0.3796 0.094 Uiso 1 1 calc R . .
H31P H -0.0542 0.1390 0.3458 0.094 Uiso 1 1 calc R . .
C318 C -0.0097(7) 0.0610(5) 0.3583(4) 0.078(3) Uani 1 1 d . . .
H31Q H -0.0009 0.0352 0.3868 0.093 Uiso 1 1 calc R . .
H31R H -0.0526 0.0444 0.3295 0.093 Uiso 1 1 calc R . .
C1S C 0.424(3) 0.3184(13) 0.2939(11) 0.28(2) Uani 1 1 d U . .
H1T H 0.4853 0.3349 0.2982 0.423 Uiso 1 1 calc R . .
H3T H 0.4221 0.2935 0.3219 0.423 Uiso 1 1 calc R . .
H2T H 0.3772 0.3468 0.2933 0.423 Uiso 1 1 calc R . .
C2S C 0.4014(12) 0.2843(7) 0.2400(7) 0.27(2) Uani 1 1 d GD . .
C3S C 0.3132(11) 0.2697(6) 0.2208(7) 0.135(6) Uani 1 1 d G . .
H3SA H 0.2651 0.2794 0.2378 0.162 Uiso 1 1 calc R . .
C4S C 0.2934(11) 0.2411(6) 0.1775(7) 0.156(8) Uani 1 1 d G . .
H4S H 0.2314 0.2308 0.1640 0.187 Uiso 1 1 calc R . .
C5S C 0.3618(16) 0.2272(7) 0.1533(6) 0.242(19) Uani 1 1 d G . .
H5S H 0.3478 0.2071 0.1228 0.291 Uiso 1 1 calc R . .
C6S C 0.4500(14) 0.2419(8) 0.1725(8) 0.34(4) Uani 1 1 d G . .
H6S H 0.4981 0.2321 0.1555 0.411 Uiso 1 1 calc R . .
C7S C 0.4698(10) 0.2705(7) 0.2159(8) 0.218(17) Uani 1 1 d GD . .
H7S H 0.5318 0.2808 0.2294 0.262 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 0.0030 0.0020 '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'
K K 0.2010 0.2490 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6540 1.4250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2840 1.4300 '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
Sn2 Sn1 Sn5 61.81(3) . . ?
Sn2 Sn1 Sn3 68.34(14) . . ?
Sn5 Sn1 Sn3 96.99(11) . . ?
Sn2 Sn1 Sn4 97.79(12) . . ?
Sn5 Sn1 Sn4 67.43(9) . . ?
Sn3 Sn1 Sn4 58.92(11) . . ?
Sn2 Sn1 Sn3A 61.23(11) . . ?
Sn5 Sn1 Sn3A 91.39(15) . . ?
Sn3 Sn1 Sn3A 7.37(17) . . ?
Sn4 Sn1 Sn3A 60.37(19) . . ?
Sn2 Sn1 Sn4A 90.60(18) . . ?
Sn5 Sn1 Sn4A 63.50(18) . . ?
Sn3 Sn1 Sn4A 55.35(17) . . ?
Sn4 Sn1 Sn4A 7.2(2) . . ?
Sn3A Sn1 Sn4A 55.9(2) . . ?
Sn1 Sn2 Sn9 113.74(3) . . ?
Sn1 Sn2 Sn5 59.29(3) . . ?
Sn9 Sn2 Sn5 58.71(3) . . ?
Sn1 Sn2 Sn6 108.32(15) . . ?
Sn9 Sn2 Sn6 61.35(9) . . ?
Sn5 Sn2 Sn6 98.37(9) . . ?
Sn1 Sn2 Sn3A 63.35(13) . . ?
Sn9 Sn2 Sn3A 97.18(17) . . ?
Sn5 Sn2 Sn3A 91.22(14) . . ?
Sn6 Sn2 Sn3A 49.01(15) . . ?
Sn1 Sn2 Sn6A 115.46(8) . . ?
Sn9 Sn2 Sn6A 58.61(11) . . ?
Sn5 Sn2 Sn6A 101.12(10) . . ?
Sn6 Sn2 Sn6A 7.20(17) . . ?
Sn3A Sn2 Sn6A 55.91(16) . . ?
Sn1 Sn2 Sn3 56.34(11) . . ?
Sn9 Sn2 Sn3 101.55(8) . . ?
Sn5 Sn2 Sn3 88.60(8) . . ?
Sn6 Sn2 Sn3 56.14(10) . . ?
Sn3A Sn2 Sn3 7.26(16) . . ?
Sn6A Sn2 Sn3 63.09(13) . . ?
Sn1 Sn5 Sn9 114.94(3) . . ?
Sn1 Sn5 Sn2 58.90(3) . . ?
Sn9 Sn5 Sn2 60.41(3) . . ?
Sn1 Sn5 Sn8 110.53(3) . . ?
Sn9 Sn5 Sn8 60.86(3) . . ?
Sn2 Sn5 Sn8 100.46(3) . . ?
Sn1 Sn5 Sn4A 63.2(2) . . ?
Sn9 Sn5 Sn4A 95.0(2) . . ?
Sn2 Sn5 Sn4A 88.97(14) . . ?
Sn8 Sn5 Sn4A 49.8(2) . . ?
Sn1 Sn5 Sn4 58.29(7) . . ?
Sn9 Sn5 Sn4 102.28(11) . . ?
Sn2 Sn5 Sn4 90.70(8) . . ?
Sn8 Sn5 Sn4 56.65(9) . . ?
Sn4A Sn5 Sn4 7.6(2) . . ?
Sn4A Sn8 Zn1 112.53(19) . . ?
Sn4A Sn8 Sn7 54.7(2) . . ?
Zn1 Sn8 Sn7 63.25(16) . . ?
Sn4A Sn8 Sn7A 61.9(2) . . ?
Zn1 Sn8 Sn7A 55.32(13) . . ?
Sn7 Sn8 Sn7A 7.93(19) . . ?
Sn4A Sn8 Sn4 4.7(3) . . ?
Zn1 Sn8 Sn4 116.95(11) . . ?
Sn7 Sn8 Sn4 59.37(14) . . ?
Sn7A Sn8 Sn4 66.57(17) . . ?
Sn4A Sn8 Sn9 103.5(2) . . ?
Zn1 Sn8 Sn9 60.95(4) . . ?
Sn7 Sn8 Sn9 98.47(11) . . ?
Sn7A Sn8 Sn9 93.67(9) . . ?
