#------------------------------------------------------------------------------
#$Date: 2019-03-12 01:19:17 +0200 (Tue, 12 Mar 2019) $
#$Revision: 214073 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/07/1550734.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_1550734
loop_
_publ_author_name
'Liu, Chao'
'Jin, Xiao'
'Li, Leijiao'
'Xu, Jun'
'McGrady, John E.'
'Sun, Zhong-Ming'
_publ_section_title
;
 Synthesis and Structure of a Family of Rhodium Polystannide Clusters
 [Rh@Sn10]3--, [Rh@Sn12]3--, [Rh2@Sn17]6-- and the First Triply-Fused
 Stannide, [Rh3@Sn24]5--
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC03948H
_journal_year                    2019
_chemical_formula_moiety
'C26.5 H66 K4 N9.5 O6 Rh2 Sn17, C36 H72 K2 N4 O12'
_chemical_formula_sum            'C62 H140 K6 N14 O18 Rh2 Sn17'
_chemical_formula_weight         3828.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-05-23
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_audit_update_record
;
2018-06-02 deposited with the CCDC.    2019-03-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.8280(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.5558(14)
_cell_length_b                   16.1668(10)
_cell_length_c                   33.205(2)
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    120
_cell_measurement_theta_max      26.08
_cell_measurement_theta_min      2.24
_cell_volume                     11463.7(12)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            70292
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.081
_diffrn_reflns_theta_min         1.580
_exptl_absorpt_coefficient_mu    4.181
_exptl_absorpt_correction_T_max  0.658
_exptl_absorpt_correction_T_min  0.381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1163 before and 0.0491 after correction.
The Ratio of minimum to maximum transmission is 0.5077.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.218
_exptl_crystal_description       plate
_exptl_crystal_F_000             7232
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.944
_refine_diff_density_min         -1.336
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1100
_refine_ls_number_reflns         22633
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      1.484
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0292
_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)+(0.0192P)²+23.0711P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0643
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19154
_reflns_number_total             22633
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc03948h2.cif
_cod_data_source_block           3
_cod_original_cell_volume        11463.6(12)
_cod_database_code               1550734
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H,H) groups
2. Restrained distances
 C58-C61
 1.38 with sigma of 0.01
 N64-H64A
 0.7 with sigma of 0.001
3. Rigid bond restraints
 N65, C60
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C41, C57
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O18, C57
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(C61) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(N11) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C60) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(C2AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.002
5. Others
 Sof(C62A)=1-FVAR(1)
 Sof(C62)=FVAR(1)
 Fixed Sof: N64(0.5) N7(0.5) C63(0.5) H63A(0.5) H63B(0.5) N8(0.5) H8A(0.5)
 H8B(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C1AA(H1AA,H1AB), C2(H2A,H2B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,
 H7B), C8(H8C,H8D), C9(H9A,H9B), C11(H11C,H11D), C12(H12A,H12B), C13(H13A,H13B),
  C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,
 H18B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B),
 C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B),
  C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,
 H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B),
 C37(H37A,H37B), C38(H38A,H38B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B),
  C43(H43A,H43B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C47(H47A,
 H47B), C48(H48A,H48B), C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B),
 C52(H52A,H52B), C53(H53A,H53B), C54(H54A,H54B), C55(H55C,H55D), C56(H56A,H56B),
  C58(H58A,H58B), C59(H59A,H59B), C60(H60A,H60B), C61(H61A,H61B), C2AA(H2AA,
 H2AB), C63(H63A,H63B), C0AA(H0AA,H0AB), C57(H57A,H57B), C39(H39A,H39B)
6.b X=CH2 refined with riding coordinates:
 N1(H1A,H1B), N3(H3A,H3B), N55(H55A,H55B), N88(H88A,H88B), N11(H11A,H11B),
 N64(H64A,H64B), N8(H8A,H8B), N65(H65A,H65B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_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
Sn14 Sn 0.62144(2) 0.64018(2) 0.22979(2) 0.01701(7) Uani 1 1 d . . . . .
Rh1 Rh 0.69547(2) 0.65010(2) 0.39216(2) 0.01085(7) Uani 1 1 d . . . . .
Rh2 Rh 0.53029(2) 0.60320(2) 0.27569(2) 0.01081(7) Uani 1 1 d . . . . .
Sn1 Sn 0.72245(2) 0.74361(2) 0.46079(2) 0.02053(8) Uani 1 1 d . . . . .
Sn2 Sn 0.80717(2) 0.60154(2) 0.43484(2) 0.01885(7) Uani 1 1 d . . . . .
Sn3 Sn 0.79022(2) 0.76345(2) 0.38839(2) 0.01826(7) Uani 1 1 d . . . . .
Sn4 Sn 0.64793(2) 0.80386(2) 0.37479(2) 0.02069(8) Uani 1 1 d . . . . .
Sn5 Sn 0.58124(2) 0.67781(2) 0.41577(2) 0.01814(7) Uani 1 1 d . . . . .
Sn6 Sn 0.67987(2) 0.56620(2) 0.46144(2) 0.02087(8) Uani 1 1 d . . . . .
Sn7 Sn 0.69968(2) 0.48357(2) 0.38256(2) 0.02027(8) Uani 1 1 d . . . . .
Sn8 Sn 0.77521(2) 0.60325(2) 0.34010(2) 0.01829(7) Uani 1 1 d . . . . .
Sn9 Sn 0.62421(2) 0.62671(2) 0.32732(2) 0.01790(7) Uani 1 1 d . . . . .
Sn10 Sn 0.55078(2) 0.76751(2) 0.27099(2) 0.01840(7) Uani 1 1 d . . . . .
Sn11 Sn 0.42259(2) 0.69620(2) 0.27419(2) 0.01741(7) Uani 1 1 d . . . . .
Sn12 Sn 0.47740(2) 0.59075(2) 0.34477(2) 0.01771(7) Uani 1 1 d . . . . .
Sn13 Sn 0.54829(2) 0.45416(2) 0.31182(2) 0.02012(8) Uani 1 1 d . . . . .
Sn15 Sn 0.47879(2) 0.64596(2) 0.19828(2) 0.01907(7) Uani 1 1 d . . . . .
Sn16 Sn 0.42470(2) 0.51281(2) 0.25392(2) 0.02059(8) Uani 1 1 d . . . . .
Sn17 Sn 0.54393(2) 0.48338(2) 0.21860(2) 0.02050(8) Uani 1 1 d . . . . .
K1 K 0.77657(5) 0.29763(7) 0.22167(3) 0.0217(2) Uani 1 1 d . . . . .
K2 K 0.70280(5) 0.44178(7) 0.27088(3) 0.0221(2) Uani 1 1 d . . . . .
K5 K 0.11836(5) 0.58431(6) 0.35591(3) 0.0192(2) Uani 1 1 d . . . . .
K4 K 0.38202(5) 0.08423(7) 0.38210(3) 0.0211(2) Uani 1 1 d . . . . .
K6 K 0.10690(5) 0.85218(6) 0.50145(3) 0.0200(2) Uani 1 1 d . . . . .
O1 O 0.23584(16) 0.5454(2) 0.38868(10) 0.0275(8) Uani 1 1 d . . . . .
O2 O 0.18159(19) 0.8990(2) 0.57402(10) 0.0313(9) Uani 1 1 d . . . . .
O3 O 0.11697(18) 0.7050(2) 0.29365(11) 0.0319(9) Uani 1 1 d . . . . .
O4 O 0.17360(17) 1.0023(2) 0.50514(10) 0.0274(8) Uani 1 1 d . . . . .
O5 O 0.14318(17) 0.5148(2) 0.43529(11) 0.0302(9) Uani 1 1 d . . . . .
O6 O -0.00199(17) 0.8856(2) 0.44728(11) 0.0349(9) Uani 1 1 d . . . . .
O7 O 0.28584(17) -0.0278(2) 0.35278(11) 0.0312(9) Uani 1 1 d . . . . .
O8 O 0.42359(18) 0.0069(2) 0.45873(11) 0.0336(9) Uani 1 1 d . . . . .
O9 O 0.03275(17) 0.7155(2) 0.35188(12) 0.0344(9) Uani 1 1 d . . . . .
O10 O 0.15357(19) 0.6930(2) 0.51091(11) 0.0340(9) Uani 1 1 d . . . . .
O11 O 0.18643(17) 0.7918(2) 0.44576(10) 0.0277(8) Uani 1 1 d . . . . .
O12 O 0.45445(18) 0.1877(2) 0.33658(11) 0.0373(10) Uani 1 1 d . . . . .
O13 O 0.46523(18) 0.0140(3) 0.33465(12) 0.0383(10) Uani 1 1 d . . . . .
O14 O 0.26916(16) 0.1475(2) 0.34102(11) 0.0316(9) Uani 1 1 d . . . . .
O15 O -0.01484(18) 0.8274(3) 0.52607(12) 0.0388(10) Uani 1 1 d . . . . .