Sn4 Sn8 Sn9 104.02(9) . . ?
Sn4A Sn8 Sn5 66.7(2) . . ?
Zn1 Sn8 Sn5 113.13(4) . . ?
Sn7 Sn8 Sn5 106.83(8) . . ?
Sn7A Sn8 Sn5 109.34(15) . . ?
Sn4 Sn8 Sn5 64.07(10) . . ?
Sn9 Sn8 Sn5 55.64(3) . . ?
Sn5 Sn9 Zn1 113.32(5) . . ?
Sn5 Sn9 Sn2 60.88(3) . . ?
Zn1 Sn9 Sn2 112.99(4) . . ?
Sn5 Sn9 Sn6A 106.08(12) . . ?
Zn1 Sn9 Sn6A 55.11(14) . . ?
Sn2 Sn9 Sn6A 63.28(15) . . ?
Sn5 Sn9 Sn6 99.51(14) . . ?
Zn1 Sn9 Sn6 54.55(8) . . ?
Sn2 Sn9 Sn6 60.93(8) . . ?
Sn6A Sn9 Sn6 7.19(16) . . ?
Sn5 Sn9 Sn8 63.50(3) . . ?
Zn1 Sn9 Sn8 53.26(4) . . ?
Sn2 Sn9 Sn8 102.56(4) . . ?
Sn6A Sn9 Sn8 86.73(9) . . ?
Sn6 Sn9 Sn8 80.98(12) . . ?
Sn4A Sn3 Sn1 67.8(2) . . ?
Sn4A Sn3 Sn4 8.6(3) . . ?
Sn1 Sn3 Sn4 62.51(12) . . ?
Sn4A Sn3 Sn6 91.8(2) . . ?
Sn1 Sn3 Sn6 109.53(16) . . ?
Sn4 Sn3 Sn6 99.85(16) . . ?
Sn4A Sn3 Sn7 51.6(2) . . ?
Sn1 Sn3 Sn7 116.21(14) . . ?
Sn4 Sn3 Sn7 59.21(13) . . ?
Sn6 Sn3 Sn7 59.87(12) . . ?
Sn4A Sn3 Sn7A 57.0(3) . . ?
Sn1 Sn3 Sn7A 119.20(17) . . ?
Sn4 Sn3 Sn7A 64.91(15) . . ?
Sn6 Sn3 Sn7A 53.30(17) . . ?
Sn7 Sn3 Sn7A 6.96(16) . . ?
Sn4A Sn3 Sn2 90.3(2) . . ?
Sn1 Sn3 Sn2 55.33(8) . . ?
Sn4 Sn3 Sn2 92.08(14) . . ?
Sn6 Sn3 Sn2 58.45(10) . . ?
Sn7 Sn3 Sn2 103.23(13) . . ?
Sn7A Sn3 Sn2 99.62(18) . . ?
Sn4A Sn3 Sn6A 93.5(2) . . ?
Sn1 Sn3 Sn6A 108.1(2) . . ?
Sn4 Sn3 Sn6A 101.51(16) . . ?
Sn6 Sn3 Sn6A 2.86(18) . . ?
Sn7 Sn3 Sn6A 62.70(14) . . ?
Sn7A Sn3 Sn6A 56.15(16) . . ?
Sn2 Sn3 Sn6A 56.25(17) . . ?
Sn3 Sn4 Sn7 63.05(13) . . ?
Sn3 Sn4 Sn1 58.57(11) . . ?
Sn7 Sn4 Sn1 116.13(14) . . ?
Sn3 Sn4 Sn8 100.29(13) . . ?
Sn7 Sn4 Sn8 58.44(11) . . ?
Sn1 Sn4 Sn8 109.26(16) . . ?
Sn3 Sn4 Sn3A 7.77(17) . . ?
Sn7 Sn4 Sn3A 57.61(19) . . ?
Sn1 Sn4 Sn3A 61.4(2) . . ?
Sn8 Sn4 Sn3A 92.53(17) . . ?
Sn3 Sn4 Sn5 88.61(13) . . ?
Sn7 Sn4 Sn5 102.56(14) . . ?
Sn1 Sn4 Sn5 54.28(8) . . ?
Sn8 Sn4 Sn5 59.27(9) . . ?
Sn3A Sn4 Sn5 84.85(18) . . ?
Sn3 Sn4 Sn7A 62.06(15) . . ?
Sn7 Sn4 Sn7A 4.13(17) . . ?
Sn1 Sn4 Sn7A 113.39(19) . . ?
Sn8 Sn4 Sn7A 55.73(14) . . ?
Sn3A Sn4 Sn7A 56.2(2) . . ?
Sn5 Sn4 Sn7A 98.46(17) . . ?
Sn3A Sn6 Zn1 120.0(3) . . ?
Sn3A Sn6 Sn7A 69.0(3) . . ?
Zn1 Sn6 Sn7A 57.08(19) . . ?
Sn3A Sn6 Sn3 1.6(2) . . ?
Zn1 Sn6 Sn3 118.6(2) . . ?
Sn7A Sn6 Sn3 68.2(2) . . ?
Sn3A Sn6 Sn7 62.8(2) . . ?
Zn1 Sn6 Sn7 61.53(17) . . ?
Sn7A Sn6 Sn7 6.8(2) . . ?
Sn3 Sn6 Sn7 61.90(12) . . ?
Sn3A Sn6 Sn2 65.8(2) . . ?
Zn1 Sn6 Sn2 115.56(11) . . ?
Sn7A Sn6 Sn2 116.0(2) . . ?
Sn3 Sn6 Sn2 65.40(14) . . ?
Sn7 Sn6 Sn2 109.80(14) . . ?
Sn3A Sn6 Sn9 107.0(2) . . ?
Zn1 Sn6 Sn9 60.47(8) . . ?
Sn7A Sn6 Sn9 97.79(17) . . ?
Sn3 Sn6 Sn9 105.71(15) . . ?
Sn7 Sn6 Sn9 96.86(12) . . ?
Sn2 Sn6 Sn9 57.72(7) . . ?
Sn4A Sn7 Sn3A 64.9(3) . . ?
Sn4A Sn7 Sn8 57.6(3) . . ?
Sn3A Sn7 Sn8 98.45(19) . . ?
Sn4A Sn7 Zn1 107.0(2) . . ?
Sn3A Sn7 Zn1 102.13(17) . . ?
Sn8 Sn7 Zn1 54.30(9) . . ?
Sn4A Sn7 Sn4 4.6(3) . . ?
Sn3A Sn7 Sn4 63.33(17) . . ?
Sn8 Sn7 Sn4 62.19(14) . . ?
Zn1 Sn7 Sn4 111.46(15) . . ?
Sn4A Sn7 Sn6 96.1(2) . . ?
Sn3A Sn7 Sn6 50.44(15) . . ?
Sn8 Sn7 Sn6 83.68(12) . . ?
Zn1 Sn7 Sn6 54.74(10) . . ?
Sn4 Sn7 Sn6 97.66(14) . . ?
Sn4A Sn7 Sn3 59.8(3) . . ?
Sn3A Sn7 Sn3 7.88(15) . . ?
Sn8 Sn7 Sn3 99.23(13) . . ?
Zn1 Sn7 Sn3 109.02(11) . . ?
Sn4 Sn7 Sn3 57.74(12) . . ?
Sn6 Sn7 Sn3 58.23(10) . . ?
Sn4A Sn7 Sn6A 98.4(3) . . ?
Sn3A Sn7 Sn6A 54.47(16) . . ?
Sn8 Sn7 Sn6A 82.23(16) . . ?
Zn1 Sn7 Sn6A 50.92(15) . . ?
Sn4 Sn7 Sn6A 100.21(18) . . ?
Sn6 Sn7 Sn6A 4.04(19) . . ?
Sn3 Sn7 Sn6A 62.24(15) . . ?
Sn6 Sn3A Sn6A 3.4(2) . . ?
Sn6 Sn3A Sn7 66.8(2) . . ?
Sn6A Sn3A Sn7 70.1(2) . . ?
Sn6 Sn3A Sn4A 98.6(3) . . ?
Sn6A Sn3A Sn4A 100.8(3) . . ?
Sn7 Sn3A Sn4A 52.2(2) . . ?
Sn6 Sn3A Sn7A 59.5(2) . . ?
Sn6A Sn3A Sn7A 62.9(2) . . ?
Sn7 Sn3A Sn7A 7.71(17) . . ?
Sn4A Sn3A Sn7A 58.4(3) . . ?
Sn6 Sn3A Sn2 65.18(16) . . ?
Sn6A Sn3A Sn2 62.72(19) . . ?
Sn7 Sn3A Sn2 112.0(2) . . ?
Sn4A Sn3A Sn2 91.9(3) . . ?
Sn7A Sn3A Sn2 108.9(3) . . ?
Sn6 Sn3A Sn4 106.1(3) . . ?
Sn6A Sn3A Sn4 108.1(3) . . ?
Sn7 Sn3A Sn4 59.1(2) . . ?
Sn4A Sn3A Sn4 7.9(3) . . ?
Sn7A Sn3A Sn4 65.6(2) . . ?
Sn2 Sn3A Sn4 92.6(2) . . ?
Sn6 Sn3A Sn1 115.8(3) . . ?
Sn6A Sn3A Sn1 114.4(3) . . ?
Sn7 Sn3A Sn1 114.6(3) . . ?
Sn4A Sn3A Sn1 63.7(3) . . ?
Sn7A Sn3A Sn1 119.2(3) . . ?
Sn2 Sn3A Sn1 55.42(15) . . ?
Sn4 Sn3A Sn1 58.28(16) . . ?
Sn7 Sn4A Sn8 67.7(3) . . ?
Sn7 Sn4A Sn3 68.6(2) . . ?
Sn8 Sn4A Sn3 111.6(3) . . ?
Sn7 Sn4A Sn7A 5.09(19) . . ?
Sn8 Sn4A Sn7A 64.1(3) . . ?
Sn3 Sn4A Sn7A 67.9(2) . . ?
Sn7 Sn4A Sn3A 62.9(3) . . ?
Sn8 Sn4A Sn3A 103.3(3) . . ?
Sn3 Sn4A Sn3A 8.39(17) . . ?
Sn7A Sn4A Sn3A 61.6(3) . . ?
Sn7 Sn4A Sn1 121.8(3) . . ?
Sn8 Sn4A Sn1 113.9(3) . . ?
Sn3 Sn4A Sn1 56.9(2) . . ?
Sn7A Sn4A Sn1 119.2(3) . . ?
Sn3A Sn4A Sn1 60.4(2) . . ?
Sn7 Sn4A Sn5 113.6(3) . . ?
Sn8 Sn4A Sn5 63.4(2) . . ?
Sn3 Sn4A Sn5 90.9(3) . . ?
Sn7A Sn4A Sn5 108.5(3) . . ?
Sn3A Sn4A Sn5 87.9(3) . . ?
Sn1 Sn4A Sn5 53.26(18) . . ?
Zn1 Sn6A Sn3A 109.0(2) . . ?
Zn1 Sn6A Sn9 61.96(12) . . ?
Sn3A Sn6A Sn9 100.7(3) . . ?
Zn1 Sn6A Sn7A 53.73(17) . . ?
Sn3A Sn6A Sn7A 60.7(2) . . ?
Sn9 Sn6A Sn7A 93.61(18) . . ?
Zn1 Sn6A Sn2 114.5(2) . . ?
Sn3A Sn6A Sn2 61.4(2) . . ?
Sn9 Sn6A Sn2 58.10(14) . . ?
Sn7A Sn6A Sn2 106.3(2) . . ?
Zn1 Sn6A Sn3 108.26(14) . . ?
Sn3A Sn6A Sn3 1.3(2) . . ?
Sn9 Sn6A Sn3 99.49(19) . . ?
Sn7A Sn6A Sn3 60.38(18) . . ?
Sn2 Sn6A Sn3 60.65(15) . . ?
Zn1 Sn6A Sn7 57.35(13) . . ?
Sn3A Sn6A Sn7 55.40(19) . . ?
Sn9 Sn6A Sn7 92.18(14) . . ?
Sn7A Sn6A Sn7 5.8(2) . . ?
Sn2 Sn6A Sn7 100.78(17) . . ?
Sn3 Sn6A Sn7 55.06(14) . . ?
Zn1 Sn7A Sn6 60.68(15) . . ?
Zn1 Sn7A Sn4A 106.6(3) . . ?
Sn6 Sn7A Sn4A 94.1(3) . . ?
Zn1 Sn7A Sn8 56.75(13) . . ?
Sn6 Sn7A Sn8 86.96(18) . . ?
Sn4A Sn7A Sn8 54.0(3) . . ?