O16 O 0.39039(18) 0.1751(2) 0.45328(11) 0.0351(9) Uani 1 1 d . . . . .
O17 O 0.1422(3) 0.4490(3) 0.30900(15) 0.0697(17) Uani 1 1 d . . . . .
O18 O 0.0327(3) 0.4587(3) 0.3462(2) 0.089(2) Uani 1 1 d . U . . .
N1 N 0.7368(2) 0.4599(3) 0.18908(13) 0.0361(12) Uani 1 1 d . . . . .
H1A H 0.7457 0.4095 0.1956 0.043 Uiso 1 1 calc R . . . .
H1B H 0.7000 0.4725 0.1772 0.043 Uiso 1 1 calc R . . . .
N2 N 0.0173(2) 0.5815(3) 0.40809(14) 0.0335(11) Uani 1 1 d . . . . .
N3 N 0.8369(2) 0.4495(3) 0.25872(16) 0.0440(14) Uani 1 1 d . . . . .
H3A H 0.8013 0.4478 0.2677 0.053 Uiso 1 1 calc R . . . .
H3B H 0.8695 0.4286 0.2729 0.053 Uiso 1 1 calc R . . . .
N4 N 0.0949(2) 0.7604(3) 0.57813(13) 0.0351(12) Uani 1 1 d . . . . .
N5 N 0.1173(2) 0.9447(3) 0.42416(12) 0.0294(11) Uani 1 1 d . . . . .
N55 N 0.6468(2) 0.2843(3) 0.23075(17) 0.0454(14) Uani 1 1 d . . . . .
H55A H 0.6567 0.3333 0.2396 0.054 Uiso 1 1 calc R . . . .
H55B H 0.6367 0.2759 0.2051 0.054 Uiso 1 1 calc R . . . .
N88 N 0.7332(3) 0.2766(4) 0.30658(15) 0.069(2) Uani 1 1 d . . . . .
H88A H 0.7552 0.2771 0.2868 0.082 Uiso 1 1 calc R . . . .
H88B H 0.7492 0.2939 0.3302 0.082 Uiso 1 1 calc R . . . .
N11 N 0.6810(6) 0.2107(6) 0.4259(3) 0.171(5) Uani 1 1 d . U . . .
H11A H 0.6709 0.2593 0.4332 0.205 Uiso 1 1 calc R . . . .
H11B H 0.7197 0.1984 0.4254 0.205 Uiso 1 1 calc R . . . .
N64 N 0.5446(4) 0.5074(6) 0.5257(3) 0.036(2) Uani 0.5 1 d D . P . .
H64A H 0.5143 0.4935 0.5074 0.043 Uiso 1 1 calc DR . . A .
H64B H 0.5520 0.5588 0.5310 0.043 Uiso 1 1 calc R . . A .
N13A N 0.22244(19) 0.5927(3) 0.30779(12) 0.0236(9) Uani 1 1 d . . . . .
N14A N 0.3566(2) 0.2701(3) 0.37773(14) 0.0320(11) Uani 1 1 d . . . . .
N15A N 0.4073(2) -0.1017(3) 0.38675(14) 0.0365(12) Uani 1 1 d . . . . .
C1AA C 0.2478(3) 0.4968(3) 0.42441(15) 0.0291(13) Uani 1 1 d . . . . .
H1AA H 0.2628 0.5317 0.4474 0.035 Uiso 1 1 calc R . . . .
H1AB H 0.2799 0.4561 0.4213 0.035 Uiso 1 1 calc R . . . .
C2 C 0.0573(3) 0.9401(4) 0.39739(16) 0.0417(16) Uani 1 1 d . . . . .
H2A H 0.0544 0.8868 0.3839 0.050 Uiso 1 1 calc R . . . .
H2B H 0.0566 0.9824 0.3766 0.050 Uiso 1 1 calc R . . . .
C4 C 0.2270(3) 1.0019(3) 0.53574(18) 0.0355(14) Uani 1 1 d . . . . .
H4A H 0.2467 1.0559 0.5373 0.043 Uiso 1 1 calc R . . . .
H4B H 0.2572 0.9616 0.5289 0.043 Uiso 1 1 calc R . . . .
C5 C 0.0012(3) 0.9511(4) 0.41888(18) 0.0436(16) Uani 1 1 d . . . . .
H5A H 0.0038 1.0037 0.4330 0.052 Uiso 1 1 calc R . . . .
H5B H -0.0365 0.9512 0.3992 0.052 Uiso 1 1 calc R . . . .
C6 C 0.1689(3) 0.8163(3) 0.40492(16) 0.0320(13) Uani 1 1 d . . . . .
H6A H 0.1281 0.7937 0.3947 0.038 Uiso 1 1 calc R . . . .
H6B H 0.1990 0.7954 0.3882 0.038 Uiso 1 1 calc R . . . .
C7 C 0.0792(3) 0.7761(3) 0.29805(18) 0.0400(15) Uani 1 1 d . . . . .
H7A H 0.0702 0.8044 0.2721 0.048 Uiso 1 1 calc R . . . .
H7B H 0.1018 0.8141 0.3174 0.048 Uiso 1 1 calc R . . . .
C8 C 0.2361(3) 0.5092(4) 0.29419(17) 0.0359(14) Uani 1 1 d . . . . .
H8C H 0.2579 0.4785 0.3169 0.043 Uiso 1 1 calc R . . . .
H8D H 0.2637 0.5131 0.2735 0.043 Uiso 1 1 calc R . . . .
C9 C 0.1942(3) 0.7043(3) 0.44821(17) 0.0373(14) Uani 1 1 d . . . . .
H9A H 0.2286 0.6878 0.4340 0.045 Uiso 1 1 calc R . . . .
H9B H 0.1565 0.6772 0.4354 0.045 Uiso 1 1 calc R . . . .
C11 C 0.2728(2) 0.6272(4) 0.33689(16) 0.0347(14) Uani 1 1 d . . . . .
H11C H 0.2598 0.6808 0.3458 0.042 Uiso 1 1 calc R . . . .
H11D H 0.3093 0.6357 0.3232 0.042 Uiso 1 1 calc R . . . .
C12 C 0.4248(3) 0.1400(4) 0.48856(17) 0.0406(15) Uani 1 1 d . . . . .
H12A H 0.4170 0.1709 0.5124 0.049 Uiso 1 1 calc R . . . .
H12B H 0.4692 0.1426 0.4867 0.049 Uiso 1 1 calc R . . . .
C13 C 0.2913(2) 0.5735(4) 0.37390(16) 0.0372(15) Uani 1 1 d . . . . .
H13A H 0.3156 0.5265 0.3667 0.045 Uiso 1 1 calc R . . . .
H13B H 0.3168 0.6050 0.3948 0.045 Uiso 1 1 calc R . . . .
C14 C 0.2198(3) 0.0878(4) 0.33442(18) 0.0400(15) Uani 1 1 d . . . . .
H14A H 0.1869 0.1079 0.3139 0.048 Uiso 1 1 calc R . . . .
H14B H 0.2020 0.0792 0.3594 0.048 Uiso 1 1 calc R . . . .
C15 C 0.4025(3) 0.2608(4) 0.45083(19) 0.0424(16) Uani 1 1 d . . . . .
H15A H 0.4442 0.2693 0.4436 0.051 Uiso 1 1 calc R . . . .
H15B H 0.4008 0.2865 0.4771 0.051 Uiso 1 1 calc R . . . .
C16 C 0.1558(3) 0.8793(4) 0.61047(16) 0.0424(16) Uani 1 1 d . . . . .
H16A H 0.1172 0.9096 0.6112 0.051 Uiso 1 1 calc R . . . .
H16B H 0.1851 0.8947 0.6341 0.051 Uiso 1 1 calc R . . . .
C17 C 0.1872(3) 1.0405(3) 0.46879(17) 0.0356(14) Uani 1 1 d . . . . .
H17A H 0.2237 1.0149 0.4600 0.043 Uiso 1 1 calc R . . . .
H17B H 0.1961 1.0988 0.4736 0.043 Uiso 1 1 calc R . . . .
C18 C 0.0195(3) 0.7512(4) 0.31246(19) 0.0432(16) Uani 1 1 d . . . . .
H18A H -0.0073 0.7991 0.3134 0.052 Uiso 1 1 calc R . . . .
H18B H -0.0022 0.7113 0.2938 0.052 Uiso 1 1 calc R . . . .
C19 C 0.1764(3) 0.7263(4) 0.28280(18) 0.0391(15) Uani 1 1 d . . . . .
H19A H 0.2008 0.7555 0.3051 0.047 Uiso 1 1 calc R . . . .
H19B H 0.1711 0.7626 0.2593 0.047 Uiso 1 1 calc R . . . .
C20 C 0.4969(3) -0.0560(4) 0.3523(2) 0.0471(17) Uani 1 1 d . . . . .