Zn1 Sn7A Sn3A 107.4(2) . . ?
Sn6 Sn7A Sn3A 51.49(17) . . ?
Sn4A Sn7A Sn3A 60.0(3) . . ?
Sn8 Sn7A Sn3A 95.3(3) . . ?
Zn1 Sn7A Sn6A 56.22(15) . . ?
Sn6 Sn7A Sn6A 4.9(2) . . ?
Sn4A Sn7A Sn6A 97.4(3) . . ?
Sn8 Sn7A Sn6A 85.97(19) . . ?
Sn3A Sn7A Sn6A 56.4(2) . . ?
Zn1 Sn7A Sn3 113.2(2) . . ?
Sn6 Sn7A Sn3 58.53(17) . . ?
Sn4A Sn7A Sn3 55.1(3) . . ?
Sn8 Sn7A Sn3 95.0(2) . . ?
Sn3A Sn7A Sn3 7.14(15) . . ?
Sn6A Sn7A Sn3 63.5(2) . . ?
Zn1 Sn7A Sn4 110.1(2) . . ?
Sn6 Sn7A Sn4 94.8(2) . . ?
Sn4A Sn7A Sn4 3.7(3) . . ?
Sn8 Sn7A Sn4 57.69(15) . . ?
Sn3A Sn7A Sn4 58.22(19) . . ?
Sn6A Sn7A Sn4 98.4(3) . . ?
Sn3 Sn7A Sn4 53.03(15) . . ?
C1 Zn1 Sn7A 128.1(4) . . ?
C1 Zn1 Sn8 133.0(4) . . ?
Sn7A Zn1 Sn8 67.92(14) . . ?
C1 Zn1 Sn6A 127.2(4) . . ?
Sn7A Zn1 Sn6A 70.04(17) . . ?
Sn8 Zn1 Sn6A 99.53(15) . . ?
C1 Zn1 Sn6 133.2(4) . . ?
Sn7A Zn1 Sn6 62.2(2) . . ?
Sn8 Zn1 Sn6 93.85(13) . . ?
Sn6A Zn1 Sn6 8.14(18) . . ?
C1 Zn1 Sn9 127.6(4) . . ?
Sn7A Zn1 Sn9 104.23(18) . . ?
Sn8 Zn1 Sn9 65.79(4) . . ?
Sn6A Zn1 Sn9 62.93(15) . . ?
Sn6 Zn1 Sn9 64.98(9) . . ?
C1 Zn1 Sn7 131.5(4) . . ?
Sn7A Zn1 Sn7 5.48(19) . . ?
Sn8 Zn1 Sn7 62.45(11) . . ?
Sn6A Zn1 Sn7 71.73(12) . . ?
Sn6 Zn1 Sn7 63.73(14) . . ?
Sn9 Zn1 Sn7 100.91(9) . . ?
C2 C1 C6 110.6(14) . . ?
C2 C1 Zn1 122.2(11) . . ?
C6 C1 Zn1 127.2(10) . . ?
C1 C2 C3 121.8(14) . . ?
C1 C2 C7 116.4(15) . . ?
C3 C2 C7 121.9(13) . . ?
C4 C3 C2 126.4(14) . . ?
C4 C3 H3 116.8 . . ?
C2 C3 H3 116.8 . . ?
C5 C4 C3 111.9(17) . . ?
C5 C4 C8 121.8(17) . . ?
C3 C4 C8 126.2(16) . . ?
C4 C5 C6 121.5(15) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C5 127.5(13) . . ?
C1 C6 C9 115.0(15) . . ?
C5 C6 C9 117.2(14) . . ?
C6 C9 H9C 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9C C9 H9B 109.5 . . ?
C6 C9 H9A 109.5 . . ?
H9C C9 H9A 109.5 . . ?
H9B C9 H9A 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
H8C C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8C C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C103 O11 C102 114.0(9) . . ?
C105 O12 C104 107.6(9) . . ?
C108 O13 C109 107.7(8) . . ?
C111 O14 C110 116.5(10) . . ?
C115 O15 C114 113.9(11) . . ?
C116 O16 C117 110.6(11) . . ?
C113 N11 C107 103.7(10) . . ?
C113 N11 C101 107.0(11) . . ?
C107 N11 C101 115.8(9) . . ?
C106 N12 C118 102.8(12) . . ?
C106 N12 C112 113.4(10) . . ?
C118 N12 C112 114.3(14) . . ?
C102 C101 N11 113.2(10) . . ?
C102 C101 H10A 108.9 . . ?
N11 C101 H10A 108.9 . . ?
C102 C101 H10B 108.9 . . ?
N11 C101 H10B 108.9 . . ?
H10A C101 H10B 107.8 . . ?
C101 C102 O11 111.0(10) . . ?
C101 C102 H10C 109.4 . . ?
O11 C102 H10C 109.4 . . ?
C101 C102 H10D 109.4 . . ?
O11 C102 H10D 109.4 . . ?
H10C C102 H10D 108.0 . . ?
O11 C103 C104 113.9(9) . . ?
O11 C103 H10E 108.8 . . ?
C104 C103 H10E 108.8 . . ?
O11 C103 H10F 108.8 . . ?
C104 C103 H10F 108.8 . . ?
H10E C103 H10F 107.7 . . ?
O12 C104 C103 106.1(8) . . ?
O12 C104 H10G 110.5 . . ?
C103 C104 H10G 110.5 . . ?
O12 C104 H10H 110.5 . . ?
C103 C104 H10H 110.5 . . ?
H10G C104 H10H 108.7 . . ?
O12 C105 C106 104.2(10) . . ?
O12 C105 H10I 110.9 . . ?
C106 C105 H10I 110.9 . . ?
O12 C105 H10J 110.9 . . ?
C106 C105 H10J 110.9 . . ?
H10I C105 H10J 108.9 . . ?
N12 C106 C105 115.9(10) . . ?
N12 C106 H10K 108.3 . . ?
C105 C106 H10K 108.3 . . ?
N12 C106 H10L 108.3 . . ?
C105 C106 H10L 108.3 . . ?
H10K C106 H10L 107.4 . . ?
N11 C107 C108 117.6(11) . . ?
N11 C107 H10M 107.9 . . ?
C108 C107 H10M 107.9 . . ?
N11 C107 H10N 107.9 . . ?
C108 C107 H10N 107.9 . . ?
H10M C107 H10N 107.2 . . ?
O13 C108 C107 104.8(9) . . ?
O13 C108 H10O 110.8 . . ?
C107 C108 H10O 110.8 . . ?
O13 C108 H10P 110.8 . . ?
C107 C108 H10P 110.8 . . ?
H10O C108 H10P 108.9 . . ?
O13 C109 C110 105.0(9) . . ?
O13 C109 H10Q 110.7 . . ?
C110 C109 H10Q 110.7 . . ?
O13 C109 H10R 110.7 . . ?
C110 C109 H10R 110.7 . . ?
H10Q C109 H10R 108.8 . . ?
O14 C110 C109 115.2(9) . . ?
O14 C110 H11A 108.5 . . ?
C109 C110 H11A 108.5 . . ?
O14 C110 H11B 108.5 . . ?
C109 C110 H11B 108.5 . . ?
H11A C110 H11B 107.5 . . ?
O14 C111 C112 112.7(11) . . ?
O14 C111 H11C 109.0 . . ?
C112 C111 H11C 109.0 . . ?
O14 C111 H11D 109.0 . . ?
C112 C111 H11D 109.0 . . ?
H11C C111 H11D 107.8 . . ?
C111 C112 N12 119.1(12) . . ?
C111 C112 H11E 107.6 . . ?
N12 C112 H11E 107.6 . . ?
C111 C112 H11F 107.6 . . ?
N12 C112 H11F 107.6 . . ?
H11E C112 H11F 107.0 . . ?
N11 C113 C114 109.2(11) . . ?
N11 C113 H11G 109.8 . . ?
C114 C113 H11G 109.8 . . ?
N11 C113 H11H 109.8 . . ?
C114 C113 H11H 109.8 . . ?
H11G C113 H11H 108.3 . . ?
O15 C114 C113 111.3(11) . . ?
O15 C114 H11I 109.4 . . ?
C113 C114 H11I 109.4 . . ?
O15 C114 H11J 109.4 . . ?
C113 C114 H11J 109.4 . . ?
H11I C114 H11J 108.0 . . ?
O15 C115 C116 112.6(10) . . ?
O15 C115 H11K 109.1 . . ?
C116 C115 H11K 109.1 . . ?
O15 C115 H11L 109.1 . . ?
C116 C115 H11L 109.1 . . ?
H11K C115 H11L 107.8 . . ?
O16 C116 C115 107.6(11) . . ?
O16 C116 H11M 110.2 . . ?
C115 C116 H11M 110.2 . . ?
O16 C116 H11N 110.2 . . ?
C115 C116 H11N 110.2 . . ?
H11M C116 H11N 108.5 . . ?
O16 C117 C118 111.8(14) . . ?
O16 C117 H11O 109.2 . . ?
C118 C117 H11O 109.2 . . ?
O16 C117 H11P 109.3 . . ?
C118 C117 H11P 109.3 . . ?
H11O C117 H11P 107.9 . . ?
C117 C118 N12 106.9(15) . . ?
C117 C118 H11Q 110.3 . . ?
N12 C118 H11Q 110.3 . . ?
C117 C118 H11R 110.3 . . ?
N12 C118 H11R 110.3 . . ?
H11Q C118 H11R 108.6 . . ?
C203 O21 C202 108.1(17) . . ?
C205 O22 C204 116.8(16) . . ?
C208 O23 C209 116.5(15) . . ?
C210 O24 C211 109(2) . . ?
C215 O25 C214 114.3(18) . . ?
C216 O26 C217 107.6(17) . . ?
C207 N21 C213 115.1(17) . . ?
C207 N21 C201 110(2) . . ?
C213 N21 C201 107.3(15) . . ?
C212 N22 C206 102.7(19) . . ?
C212 N22 C218 103(2) . . ?
C206 N22 C218 120(2) . . ?
C202 C201 N21 109.6(15) . . ?
C202 C201 H20A 109.7 . . ?
N21 C201 H20A 109.7 . . ?
C202 C201 H20B 109.7 . . ?
N21 C201 H20B 109.7 . . ?
H20A C201 H20B 108.2 . . ?
C201 C202 O21 102(2) . . ?
C201 C202 H20C 111.5 . . ?
O21 C202 H20C 111.5 . . ?
C201 C202 H20D 111.5 . . ?
O21 C202 H20D 111.5 . . ?
H20C C202 H20D 109.3 . . ?
O21 C203 C204 103.0(16) . . ?
O21 C203 H20E 111.2 . . ?
C204 C203 H20E 111.2 . . ?
O21 C203 H20F 111.2 . . ?
C204 C203 H20F 111.2 . . ?
H20E C203 H20F 109.1 . . ?
O22 C204 C203 111.4(15) . . ?
O22 C204 H20G 109.3 . . ?
C203 C204 H20G 109.3 . . ?
O22 C204 H20H 109.3 . . ?
C203 C204 H20H 109.3 . . ?
H20G C204 H20H 108.0 . . ?
O22 C205 C206 117.3(18) . . ?
O22 C205 H20I 108.0 . . ?
C206 C205 H20I 108.0 . . ?
O22 C205 H20J 108.0 . . ?
C206 C205 H20J 108.0 . . ?
H20I C205 H20J 107.2 . . ?
N22 C206 C205 108(2) . . ?
N22 C206 H20K 110.2 . . ?
C205 C206 H20K 110.2 . . ?
N22 C206 H20L 110.2 . . ?
C205 C206 H20L 110.2 . . ?
H20K C206 H20L 108.5 . . ?
N21 C207 C208 105(2) . . ?
N21 C207 H20M 110.8 . . ?
C208 C207 H20M 110.8 . . ?
N21 C207 H20N 110.8 . . ?
C208 C207 H20N 110.8 . . ?
H20M C207 H20N 108.8 . . ?
O23 C208 C207 117.0(17) . . ?
O23 C208 H20O 108.1 . . ?
C207 C208 H20O 108.1 . . ?
O23 C208 H20P 108.1 . . ?
C207 C208 H20P 108.1 . . ?
H20O C208 H20P 107.3 . . ?
O23 C209 C210 110.1(16) . . ?
O23 C209 H20Q 109.6 . . ?
C210 C209 H20Q 109.6 . . ?
O23 C209 H20R 109.6 . . ?
C210 C209 H20R 109.6 . . ?
H20Q C209 H20R 108.2 . . ?
O24 C210 C209 112.8(18) . . ?
O24 C210 H21A 109.0 . . ?