H20A H 0.5198 -0.0415 0.3786 0.057 Uiso 1 1 calc R . . . .
H20B H 0.5267 -0.0755 0.3351 0.057 Uiso 1 1 calc R . . . .
C21 C 0.1668(3) 0.9090(3) 0.40283(17) 0.0372(15) Uani 1 1 d . . . . .
H21A H 0.2071 0.9309 0.4148 0.045 Uiso 1 1 calc R . . . .
H21B H 0.1598 0.9259 0.3746 0.045 Uiso 1 1 calc R . . . .
C22 C 0.1893(3) 0.4545(3) 0.43166(17) 0.0356(14) Uani 1 1 d . . . . .
H22A H 0.1753 0.4177 0.4092 0.043 Uiso 1 1 calc R . . . .
H22B H 0.1967 0.4219 0.4564 0.043 Uiso 1 1 calc R . . . .
C23 C 0.2074(3) 0.9808(3) 0.57555(17) 0.0378(14) Uani 1 1 d . . . . .
H23A H 0.2431 0.9837 0.5966 0.045 Uiso 1 1 calc R . . . .
H23B H 0.1763 1.0201 0.5821 0.045 Uiso 1 1 calc R . . . .
C24 C 0.2103(3) 0.6497(4) 0.27315(16) 0.0371(14) Uani 1 1 d . . . . .
H24A H 0.1857 0.6213 0.2507 0.044 Uiso 1 1 calc R . . . .
H24B H 0.2499 0.6652 0.2645 0.044 Uiso 1 1 calc R . . . .
C25 C 0.4055(3) 0.0530(4) 0.49232(16) 0.0408(15) Uani 1 1 d . . . . .
H25A H 0.4256 0.0300 0.5178 0.049 Uiso 1 1 calc R . . . .
H25B H 0.3605 0.0499 0.4920 0.049 Uiso 1 1 calc R . . . .
C26 C 0.3064(3) -0.1072(4) 0.34161(19) 0.0433(16) Uani 1 1 d . . . . .
H26A H 0.3293 -0.1020 0.3185 0.052 Uiso 1 1 calc R . . . .
H26B H 0.2704 -0.1425 0.3337 0.052 Uiso 1 1 calc R . . . .
C27 C 0.1593(3) 0.6534(4) 0.54925(17) 0.0448(17) Uani 1 1 d . . . . .
H27A H 0.1970 0.6725 0.5660 0.054 Uiso 1 1 calc R . . . .
H27B H 0.1628 0.5941 0.5457 0.054 Uiso 1 1 calc R . . . .
C28 C 0.1318(3) 1.0308(3) 0.43646(16) 0.0328(14) Uani 1 1 d . . . . .
H28A H 0.0954 1.0548 0.4463 0.039 Uiso 1 1 calc R . . . .
H28B H 0.1396 1.0620 0.4127 0.039 Uiso 1 1 calc R . . . .
C29 C 0.3549(3) 0.3000(4) 0.41944(19) 0.0444(16) Uani 1 1 d . . . . .
H29A H 0.3136 0.2898 0.4267 0.053 Uiso 1 1 calc R . . . .
H29B H 0.3616 0.3594 0.4200 0.053 Uiso 1 1 calc R . . . .
C30 C 0.2074(3) 0.6789(4) 0.49187(17) 0.0412(16) Uani 1 1 d . . . . .
H30A H 0.2185 0.6207 0.4937 0.049 Uiso 1 1 calc R . . . .
H30B H 0.2424 0.7105 0.5055 0.049 Uiso 1 1 calc R . . . .
C31 C -0.0218(3) 0.7087(4) 0.3713(2) 0.0440(16) Uani 1 1 d . . . . .
H31A H -0.0536 0.6776 0.3541 0.053 Uiso 1 1 calc R . . . .
H31B H -0.0383 0.7634 0.3754 0.053 Uiso 1 1 calc R . . . .
C32 C -0.0625(3) 0.8172(4) 0.4925(2) 0.0498(18) Uani 1 1 d . . . . .
H32A H -0.1032 0.8163 0.5019 0.060 Uiso 1 1 calc R . . . .
H32B H -0.0567 0.7652 0.4789 0.060 Uiso 1 1 calc R . . . .
C33 C -0.0593(3) 0.8874(5) 0.4637(2) 0.0510(19) Uani 1 1 d . . . . .
H33A H -0.0940 0.8837 0.4418 0.061 Uiso 1 1 calc R . . . .
H33B H -0.0629 0.9393 0.4778 0.061 Uiso 1 1 calc R . . . .
C34 C -0.0066(3) 0.6665(4) 0.4110(2) 0.0458(17) Uani 1 1 d . . . . .
H34A H 0.0245 0.6989 0.4280 0.055 Uiso 1 1 calc R . . . .
H34B H -0.0440 0.6647 0.4242 0.055 Uiso 1 1 calc R . . . .
C35 C 0.4261(3) 0.2654(4) 0.32437(19) 0.0490(17) Uani 1 1 d . . . . .
H35A H 0.3888 0.2564 0.3049 0.059 Uiso 1 1 calc R . . . .
H35B H 0.4551 0.2989 0.3114 0.059 Uiso 1 1 calc R . . . .
C36 C 0.4365(4) -0.1233(4) 0.42803(19) 0.0512(18) Uani 1 1 d . . . . .
H36A H 0.4809 -0.1107 0.4307 0.061 Uiso 1 1 calc R . . . .
H36B H 0.4322 -0.1823 0.4321 0.061 Uiso 1 1 calc R . . . .
C37 C 0.1781(3) 0.4629(4) 0.2773(2) 0.0478(17) Uani 1 1 d . . . . .
H37A H 0.1542 0.4948 0.2559 0.057 Uiso 1 1 calc R . . . .
H37B H 0.1893 0.4106 0.2660 0.057 Uiso 1 1 calc R . . . .
C38 C 0.1435(4) 0.7879(4) 0.61082(17) 0.0480(18) Uani 1 1 d . . . . .
H38A H 0.1821 0.7588 0.6083 0.058 Uiso 1 1 calc R . . . .
H38B H 0.1309 0.7731 0.6368 0.058 Uiso 1 1 calc R . . . .
C40 C 0.2487(3) 0.2238(4) 0.3550(2) 0.0454(16) Uani 1 1 d . . . . .
H40A H 0.2405 0.2180 0.3829 0.055 Uiso 1 1 calc R . . . .
H40B H 0.2099 0.2401 0.3385 0.055 Uiso 1 1 calc R . . . .
C41 C -0.0319(3) 0.5270(4) 0.3879(2) 0.0439(14) Uani 1 1 d . U . . .
H41A H -0.0375 0.4819 0.4063 0.053 Uiso 1 1 calc R . . . .
H41B H -0.0707 0.5581 0.3838 0.053 Uiso 1 1 calc R . . . .
C42 C 0.0422(3) 0.5505(5) 0.44909(19) 0.059(2) Uani 1 1 d . . . . .
H42A H 0.0076 0.5312 0.4624 0.071 Uiso 1 1 calc R . . . .
H42B H 0.0620 0.5959 0.4650 0.071 Uiso 1 1 calc R . . . .
C43 C 0.4732(3) 0.1445(4) 0.30289(18) 0.0475(17) Uani 1 1 d . . . . .
H43A H 0.5005 0.1791 0.2892 0.057 Uiso 1 1 calc R . . . .
H43B H 0.4367 0.1305 0.2836 0.057 Uiso 1 1 calc R . . . .
C44 C 0.3477(3) -0.1454(4) 0.3767(2) 0.0505(18) Uani 1 1 d . . . . .
H44A H 0.3257 -0.1456 0.4003 0.061 Uiso 1 1 calc R . . . .
H44B H 0.3560 -0.2025 0.3701 0.061 Uiso 1 1 calc R . . . .
C45 C 0.4091(3) 0.3094(4) 0.3609(2) 0.0454(16) Uani 1 1 d . . . . .
H45A H 0.4453 0.3108 0.3817 0.055 Uiso 1 1 calc R . . . .
H45B H 0.3979 0.3661 0.3536 0.055 Uiso 1 1 calc R . . . .
C46 C 0.7823(3) 0.5220(4) 0.1977(2) 0.0542(18) Uani 1 1 d . . . . .
H46A H 0.7669 0.5634 0.2150 0.065 Uiso 1 1 calc R . . . .
H46B H 0.7891 0.5488 0.1725 0.065 Uiso 1 1 calc R . . . .
C47 C 0.4081(3) -0.0779(4) 0.46043(19) 0.0454(16) Uani 1 1 d . . . . .
H47A H 0.3630 -0.0846 0.4562 0.055 Uiso 1 1 calc R . . . .
H47B H 0.4241 -0.1002 0.4869 0.055 Uiso 1 1 calc R . . . .
C48 C 0.4509(3) -0.1224(4) 0.35743(19) 0.0477(18) Uani 1 1 d . . . . .