C209 C210 H21A 109.0 . . ?
O24 C210 H21B 109.0 . . ?
C209 C210 H21B 109.0 . . ?
H21A C210 H21B 107.8 . . ?
O24 C211 C212 105.0(19) . . ?
O24 C211 H21C 110.7 . . ?
C212 C211 H21C 110.7 . . ?
O24 C211 H21D 110.7 . . ?
C212 C211 H21D 110.7 . . ?
H21C C211 H21D 108.8 . . ?
N22 C212 C211 103.5(17) . . ?
N22 C212 H21E 111.1 . . ?
C211 C212 H21E 111.1 . . ?
N22 C212 H21F 111.1 . . ?
C211 C212 H21F 111.1 . . ?
H21E C212 H21F 109.0 . . ?
N21 C213 C214 120.2(16) . . ?
N21 C213 H21G 107.3 . . ?
C214 C213 H21G 107.3 . . ?
N21 C213 H21H 107.3 . . ?
C214 C213 H21H 107.3 . . ?
H21G C213 H21H 106.9 . . ?
O25 C214 C213 111.8(16) . . ?
O25 C214 H21I 109.3 . . ?
C213 C214 H21I 109.3 . . ?
O25 C214 H21J 109.3 . . ?
C213 C214 H21J 109.3 . . ?
H21I C214 H21J 107.9 . . ?
O25 C215 C216 107.1(17) . . ?
O25 C215 H21K 110.3 . . ?
C216 C215 H21K 110.3 . . ?
O25 C215 H21L 110.3 . . ?
C216 C215 H21L 110.3 . . ?
H21K C215 H21L 108.5 . . ?
O26 C216 C215 109.0(18) . . ?
O26 C216 H21M 109.9 . . ?
C215 C216 H21M 109.9 . . ?
O26 C216 H21N 109.9 . . ?
C215 C216 H21N 109.9 . . ?
H21M C216 H21N 108.3 . . ?
O26 C217 C218 109.0(19) . . ?
O26 C217 H21O 109.9 . . ?
C218 C217 H21O 109.9 . . ?
O26 C217 H21P 109.9 . . ?
C218 C217 H21P 109.9 . . ?
H21O C217 H21P 108.3 . . ?
N22 C218 C217 109(2) . . ?
N22 C218 H21Q 110.0 . . ?
C217 C218 H21Q 110.0 . . ?
N22 C218 H21R 110.0 . . ?
C217 C218 H21R 110.0 . . ?
H21Q C218 H21R 108.3 . . ?
C302 O31 C303 113.5(12) . . ?
C304 O32 C305 115.8(10) . . ?
C309 O33 C308 112.2(10) . . ?
C311 O34 C310 116.1(9) . . ?
C315 O35 C314 119.7(10) . . ?
C316 O36 C317 108.9(9) . . ?
C301 N31 C313 102.9(14) . . ?
C301 N31 C307 109.7(13) . . ?
C313 N31 C307 112.3(12) . . ?
C318 N32 C306 101.5(8) . . ?
C318 N32 C312 109.8(9) . . ?
C306 N32 C312 115.7(9) . . ?
N31 C301 C302 110.0(14) . . ?
N31 C301 H30A 109.7 . . ?
C302 C301 H30A 109.7 . . ?
N31 C301 H30B 109.7 . . ?
C302 C301 H30B 109.7 . . ?
H30A C301 H30B 108.2 . . ?
O31 C302 C301 110.2(13) . . ?
O31 C302 H30C 109.6 . . ?
C301 C302 H30C 109.6 . . ?
O31 C302 H30D 109.6 . . ?
C301 C302 H30D 109.6 . . ?
H30C C302 H30D 108.1 . . ?
C304 C303 O31 111.5(12) . . ?
C304 C303 H30E 109.3 . . ?
O31 C303 H30E 109.3 . . ?
C304 C303 H30F 109.3 . . ?
O31 C303 H30F 109.3 . . ?
H30E C303 H30F 108.0 . . ?
O32 C304 C303 113.5(13) . . ?
O32 C304 H30G 108.9 . . ?
C303 C304 H30G 108.9 . . ?
O32 C304 H30H 108.9 . . ?
C303 C304 H30H 108.9 . . ?
H30G C304 H30H 107.7 . . ?
O32 C305 C306 114.4(9) . . ?
O32 C305 H30I 108.7 . . ?
C306 C305 H30I 108.7 . . ?
O32 C305 H30J 108.7 . . ?
C306 C305 H30J 108.7 . . ?
H30I C305 H30J 107.6 . . ?
C305 C306 N32 106.0(9) . . ?
C305 C306 H30K 110.5 . . ?
N32 C306 H30K 110.5 . . ?
C305 C306 H30L 110.5 . . ?
N32 C306 H30L 110.5 . . ?
H30K C306 H30L 108.7 . . ?
C308 C307 N31 114.2(11) . . ?
C308 C307 H30M 108.7 . . ?
N31 C307 H30M 108.7 . . ?
C308 C307 H30N 108.7 . . ?
N31 C307 H30N 108.7 . . ?
H30M C307 H30N 107.6 . . ?
O33 C308 C307 109.2(11) . . ?
O33 C308 H30O 109.8 . . ?
C307 C308 H30O 109.8 . . ?
O33 C308 H30P 109.8 . . ?
C307 C308 H30P 109.8 . . ?
H30O C308 H30P 108.3 . . ?
O33 C309 C310 112.1(10) . . ?
O33 C309 H30Q 109.2 . . ?
C310 C309 H30Q 109.2 . . ?
O33 C309 H30R 109.2 . . ?
C310 C309 H30R 109.2 . . ?
H30Q C309 H30R 107.9 . . ?
C309 C310 O34 114.1(10) . . ?
C309 C310 H31A 108.7 . . ?
O34 C310 H31A 108.7 . . ?
C309 C310 H31B 108.7 . . ?
O34 C310 H31B 108.7 . . ?
H31A C310 H31B 107.6 . . ?
O34 C311 C312 113.6(10) . . ?
O34 C311 H31C 108.8 . . ?
C312 C311 H31C 108.8 . . ?
O34 C311 H31D 108.8 . . ?
C312 C311 H31D 108.8 . . ?
H31C C311 H31D 107.7 . . ?
N32 C312 C311 117.6(9) . . ?
N32 C312 H31E 107.9 . . ?
C311 C312 H31E 107.9 . . ?
N32 C312 H31F 107.9 . . ?