H48A H 0.4267 -0.1340 0.3312 0.057 Uiso 1 1 calc R . . . .
H48B H 0.4735 -0.1724 0.3665 0.057 Uiso 1 1 calc R . . . .
C49 C -0.0197(3) 0.7668(5) 0.5564(2) 0.058(2) Uani 1 1 d . . . . .
H49A H -0.0191 0.7121 0.5444 0.070 Uiso 1 1 calc R . . . .
H49B H -0.0593 0.7734 0.5669 0.070 Uiso 1 1 calc R . . . .
C50 C 0.1039(4) 0.6720(4) 0.56971(18) 0.0489(18) Uani 1 1 d . . . . .
H50A H 0.0668 0.6517 0.5528 0.059 Uiso 1 1 calc R . . . .
H50B H 0.1079 0.6419 0.5952 0.059 Uiso 1 1 calc R . . . .
C51 C 0.6656(4) 0.2448(4) 0.2997(2) 0.059(2) Uani 1 1 d . . . . .
H51A H 0.6615 0.1986 0.3178 0.070 Uiso 1 1 calc R . . . .
H51B H 0.6376 0.2883 0.3062 0.070 Uiso 1 1 calc R . . . .
C52 C 0.0885(3) 0.4820(4) 0.4487(2) 0.0504(19) Uani 1 1 d . . . . .
H52A H 0.0986 0.4589 0.4758 0.060 Uiso 1 1 calc R . . . .
H52B H 0.0712 0.4383 0.4305 0.060 Uiso 1 1 calc R . . . .
C53 C 0.5063(3) 0.0686(5) 0.31777(19) 0.0506(18) Uani 1 1 d . . . . .
H53A H 0.5229 0.0414 0.2955 0.061 Uiso 1 1 calc R . . . .
H53B H 0.5412 0.0827 0.3383 0.061 Uiso 1 1 calc R . . . .
C54 C 0.8421(3) 0.4895(4) 0.2179(3) 0.062(2) Uani 1 1 d . . . . .
H54A H 0.8722 0.5344 0.2219 0.074 Uiso 1 1 calc R . . . .
H54B H 0.8579 0.4490 0.2003 0.074 Uiso 1 1 calc R . . . .
C55 C 0.6473(4) 0.2185(4) 0.2581(2) 0.060(2) Uani 1 1 d . . . . .
H55C H 0.6763 0.1765 0.2512 0.072 Uiso 1 1 calc R . . . .
H55D H 0.6059 0.1940 0.2556 0.072 Uiso 1 1 calc R . . . .
C56 C 0.0324(4) 0.7746(4) 0.5900(2) 0.055(2) Uani 1 1 d . . . . .
H56A H 0.0314 0.8297 0.6015 0.067 Uiso 1 1 calc R . . . .
H56B H 0.0259 0.7354 0.6111 0.067 Uiso 1 1 calc R . . . .
C58 C 0.0843(5) 0.4100(6) 0.2934(3) 0.109(4) Uani 1 1 d D U . . .
H58A H 0.0645 0.4422 0.2705 0.131 Uiso 1 1 calc R . . . .
H58B H 0.0934 0.3558 0.2832 0.131 Uiso 1 1 calc R . . . .
C59 C 0.6313(5) 0.1475(6) 0.4139(3) 0.093(3) Uani 1 1 d . . . . .
H59A H 0.6310 0.1299 0.3859 0.112 Uiso 1 1 calc R . . . .
H59B H 0.6364 0.0996 0.4316 0.112 Uiso 1 1 calc R . . . .
C60 C 0.5766(5) 0.1920(6) 0.4188(3) 0.095(3) Uani 1 1 d . U . . .
H60A H 0.5749 0.2015 0.4475 0.114 Uiso 1 1 calc R . . . .
H60B H 0.5399 0.1604 0.4079 0.114 Uiso 1 1 calc R . . . .
C61 C 0.0432(5) 0.4011(6) 0.3200(3) 0.104(3) Uani 1 1 d D U . . .
H61A H 0.0031 0.3887 0.3041 0.124 Uiso 1 1 calc R . . . .
H61B H 0.0557 0.3518 0.3357 0.124 Uiso 1 1 calc R . . . .
C62 C 0.6180(6) 0.3257(10) 0.5227(3) 0.037(4) Uani 0.56(3) 1 d . U P B 2
N7 N 0.6305(4) 0.3536(5) 0.4819(2) 0.0248(19) Uani 0.5 1 d . . P B 2
C2AA C 0.5770(3) 0.4545(4) 0.54407(17) 0.0334(13) Uani 1 1 d . U . B 1
H2AA H 0.5747 0.4624 0.5728 0.040 Uiso 1 1 calc R . . B 1
H2AB H 0.6200 0.4651 0.5400 0.040 Uiso 1 1 calc R . . B 1
C63 C 0.5655(6) 0.3763(7) 0.5358(3) 0.030(2) Uani 0.5 1 d . U P B 1
H63A H 0.5376 0.3587 0.5548 0.036 Uiso 0.5 1 calc R . P B 1
H63B H 0.6048 0.3480 0.5440 0.036 Uiso 0.5 1 calc R . P B 1
N8 N 0.5393(5) 0.3382(7) 0.4959(3) 0.048(3) Uani 0.5 1 d . . P B 1
H8A H 0.5300 0.3690 0.4748 0.058 Uiso 0.5 1 calc R . P B 1
H8B H 0.5337 0.2856 0.4941 0.058 Uiso 0.5 1 calc R . P B 1
C0AA C 0.2445(3) 0.0090(4) 0.32099(17) 0.0370(14) Uani 1 1 d . . . . .
H0AA H 0.2101 -0.0285 0.3125 0.044 Uiso 1 1 calc R . . . .
H0AB H 0.2666 0.0189 0.2979 0.044 Uiso 1 1 calc R . . . .
C57 C -0.0226(4) 0.4933(5) 0.3510(2) 0.0688(18) Uani 1 1 d . U . . .
H57A H -0.0546 0.4515 0.3442 0.083 Uiso 1 1 calc R . . . .
H57B H -0.0306 0.5366 0.3307 0.083 Uiso 1 1 calc R . . . .
C39 C 0.2972(3) 0.2891(4) 0.3527(2) 0.0467(16) Uani 1 1 d . . . . .
H39A H 0.3044 0.2953 0.3247 0.056 Uiso 1 1 calc R . . . .
H39B H 0.2816 0.3414 0.3615 0.056 Uiso 1 1 calc R . . . .
N65 N 0.5774(4) 0.2787(5) 0.3955(2) 0.113(3) Uani 1 1 d . U . . .
H65A H 0.6083 0.2909 0.3827 0.136 Uiso 1 1 calc R . . . .
H65B H 0.5469 0.3129 0.3957 0.136 Uiso 1 1 calc R . . . .
C62A C 0.5964(6) 0.3699(10) 0.5186(4) 0.025(5) Uani 0.44(3) 1 d . . P B 3
K3 K 0.53583(6) 0.44065(8) 0.42338(4) 0.0342(3) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
Rh2 Sn14 Sn9 48.650(11) . .
Rh2 Sn14 Sn10 56.170(11) . .
Rh2 Sn14 Sn15 55.748(11) . .
Rh2 Sn14 Sn17 56.979(11) . .
Rh2 Sn14 K1 110.46(2) . 2_655
Rh2 Sn14 K2 86.943(19) . .
Sn9 Sn14 K1 70.898(18) . 2_655
Sn9 Sn14 K2 68.967(17) . .
Sn10 Sn14 Sn9 62.054(10) . .
Sn10 Sn14 Sn15 65.969(11) . .
Sn10 Sn14 Sn17 108.915(14) . .
Sn10 Sn14 K1 68.13(2) . 2_655
Sn10 Sn14 K2 130.598(19) . .
Sn15 Sn14 Sn9 102.769(12) . .
Sn15 Sn14 K1 130.16(2) . 2_655
Sn15 Sn14 K2 122.02(2) . .
Sn17 Sn14 Sn9 90.064(12) . .
Sn17 Sn14 Sn15 58.725(11) . .
Sn17 Sn14 K1 159.99(2) . 2_655
Sn17 Sn14 K2 63.886(19) . .
K1 Sn14 K2 102.21(3) 2_655 .
Sn1 Rh1 Sn2 69.779(13) . .
Sn1 Rh1 Sn3 66.132(13) . .
Sn2 Rh1 Sn3 67.026(13) . .
Sn4 Rh1 Sn1 72.682(14) . .
Sn4 Rh1 Sn2 130.636(16) . .
Sn4 Rh1 Sn3 69.108(13) . .
Sn4 Rh1 Sn5 65.238(13) . .
Sn4 Rh1 Sn6 123.121(16) . .
Sn5 Rh1 Sn1 76.505(13) . .
Sn5 Rh1 Sn2 131.660(16) . .
Sn5 Rh1 Sn3 127.458(16) . .
Sn5 Rh1 Sn6 67.594(13) . .
Sn6 Rh1 Sn1 66.957(13) . .
Sn6 Rh1 Sn2 67.787(13) . .
Sn6 Rh1 Sn3 123.024(16) . .
Sn7 Rh1 Sn1 129.827(16) . .
Sn7 Rh1 Sn2 74.643(13) . .
Sn7 Rh1 Sn3 128.072(16) . .
Sn7 Rh1 Sn4 154.047(17) . .
Sn7 Rh1 Sn5 104.070(15) . .
Sn7 Rh1 Sn6 67.423(13) . .
Sn8 Rh1 Sn1 127.327(17) . .
Sn8 Rh1 Sn2 70.128(13) . .
Sn8 Rh1 Sn3 67.574(13) . .
Sn8 Rh1 Sn4 111.959(15) . .
Sn8 Rh1 Sn5 155.283(17) . .
Sn8 Rh1 Sn6 124.120(16) . .
Sn8 Rh1 Sn7 67.242(13) . .
Sn9 Rh1 Sn1 147.078(18) . .
Sn9 Rh1 Sn2 142.870(17) . .
Sn9 Rh1 Sn3 115.695(16) . .
Sn9 Rh1 Sn4 77.637(14) . .
Sn9 Rh1 Sn5 78.396(14) . .
Sn9 Rh1 Sn6 121.277(17) . .
Sn9 Rh1 Sn7 76.998(14) . .
Sn9 Rh1 Sn8 77.088(14) . .
Sn14 Rh2 Sn11 122.790(16) . .
Sn14 Rh2 Sn15 69.514(13) . .
Sn14 Rh2 Sn16 127.849(16) . .
Sn14 Rh2 Sn17 67.350(13) . .
Sn9 Rh2 Sn14 76.737(14) . .
Sn9 Rh2 Sn10 76.483(14) . .
Sn9 Rh2 Sn11 122.043(17) . .
Sn9 Rh2 Sn12 79.921(14) . .
Sn9 Rh2 Sn13 77.081(14) . .
Sn9 Rh2 Sn15 142.267(17) . .
Sn9 Rh2 Sn16 146.657(17) . .
Sn9 Rh2 Sn17 115.280(16) . .
Sn10 Rh2 Sn14 67.297(12) . .
Sn10 Rh2 Sn11 66.859(13) . .
Sn10 Rh2 Sn12 102.313(15) . .
Sn10 Rh2 Sn15 75.330(13) . .
Sn10 Rh2 Sn16 130.611(16) . .
Sn10 Rh2 Sn17 128.204(16) . .
Sn12 Rh2 Sn14 156.102(17) . .
Sn12 Rh2 Sn11 66.749(12) . .
Sn12 Rh2 Sn15 130.489(16) . .
Sn12 Rh2 Sn16 75.586(14) . .
Sn12 Rh2 Sn17 128.930(16) . .
Sn13 Rh2 Sn14 112.067(15) . .
Sn13 Rh2 Sn10 152.862(17) . .
Sn13 Rh2 Sn11 124.368(16) . .
Sn13 Rh2 Sn12 66.910(13) . .
Sn13 Rh2 Sn15 131.068(17) . .
Sn13 Rh2 Sn16 72.692(14) . .
Sn13 Rh2 Sn17 69.837(14) . .
Sn15 Rh2 Sn11 67.305(12) . .
Sn15 Rh2 Sn17 66.437(13) . .
Sn16 Rh2 Sn11 67.441(14) . .
Sn16 Rh2 Sn15 70.695(13) . .
Sn16 Rh2 Sn17 66.607(13) . .
Sn17 Rh2 Sn11 122.618(16) . .
Rh1 Sn1 Sn2 55.214(11) . .
Rh1 Sn1 Sn3 57.400(12) . .
Rh1 Sn1 Sn4 53.517(11) . .
Rh1 Sn1 Sn6 56.524(11) . .
Sn2 Sn1 Sn4 102.515(12) . .
Sn3 Sn1 Sn2 59.381(11) . .
Sn3 Sn1 Sn4 59.763(11) . .
Sn3 Sn1 Sn6 106.867(13) . .
Sn6 Sn1 Sn2 59.517(11) . .
Sn6 Sn1 Sn4 100.261(13) . .
Rh1 Sn2 Sn1 55.007(11) . .
Rh1 Sn2 Sn3 56.836(11) . .
Rh1 Sn2 Sn6 56.002(12) . .
Rh1 Sn2 Sn8 54.475(11) . .
Sn3 Sn2 Sn1 58.142(11) . .
Sn3 Sn2 Sn6 104.951(13) . .
Sn3 Sn2 Sn8 59.094(11) . .
Sn6 Sn2 Sn1 58.364(11) . .
Sn6 Sn2 Sn8 102.086(13) . .
Sn8 Sn2 Sn1 102.337(12) . .
Rh1 Sn3 Sn1 56.468(11) . .
Rh1 Sn3 Sn2 56.138(11) . .
Rh1 Sn3 Sn4 54.854(11) . .
Rh1 Sn3 Sn8 55.385(11) . .
Rh1 Sn3 K1 87.374(19) . 2_655
Sn1 Sn3 Sn2 62.476(11) . .
Sn1 Sn3 Sn4 63.873(11) . .
Sn1 Sn3 Sn8 107.672(13) . .
Sn1 Sn3 K1 128.91(2) . 2_655
Sn2 Sn3 Sn4 107.651(13) . .
Sn2 Sn3 Sn8 61.971(12) . .
Sn2 Sn3 K1 128.38(2) . 2_655
Sn4 Sn3 K1 65.834(18) . 2_655
Sn8 Sn3 Sn4 94.036(13) . .
Sn8 Sn3 K1 67.394(19) . 2_655
Rh1 Sn4 Sn1 53.801(11) . .
Rh1 Sn4 Sn3 56.038(11) . .
Rh1 Sn4 Sn5 57.391(12) . .
Rh1 Sn4 Sn9 48.140(11) . .
Rh1 Sn4 K1 87.83(2) . 2_655
Sn1 Sn4 Sn9 100.835(12) . .
Sn1 Sn4 K1 121.36(2) . 2_655
Sn3 Sn4 Sn1 56.364(10) . .
Sn3 Sn4 Sn9 88.418(12) . .
Sn3 Sn4 K1 65.668(19) . 2_655
Sn5 Sn4 Sn1 66.204(11) . .
Sn5 Sn4 Sn3 108.834(14) . .
Sn5 Sn4 Sn9 63.995(11) . .
Sn5 Sn4 K1 131.93(2) . 2_655
Sn9 Sn4 K1 68.074(18) . 2_655
Rh1 Sn5 Sn4 57.371(12) . .
Rh1 Sn5 Sn6 56.352(12) . .
Rh1 Sn5 K3 95.73(2) . .
Sn4 Sn5 Sn6 106.910(14) . .
Sn4 Sn5 K3 147.18(2) . .
Sn6 Sn5 K3 63.65(2) . .
Rh1 Sn6 Sn1 56.519(11) . .
Rh1 Sn6 Sn2 56.211(11) . .
Rh1 Sn6 Sn5 56.054(11) . .
Rh1 Sn6 Sn7 56.028(12) . .
Rh1 Sn6 K3 100.07(2) . .
Sn1 Sn6 Sn2 62.119(11) . .
Sn1 Sn6 Sn5 67.883(12) . .
Sn1 Sn6 Sn7 109.601(13) . .
Sn1 Sn6 K3 138.25(2) . .
Sn2 Sn6 K3 137.25(2) . .
Sn5 Sn6 Sn2 109.936(13) . .
Sn5 Sn6 K3 70.39(2) . .
Sn7 Sn6 Sn2 65.967(11) . .
Sn7 Sn6 Sn5 90.105(13) . .
Sn7 Sn6 K3 71.30(2) . .
Rh1 Sn7 Sn6 56.549(11) . .
Rh1 Sn7 Sn8 56.260(11) . .
Rh1 Sn7 Sn9 48.509(11) . .
Rh1 Sn7 K2 107.33(2) . .
Rh1 Sn7 K3 94.99(2) . .
Sn6 Sn7 Sn9 93.180(13) . .
Sn6 Sn7 K2 162.38(2) . .
Sn6 Sn7 K3 63.18(2) . .
Sn8 Sn7 Sn6 105.779(14) . .
Sn8 Sn7 Sn9 62.449(11) . .
Sn8 Sn7 K2 64.591(19) . .
Sn8 Sn7 K3 146.00(2) . .
Sn9 Sn7 K2 69.373(18) . .
Sn9 Sn7 K3 85.28(2) . .
K2 Sn7 K3 115.77(3) . .
Rh1 Sn8 Sn2 55.396(11) . .
Rh1 Sn8 Sn3 57.041(11) . .
Rh1 Sn8 Sn7 56.498(12) . .
Rh1 Sn8 Sn9 48.568(11) . .