C311 C312 H31F 107.9 . . ?
H31E C312 H31F 107.2 . . ?
N31 C313 C314 110.5(11) . . ?
N31 C313 H31G 109.5 . . ?
C314 C313 H31G 109.5 . . ?
N31 C313 H31H 109.5 . . ?
C314 C313 H31H 109.5 . . ?
H31G C313 H31H 108.1 . . ?
C313 C314 O35 113.5(11) . . ?
C313 C314 H31I 108.9 . . ?
O35 C314 H31I 108.9 . . ?
C313 C314 H31J 108.9 . . ?
O35 C314 H31J 108.9 . . ?
H31I C314 H31J 107.7 . . ?
O35 C315 C316 116.5(10) . . ?
O35 C315 H31K 108.2 . . ?
C316 C315 H31K 108.2 . . ?
O35 C315 H31L 108.2 . . ?
C316 C315 H31L 108.2 . . ?
H31K C315 H31L 107.3 . . ?
O36 C316 C315 108.1(10) . . ?
O36 C316 H31M 110.1 . . ?
C315 C316 H31M 110.1 . . ?
O36 C316 H31N 110.1 . . ?
C315 C316 H31N 110.1 . . ?
H31M C316 H31N 108.4 . . ?
C318 C317 O36 105.2(8) . . ?
C318 C317 H31O 110.7 . . ?
O36 C317 H31O 110.7 . . ?
C318 C317 H31P 110.7 . . ?
O36 C317 H31P 110.7 . . ?
H31O C317 H31P 108.8 . . ?
N32 C318 C317 110.7(10) . . ?
N32 C318 H31Q 109.5 . . ?
C317 C318 H31Q 109.5 . . ?
N32 C318 H31R 109.5 . . ?
C317 C318 H31R 109.5 . . ?
H31Q C318 H31R 108.1 . . ?
C2S C1S H1T 109.5 . . ?
C2S C1S H3T 109.5 . . ?
H1T C1S H3T 109.5 . . ?
C2S C1S H2T 109.5 . . ?
H1T C1S H2T 109.5 . . ?
H3T C1S H2T 109.5 . . ?
C7S C2S C3S 120.0 . . ?
C7S C2S C1S 121(2) . . ?
C3S C2S C1S 119(2) . . ?
C4S C3S C2S 120.0 . . ?
C4S C3S H3SA 120.0 . . ?
C2S C3S H3SA 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C7S C6S C5S 120.0 . . ?
C7S C6S H6S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C6S C7S C2S 120.0 . . ?
C6S C7S H7S 120.0 . . ?
C2S C7S H7S 120.0 . . ?
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 Sn2 2.9044(15) . ?
Sn1 Sn5 2.9164(13) . ?
Sn1 Sn3 2.939(4) . ?
Sn1 Sn4 3.056(4) . ?
Sn1 Sn3A 3.153(9) . ?
Sn1 Sn4A 3.250(13) . ?
Sn2 Sn9 2.9757(14) . ?
Sn2 Sn5 2.9896(10) . ?
Sn2 Sn6 3.076(4) . ?
Sn2 Sn3A 3.092(8) . ?
Sn2 Sn6A 3.131(8) . ?
Sn2 Sn3 3.282(5) . ?
Sn5 Sn9 2.9244(14) . ?
Sn5 Sn8 3.1703(13) . ?
Sn5 Sn4A 3.257(10) . ?
Sn5 Sn4 3.317(5) . ?
Sn8 Sn4A 2.709(12) . ?
Sn8 Zn1 2.719(2) . ?
Sn8 Sn7 2.968(4) . ?
Sn8 Sn7A 3.012(6) . ?
Sn8 Sn4 3.081(5) . ?
Sn8 Sn9 3.0940(11) . ?
Sn9 Zn1 2.9656(17) . ?
Sn9 Sn6A 2.992(6) . ?
Sn9 Sn6 3.089(4) . ?
Sn3 Sn4A 2.888(10) . ?
Sn3 Sn4 2.950(5) . ?
Sn3 Sn6 2.998(5) . ?
Sn3 Sn7 3.110(5) . ?
Sn3 Sn7A 3.263(9) . ?
Sn3 Sn6A 3.358(8) . ?
Sn4 Sn7 2.997(6) . ?
Sn4 Sn3A 3.123(8) . ?
Sn4 Sn7A 3.345(8) . ?
Sn6 Sn3A 2.558(7) . ?
Sn6 Zn1 2.777(4) . ?
Sn6 Sn7A 2.818(8) . ?
Sn6 Sn7 3.049(4) . ?
Sn7 Sn4A 2.620(10) . ?
Sn7 Sn3A 2.951(10) . ?
Sn7 Zn1 2.989(7) . ?
Sn7 Sn6A 3.371(7) . ?
Sn3A Sn6A 2.917(8) . ?
Sn3A Sn4A 3.002(11) . ?
Sn3A Sn7A 3.052(12) . ?
Sn4A Sn7A 2.954(12) . ?
Sn6A Zn1 2.756(6) . ?
Sn6A Sn7A 3.117(7) . ?
Sn7A Zn1 2.673(7) . ?
Zn1 C1 2.087(16) . ?
C1 C2 1.355(17) . ?
C1 C6 1.370(19) . ?
C2 C3 1.46(2) . ?
C2 C7 1.49(2) . ?
C3 C4 1.36(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.34(2) . ?
C4 C8 1.67(3) . ?
C5 C6 1.44(2) . ?
C5 H5 0.9500 . ?
C6 C9 1.47(2) . ?
C9 H9C 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9A 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
O11 C103 1.360(12) . ?
O11 C102 1.443(14) . ?
O12 C105 1.420(14) . ?
O12 C104 1.452(13) . ?
O13 C108 1.419(14) . ?
O13 C109 1.439(13) . ?
O14 C111 1.433(15) . ?
O14 C110 1.454(15) . ?
O15 C115 1.399(16) . ?
O15 C114 1.434(17) . ?
O16 C116 1.317(13) . ?
O16 C117 1.383(17) . ?
N11 C113 1.371(14) . ?
N11 C107 1.530(15) . ?
N11 C101 1.541(15) . ?
N12 C106 1.413(15) . ?
N12 C118 1.434(17) . ?
N12 C112 1.53(2) . ?
C101 C102 1.424(16) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C103 C104 1.491(16) . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C104 H10G 0.9900 . ?
C104 H10H 0.9900 . ?