Rh1 Sn8 K1 87.043(19) . 2_655
Rh1 Sn8 K2 110.18(2) . .
Sn2 Sn8 Sn9 102.243(12) . .
Sn2 Sn8 K1 123.607(19) . 2_655
Sn2 Sn8 K2 129.66(2) . .
Sn3 Sn8 Sn2 58.935(11) . .
Sn3 Sn8 Sn9 90.128(12) . .
Sn3 Sn8 K1 65.562(19) . 2_655
Sn3 Sn8 K2 159.87(2) . .
Sn7 Sn8 Sn2 65.229(11) . .
Sn7 Sn8 Sn3 109.087(13) . .
Sn7 Sn8 Sn9 62.508(11) . .
Sn7 Sn8 K1 129.99(2) . 2_655
Sn7 Sn8 K2 67.991(19) . .
Sn9 Sn8 K1 67.717(18) . 2_655
Sn9 Sn8 K2 70.673(18) . .
K2 Sn8 K1 100.33(2) . 2_655
Sn14 Sn9 Sn4 113.755(13) . .
Sn14 Sn9 Sn7 123.521(13) . .
Sn14 Sn9 Sn8 91.153(11) . .
Sn14 Sn9 Sn13 87.647(11) . .
Sn14 Sn9 K1 58.778(17) . 2_655
Sn14 Sn9 K2 62.334(17) . .
Rh1 Sn9 Sn14 141.018(16) . .
Rh1 Sn9 Sn4 54.223(12) . .
Rh1 Sn9 Sn7 54.493(12) . .
Rh1 Sn9 Sn8 54.344(11) . .
Rh1 Sn9 Sn10 126.112(16) . .
Rh1 Sn9 Sn13 120.362(15) . .
Rh1 Sn9 K1 86.88(2) . 2_655
Rh1 Sn9 K2 105.40(2) . .
Rh2 Sn9 Sn14 54.612(11) . .
Rh2 Sn9 Rh1 163.902(18) . .
Rh2 Sn9 Sn4 121.483(15) . .
Rh2 Sn9 Sn7 125.169(16) . .
Rh2 Sn9 Sn8 140.934(15) . .
Rh2 Sn9 Sn10 54.600(12) . .
Rh2 Sn9 Sn13 54.208(12) . .
Rh2 Sn9 K1 104.82(2) . 2_655
Rh2 Sn9 K2 85.440(19) . .
Sn4 Sn9 K1 62.079(18) . 2_655
Sn4 Sn9 K2 145.682(19) . .
Sn7 Sn9 Sn4 108.529(13) . .
Sn7 Sn9 K1 118.05(2) . 2_655
Sn7 Sn9 K2 61.540(18) . .
Sn8 Sn9 Sn4 87.205(11) . .
Sn8 Sn9 Sn7 55.043(10) . .
Sn8 Sn9 K1 63.194(18) . 2_655
Sn8 Sn9 K2 59.725(17) . .
Sn10 Sn9 Sn14 55.331(10) . .
Sn10 Sn9 Sn4 72.165(12) . .
Sn10 Sn9 Sn7 178.831(14) . .
Sn10 Sn9 Sn8 124.258(13) . .
Sn10 Sn9 Sn13 108.575(13) . .
Sn10 Sn9 K1 61.345(18) . 2_655
Sn10 Sn9 K2 117.347(19) . .
Sn13 Sn9 Sn4 150.660(13) . .
Sn13 Sn9 Sn7 71.314(12) . .
Sn13 Sn9 Sn8 113.323(13) . .
Sn13 Sn9 K1 145.262(19) . 2_655
Sn13 Sn9 K2 61.428(18) . .
K1 Sn9 K2 92.39(2) 2_655 .
Sn14 Sn10 Sn9 62.615(11) . .
Sn14 Sn10 Sn11 106.199(14) . .
Sn14 Sn10 K1 63.578(19) . 2_655
Rh2 Sn10 Sn14 56.533(11) . .
Rh2 Sn10 Sn9 48.917(11) . .
Rh2 Sn10 Sn11 57.521(11) . .
Rh2 Sn10 K1 107.12(2) . 2_655
Sn9 Sn10 K1 69.344(18) . 2_655
Sn11 Sn10 Sn9 95.151(12) . .
Sn11 Sn10 K1 163.94(2) . 2_655
Rh2 Sn11 Sn10 55.621(12) . .
Rh2 Sn11 Sn12 55.734(11) . .
Rh2 Sn11 Sn15 56.113(11) . .
Rh2 Sn11 Sn16 55.620(11) . .
Sn10 Sn11 Sn15 66.615(11) . .
Sn10 Sn11 Sn16 108.916(13) . .
Sn12 Sn11 Sn10 88.825(12) . .
Sn12 Sn11 Sn15 109.564(13) . .
Sn12 Sn11 Sn16 66.653(12) . .
Sn16 Sn11 Sn15 62.505(11) . .
Rh2 Sn12 Sn11 57.516(12) . .
Rh2 Sn12 Sn13 56.407(11) . .
Rh2 Sn12 K3 120.69(2) . .
Sn11 Sn12 K3 172.95(2) . .
Sn13 Sn12 Sn11 107.511(13) . .
Sn13 Sn12 K3 68.05(2) . .
Rh2 Sn13 Sn9 48.711(11) . .
Rh2 Sn13 Sn12 56.683(12) . .
Rh2 Sn13 Sn16 53.977(11) . .
Rh2 Sn13 Sn17 55.951(11) . .
Rh2 Sn13 K2 88.15(2) . .
Rh2 Sn13 K3 117.74(2) . .
Sn9 Sn13 K2 69.579(18) . .
Sn9 Sn13 K3 89.76(2) . .
Sn12 Sn13 Sn9 64.938(11) . .
Sn12 Sn13 Sn16 64.862(11) . .
Sn12 Sn13 Sn17 107.739(13) . .
Sn12 Sn13 K2 134.01(2) . .
Sn12 Sn13 K3 64.63(2) . .
Sn16 Sn13 Sn9 101.592(13) . .
Sn16 Sn13 K2 120.12(2) . .
Sn16 Sn13 K3 116.29(2) . .
Sn17 Sn13 Sn9 88.485(11) . .
Sn17 Sn13 Sn16 56.669(11) . .
Sn17 Sn13 K2 63.835(18) . .
Sn17 Sn13 K3 172.12(2) . .
K3 Sn13 K2 122.53(3) . .
Sn14 Sn15 Sn16 102.085(13) . .
Rh2 Sn15 Sn14 54.739(11) . .
Rh2 Sn15 Sn11 56.582(11) . .
Rh2 Sn15 Sn16 54.252(11) . .
Rh2 Sn15 Sn17 56.912(11) . .
Sn11 Sn15 Sn14 102.452(13) . .
Sn11 Sn15 Sn16 58.601(11) . .
Sn17 Sn15 Sn14 59.301(11) . .
Sn17 Sn15 Sn11 105.822(13) . .
Sn17 Sn15 Sn16 58.187(11) . .
Rh2 Sn16 Sn11 56.939(11) . .
Rh2 Sn16 Sn13 53.331(11) . .
Rh2 Sn16 Sn15 55.053(11) . .
Rh2 Sn16 Sn17 57.259(12) . .
Sn11 Sn16 Sn13 101.050(13) . .
Sn11 Sn16 Sn15 58.894(11) . .
Sn15 Sn16 Sn13 102.067(13) . .
Sn17 Sn16 Sn11 106.258(13) . .
Sn17 Sn16 Sn13 60.170(11) . .
Sn17 Sn16 Sn15 58.431(11) . .
Sn14 Sn17 Sn13 93.633(12) . .
Sn14 Sn17 K2 68.49(2) . .
Rh2 Sn17 Sn14 55.671(11) . .
Rh2 Sn17 Sn13 54.212(11) . .
Rh2 Sn17 Sn15 56.651(12) . .
Rh2 Sn17 Sn16 56.134(11) . .
Rh2 Sn17 K2 89.062(19) . .
Sn13 Sn17 K2 66.698(18) . .
Sn15 Sn17 Sn14 61.973(12) . .
Sn15 Sn17 Sn13 107.721(13) . .
Sn15 Sn17 K2 129.77(2) . .
Sn16 Sn17 Sn14 107.833(13) . .
Sn16 Sn17 Sn13 63.161(11) . .
Sn16 Sn17 Sn15 63.381(11) . .
Sn16 Sn17 K2 129.39(2) . .