C105 C106 1.549(19) . ?
C105 H10I 0.9900 . ?
C105 H10J 0.9900 . ?
C106 H10K 0.9900 . ?
C106 H10L 0.9900 . ?
C107 C108 1.557(17) . ?
C107 H10M 0.9900 . ?
C107 H10N 0.9900 . ?
C108 H10O 0.9900 . ?
C108 H10P 0.9900 . ?
C109 C110 1.480(18) . ?
C109 H10Q 0.9900 . ?
C109 H10R 0.9900 . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 C112 1.51(2) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 H11E 0.9900 . ?
C112 H11F 0.9900 . ?
C113 C114 1.55(2) . ?
C113 H11G 0.9900 . ?
C113 H11H 0.9900 . ?
C114 H11I 0.9900 . ?
C114 H11J 0.9900 . ?
C115 C116 1.52(2) . ?
C115 H11K 0.9900 . ?
C115 H11L 0.9900 . ?
C116 H11M 0.9900 . ?
C116 H11N 0.9900 . ?
C117 C118 1.40(2) . ?
C117 H11O 0.9900 . ?
C117 H11P 0.9900 . ?
C118 H11Q 0.9900 . ?
C118 H11R 0.9900 . ?
O21 C203 1.363(18) . ?
O21 C202 1.53(3) . ?
O22 C205 1.40(3) . ?
O22 C204 1.44(2) . ?
O23 C208 1.31(2) . ?
O23 C209 1.418(17) . ?
O24 C210 1.40(2) . ?
O24 C211 1.44(2) . ?
O25 C215 1.39(2) . ?
O25 C214 1.50(2) . ?
O26 C216 1.32(2) . ?
O26 C217 1.44(2) . ?
N21 C207 1.40(2) . ?
N21 C213 1.43(2) . ?
N21 C201 1.47(2) . ?
N22 C212 1.46(2) . ?
N22 C206 1.47(3) . ?
N22 C218 1.48(3) . ?
C201 C202 1.47(3) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C203 C204 1.48(3) . ?
C203 H20E 0.9900 . ?
C203 H20F 0.9900 . ?
C204 H20G 0.9900 . ?
C204 H20H 0.9900 . ?
C205 C206 1.56(3) . ?
C205 H20I 0.9900 . ?
C205 H20J 0.9900 . ?
C206 H20K 0.9900 . ?
C206 H20L 0.9900 . ?
C207 C208 1.47(3) . ?
C207 H20M 0.9900 . ?
C207 H20N 0.9900 . ?
C208 H20O 0.9900 . ?
C208 H20P 0.9900 . ?
C209 C210 1.45(3) . ?
C209 H20Q 0.9900 . ?
C209 H20R 0.9900 . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C211 C212 1.64(3) . ?
C211 H21C 0.9900 . ?
C211 H21D 0.9900 . ?
C212 H21E 0.9900 . ?
C212 H21F 0.9900 . ?
C213 C214 1.60(3) . ?
C213 H21G 0.9900 . ?
C213 H21H 0.9900 . ?
C214 H21I 0.9900 . ?
C214 H21J 0.9900 . ?
C215 C216 1.66(3) . ?
C215 H21K 0.9900 . ?
C215 H21L 0.9900 . ?
C216 H21M 0.9900 . ?
C216 H21N 0.9900 . ?
C217 C218 1.51(3) . ?
C217 H21O 0.9900 . ?
C217 H21P 0.9900 . ?
C218 H21Q 0.9900 . ?
C218 H21R 0.9900 . ?
O31 C302 1.403(18) . ?
O31 C303 1.494(16) . ?
O32 C304 1.358(15) . ?
O32 C305 1.463(15) . ?
O33 C309 1.427(14) . ?
O33 C308 1.450(15) . ?
O34 C311 1.471(14) . ?
O34 C310 1.501(12) . ?
O35 C315 1.393(16) . ?
O35 C314 1.508(16) . ?
O36 C316 1.384(14) . ?
O36 C317 1.487(14) . ?
N31 C301 1.391(17) . ?
N31 C313 1.40(2) . ?
N31 C307 1.554(17) . ?
N32 C318 1.411(13) . ?
N32 C306 1.475(13) . ?
N32 C312 1.475(14) . ?
C301 C302 1.56(2) . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C303 C304 1.44(2) . ?
C303 H30E 0.9900 . ?
C303 H30F 0.9900 . ?
C304 H30G 0.9900 . ?
C304 H30H 0.9900 . ?
C305 C306 1.470(16) . ?
C305 H30I 0.9900 . ?
C305 H30J 0.9900 . ?
C306 H30K 0.9900 . ?
C306 H30L 0.9900 . ?
C307 C308 1.461(19) . ?
C307 H30M 0.9900 . ?
C307 H30N 0.9900 . ?
C308 H30O 0.9900 . ?
C308 H30P 0.9900 . ?
C309 C310 1.465(18) . ?
C309 H30Q 0.9900 . ?
C309 H30R 0.9900 . ?
C310 H31A 0.9900 . ?
C310 H31B 0.9900 . ?
C311 C312 1.543(16) . ?
C311 H31C 0.9900 . ?
C311 H31D 0.9900 . ?
C312 H31E 0.9900 . ?
C312 H31F 0.9900 . ?
C313 C314 1.50(2) . ?
C313 H31G 0.9900 . ?
C313 H31H 0.9900 . ?
C314 H31I 0.9900 . ?
C314 H31J 0.9900 . ?
C315 C316 1.57(2) . ?
C315 H31K 0.9900 . ?
C315 H31L 0.9900 . ?
C316 H31M 0.9900 . ?
C316 H31N 0.9900 . ?
C317 C318 1.465(16) . ?
C317 H31O 0.9900 . ?
C317 H31P 0.9900 . ?
C318 H31Q 0.9900 . ?
C318 H31R 0.9900 . ?
C1S C2S 1.66(3) . ?
C1S H1T 0.9800 . ?
C1S H3T 0.9800 . ?
C1S H2T 0.9800 . ?
C2S C7S 1.351 . ?
C2S C3S 1.351 . ?
C3S C4S 1.351 . ?
C3S H3SA 0.9500 . ?
C4S C5S 1.351 . ?
C4S H4S 0.9500 . ?
C5S C6S 1.351 . ?
C5S H5S 0.9500 . ?
C6S C7S 1.351 . ?
C6S H6S 0.9500 . ?
C7S H7S 0.9500 . ?