Sn14 K1 Sn3 117.29(3) 2_645 2_645
Sn14 K1 Sn4 95.21(2) 2_645 2_645
Sn14 K1 Sn8 77.02(2) 2_645 2_645
Sn14 K1 Sn10 48.293(15) 2_645 2_645
Sn3 K1 Sn4 48.498(15) 2_645 2_645
Sn3 K1 Sn8 47.043(14) 2_645 2_645
Sn4 K1 Sn8 72.340(19) 2_645 2_645
Sn10 K1 Sn3 106.82(3) 2_645 2_645
Sn10 K1 Sn4 61.217(18) 2_645 2_645
Sn10 K1 Sn8 98.23(2) 2_645 2_645
K2 K1 Sn14 124.92(4) . 2_645
K2 K1 Sn3 115.29(3) . 2_645
K2 K1 Sn4 132.68(4) . 2_645
K2 K1 Sn8 134.79(4) . 2_645
K2 K1 Sn10 126.29(4) . 2_645
K2 K1 C54 67.33(11) . .
K2 K1 C55 68.13(13) . .
N1 K1 Sn14 158.71(11) . 2_645
N1 K1 Sn3 73.71(9) . 2_645
N1 K1 Sn4 78.53(9) . 2_645
N1 K1 Sn8 119.24(10) . 2_645
N1 K1 Sn10 112.43(10) . 2_645
N1 K1 K2 54.83(9) . .
N1 K1 N3 60.01(14) . .
N1 K1 N88 108.97(14) . .
N1 K1 C54 43.39(16) . .
N1 K1 C55 104.71(16) . .
N3 K1 Sn14 101.15(10) . 2_645
N3 K1 Sn3 127.55(11) . 2_645
N3 K1 Sn4 96.56(10) . 2_645
N3 K1 Sn8 168.38(10) . 2_645
N3 K1 Sn10 72.77(9) . 2_645
N3 K1 K2 55.60(9) . .
N3 K1 N88 83.30(17) . .
N3 K1 C54 26.35(16) . .
N3 K1 C55 119.57(16) . .
N55 K1 Sn14 116.49(11) . 2_645
N55 K1 Sn3 80.90(12) . 2_645
N55 K1 Sn4 129.05(12) . 2_645
N55 K1 Sn8 77.14(10) . 2_645
N55 K1 Sn10 164.70(11) . 2_645
N55 K1 K2 57.85(10) . .
N55 K1 N1 82.23(14) . .
N55 K1 N3 113.45(14) . .
N55 K1 N88 58.48(17) . .
N55 K1 C54 119.14(15) . .
N55 K1 C55 23.50(16) . .
N88 K1 Sn14 75.94(10) . 2_645
N88 K1 Sn3 137.64(14) . 2_645
N88 K1 Sn4 170.90(11) . 2_645
N88 K1 Sn8 107.10(14) . 2_645
N88 K1 Sn10 110.32(12) . 2_645
N88 K1 K2 54.22(11) . .
N88 K1 C54 108.04(19) . .
N88 K1 C55 44.00(19) . .
C54 K1 Sn14 115.35(13) . 2_645
C54 K1 Sn3 101.65(15) . 2_645
C54 K1 Sn4 73.58(13) . 2_645
C54 K1 Sn8 144.65(14) . 2_645
C54 K1 Sn10 72.96(11) . 2_645
C54 K1 C55 135.30(17) . .
C55 K1 Sn14 93.11(13) . 2_645
C55 K1 Sn3 93.75(14) . 2_645
C55 K1 Sn4 140.44(14) . 2_645
C55 K1 Sn8 72.05(13) . 2_645
C55 K1 Sn10 141.19(13) . 2_645
Sn7 K2 Sn14 97.57(2) . .
Sn8 K2 Sn14 76.25(2) . .
Sn8 K2 Sn7 47.418(15) . .
Sn8 K2 Sn13 93.29(2) . .
Sn8 K2 Sn17 116.90(3) . .
Sn13 K2 Sn14 72.47(2) . .
Sn13 K2 Sn7 60.131(17) . .
Sn17 K2 Sn14 47.620(15) . .
Sn17 K2 Sn7 106.86(3) . .
Sn17 K2 Sn13 49.467(16) . .
K1 K2 Sn14 129.23(4) . .
K1 K2 Sn7 132.27(4) . .
K1 K2 Sn8 127.27(4) . .
K1 K2 Sn13 135.28(4) . .
K1 K2 Sn17 111.58(3) . .
K1 K2 C46 66.52(12) . .
K1 K2 C51 68.84(11) . .
N1 K2 Sn14 75.20(9) . .
N1 K2 Sn7 159.10(10) . .
N1 K2 Sn8 111.73(10) . .
N1 K2 Sn13 132.48(11) . .
N1 K2 Sn17 83.01(10) . .
N1 K2 K1 54.82(9) . .
N1 K2 N3 59.91(14) . .
N1 K2 N55 79.16(14) . .
N1 K2 N88 113.15(14) . .
N1 K2 C46 24.05(15) . .
N1 K2 C51 116.60(14) . .
N3 K2 Sn14 108.89(11) . .
N3 K2 Sn7 105.85(10) . .
N3 K2 Sn8 73.61(9) . .
N3 K2 Sn13 165.69(10) . .
N3 K2 Sn17 141.84(11) . .
N3 K2 K1 55.36(10) . .
N3 K2 N55 108.08(13) . .
N3 K2 C46 45.28(16) . .
N3 K2 C51 110.08(17) . .
N55 K2 Sn14 114.24(10) . .
N55 K2 Sn7 121.32(11) . .
N55 K2 Sn8 167.12(11) . .
N55 K2 Sn13 83.41(10) . .
N55 K2 Sn17 70.06(10) . .
N55 K2 K1 52.72(9) . .
N55 K2 C46 102.33(16) . .
N55 K2 C51 42.00(16) . .
N88 K2 Sn14 165.34(14) . .
N88 K2 Sn7 78.51(10) . .
N88 K2 Sn8 109.75(13) . .
N88 K2 Sn13 93.55(13) . .
N88 K2 Sn17 119.64(15) . .
N88 K2 K1 58.41(10) . .
N88 K2 N3 85.75(18) . .
N88 K2 N55 58.25(17) . .
N88 K2 C46 121.50(17) . .
N88 K2 C51 26.27(18) . .
C46 K2 Sn14 71.17(12) . .
C46 K2 Sn7 135.09(12) . .
C46 K2 Sn8 87.92(12) . .
C46 K2 Sn13 142.20(13) . .
C46 K2 Sn17 96.88(13) . .
C46 K2 C51 134.92(16) . .
C51 K2 Sn14 139.60(14) . .
C51 K2 Sn7 81.77(11) . .
C51 K2 Sn8 125.16(13) . .
C51 K2 Sn13 72.47(12) . .
C51 K2 Sn17 93.60(15) . .
O1 K5 O3 111.77(11) . .
O1 K5 O5 59.06(10) . .
O1 K5 O9 140.64(12) . .
O1 K5 O17 78.88(14) . .
O1 K5 O18 117.21(17) . .
O1 K5 N2 119.11(12) . .
O1 K5 N13A 58.86(11) . .
O1 K5 C57 135.44(17) . .
O3 K5 O5 157.94(11) . .
O3 K5 N2 120.03(13) . .
O3 K5 N13A 60.26(12) . .
O3 K5 C57 110.21(17) . .
O5 K5 N2 60.88(12) . .
O5 K5 N13A 117.50(11) . .
O5 K5 C57 85.83(16) . .
O9 K5 O3 60.25(11) . .
O9 K5 O5 112.47(12) . .
O9 K5 N2 60.50(13) . .
O9 K5 N13A 119.15(12) . .
O9 K5 C57 75.17(16) . .
O17 K5 O3 96.73(14) . .
O17 K5 O5 100.54(15) . .
O17 K5 O9 137.82(16) . .
O17 K5 N2 121.57(13) . .
O17 K5 N13A 61.06(13) . .
O17 K5 C57 82.08(17) . .
O18 K5 O3 119.00(17) . .
O18 K5 O5 81.63(17) . .
O18 K5 O9 97.29(15) . .
O18 K5 O17 61.43(14) . .
O18 K5 N2 61.24(14) . .
O18 K5 N13A 121.70(14) . .
O18 K5 C57 22.65(17) . .
N2 K5 C57 44.76(16) . .
N13A K5 N2 176.80(13) . .
N13A K5 C57 138.44(16) . .
O7 K4 O8 98.76(11) . .
O7 K4 O12 128.43(11) . .
O7 K4 N14A 119.74(12) . .
O7 K4 N15A 60.26(12) . .
O8 K4 N14A 120.22(12) . .
O8 K4 N15A 59.62(12) . .
O12 K4 O8 126.69(12) . .
O12 K4 N14A 60.42(12) . .
O12 K4 N15A 119.75(13) . .
O13 K4 O7 92.44(12) . .
O13 K4 O8 100.19(12) . .
O13 K4 O12 59.94(12) . .
O13 K4 O14 117.05(12) . .
O13 K4 N14A 119.96(13) . .
O13 K4 N15A 60.22(13) . .
O14 K4 O7 61.37(11) . .
O14 K4 O8 137.19(11) . .
O14 K4 O12 91.68(11) . .
O14 K4 N14A 58.77(11) . .
O14 K4 N15A 121.25(12) . .
O16 K4 O7 126.45(12) . .
O16 K4 O8 59.82(11) . .
O16 K4 O12 99.45(12) . .
O16 K4 O13 136.66(12) . .
O16 K4 O14 99.92(11) . .
O16 K4 N14A 60.57(12) . .
O16 K4 N15A 119.26(13) . .
N14A K4 N15A 179.81(14) . .
O2 K6 O4 60.11(10) . .
O2 K6 O11 108.80(11) . .
O2 K6 O15 103.39(12) . .
O2 K6 N4 60.63(12) . .
O2 K6 N5 119.81(12) . .
O4 K6 O11 88.58(10) . .
O4 K6 O15 125.96(11) . .
O4 K6 N4 119.61(12) . .
O4 K6 N5 60.71(11) . .
O6 K6 O2 145.87(11) . .
O6 K6 O4 103.83(12) . .
O6 K6 O11 100.02(11) . .
O6 K6 O15 59.63(12) . .
O6 K6 N4 118.66(14) . .
O6 K6 N5 60.68(12) . .
O10 K6 O2 89.77(11) . .
O10 K6 O4 128.45(12) . .
O10 K6 O6 120.75(12) . .
O10 K6 O11 60.96(11) . .
O10 K6 O15 99.76(12) . .
O10 K6 N4 60.87(12) . .
O10 K6 N5 119.48(11) . .
O11 K6 O15 141.76(11) . .
O11 K6 N4 120.67(12) . .
O11 K6 N5 59.79(11) . .
O15 K6 N4 60.09(13) . .
O15 K6 N5 119.23(13) . .
N4 K6 N5 179.33(14) . .
C1AA O1 K5 121.5(3) . .
C1AA O1 C13 113.5(4) . .
C13 O1 K5 125.0(3) . .
C16 O2 K6 114.9(3) . .
C23 O2 K6 116.9(3) . .
C23 O2 C16 111.5(4) . .
C7 O3 K5 115.4(3) . .
C19 O3 K5 115.5(3) . .
C19 O3 C7 112.1(4) . .
C4 O4 K6 112.6(3) . .
C17 O4 K6 120.0(3) . .
C17 O4 C4 111.6(4) . .
C22 O5 K5 103.9(3) . .
C22 O5 C52 113.2(5) . .
C52 O5 K5 112.3(3) . .
C5 O6 K6 117.1(3) . .
C33 O6 K6 117.0(3) . .
C33 O6 C5 111.3(5) . .
C26 O7 K4 115.4(3) . .
C0AA O7 K4 110.2(3) . .
C0AA O7 C26 111.8(4) . .
C25 O8 K4 112.2(3) . .
C47 O8 K4 114.3(3) . .
C47 O8 C25 112.4(4) . .
C18 O9 K5 113.5(3) . .
C31 O9 K5 120.0(3) . .
C31 O9 C18 112.0(4) . .
C27 O10 K6 120.6(3) . .
C30 O10 K6 114.1(3) . .
C30 O10 C27 110.6(4) . .
C6 O11 K6 114.8(3) . .
C6 O11 C9 110.3(4) . .
C9 O11 K6 112.2(3) . .
C35 O12 K4 114.9(3) . .
C43 O12 K4 111.2(3) . .
C43 O12 C35 111.3(5) . .
C20 O13 K4 113.9(3) . .
C20 O13 C53 111.8(5) . .
C53 O13 K4 117.0(3) . .
C14 O14 K4 113.8(3) . .
C40 O14 K4 116.6(3) . .
C40 O14 C14 112.4(4) . .
C32 O15 K6 112.5(3) . .
C49 O15 K6 117.1(4) . .
C49 O15 C32 111.2(5) . .
C12 O16 K4 117.3(3) . .
C15 O16 K4 117.5(3) . .
C15 O16 C12 111.1(4) . .
C37 O17 K5 117.2(4) . .
C37 O17 C58 110.0(6) . .
C58 O17 K5 109.4(5) . .
C61 O18 K5 115.4(5) . .
C61 O18 C57 127.4(7) . .
C57 O18 K5 105.8(5) . .
K1 N1 K2 70.34(10) . .
C46 N1 K1 113.8(4) . .
C46 N1 K2 98.0(4) . .
C34 N2 K5 108.4(3) . .
C34 N2 C42 110.0(5) . .
C41 N2 K5 106.5(3) . .
C41 N2 C34 110.6(5) . .
C41 N2 C42 111.4(5) . .
C42 N2 K5 109.8(3) . .
K1 N3 K2 69.05(11) . .
C54 N3 K1 93.7(3) . .
C54 N3 K2 109.3(3) . .
C38 N4 K6 110.0(3) . .
C38 N4 C50 109.6(5) . .
C38 N4 C56 109.9(5) . .
C50 N4 K6 106.9(3) . .
C56 N4 K6 109.8(4) . .
C56 N4 C50 110.6(5) . .
C2 N5 K6 109.2(3) . .
C2 N5 C21 109.0(4) . .
C2 N5 C28 110.6(4) . .
C21 N5 K6 110.9(3) . .
C28 N5 K6 105.8(3) . .
C28 N5 C21 111.3(4) . .
K1 N55 K2 69.42(11) . .
C55 N55 K1 101.8(4) . .
C55 N55 K2 112.6(5) . .
K2 N88 K1 67.37(12) . .
C51 N88 K1 107.4(4) . .
C51 N88 K2 95.1(3) . .
C2AA N64 K3 106.1(6) . 3_666
C8 N13A K5 109.1(3) . .
C8 N13A C24 111.0(4) . .
C11 N13A K5 102.3(3) . .
C11 N13A C8 113.1(4) . .
C11 N13A C24 108.4(4) . .
C24 N13A K5 112.8(3) . .
C29 N14A K4 107.8(3) . .
C29 N14A C45 109.4(5) . .
C45 N14A K4 107.5(3) . .
C39 N14A K4 111.8(3) . .
C39 N14A C29 109.5(5) . .
C39 N14A C45 110.7(5) . .
C36 N15A K4 109.4(3) . .
C36 N15A C48 109.3(5) . .
C44 N15A K4 108.6(4) . .
C44 N15A C36 110.4(5) . .
C44 N15A C48 110.8(5) . .
C48 N15A K4 108.3(3) . .
O1 C1AA C22 109.2(4) . .
N5 C2 C5 114.1(5) . .
O4 C4 C23 109.7(5) . .
O6 C5 C2 110.0(5) . .
O11 C6 C21 109.1(4) . .
O3 C7 C18 110.1(5) . .
N13A C8 C37 112.5(5) . .
O11 C9 C30 109.5(4) . .
N13A C11 C13 114.0(5) . .
O16 C12 C25 109.3(5) . .
O1 C13 C11 108.8(4) . .
O14 C14 C0AA 109.7(5) . .
O16 C15 C29 109.8(5) . .
O2 C16 C38 108.3(5) . .
O4 C17 C28 109.1(5) . .
O9 C18 C7 109.4(5) . .
O3 C19 C24 109.7(5) . .
O13 C20 C48 109.5(5) . .
N5 C21 C6 112.8(4) . .
O5 C22 C1AA 108.7(4) . .
O2 C23 C4 109.7(4) . .
N13A C24 C19 113.1(4) . .
O8 C25 C12 108.6(5) . .
O7 C26 C44 110.0(5) . .
O10 C27 C50 110.1(5) . .
N5 C28 C17 114.6(4) . .
N14A C29 C15 114.4(5) . .
O10 C30 C9 109.2(5) . .
O9 C31 C34 110.2(5) . .
O15 C32 C33 108.9(5) . .
O6 C33 C32 110.5(5) . .
N2 C34 C31 114.0(5) . .
O12 C35 C45 109.3(5) . .
N15A C36 C47 112.8(5) . .
O17 C37 C8 108.5(5) . .
N4 C38 C16 113.7(5) . .
O14 C40 C39 110.4(5) . .
C57 C41 N2 117.4(6) . .
N2 C42 C52 113.8(5) . .
O12 C43 C53 108.8(5) . .
N15A C44 C26 112.8(5) . .
N14A C45 C35 112.8(5) . .
N1 C46 K2 58.0(3) . .
N1 C46 C54 112.5(6) . .
C54 C46 K2 91.9(4) . .
O8 C47 C36 108.9(5) . .
N15A C48 C20 113.9(5) . .
O15 C49 C56 110.8(5) . .
N4 C50 C27 114.7(5) . .
N88 C51 K2 58.7(3) . .
C55 C51 K2 92.8(4) . .
C55 C51 N88 111.7(5) . .
O5 C52 C42 108.0(5) . .
O13 C53 C43 110.5(5) . .
N3 C54 K1 60.0(3) . .
C46 C54 K1 90.0(4) . .
C46 C54 N3 113.1(5) . .
N55 C55 K1 54.7(3) . .
N55 C55 C51 111.9(6) . .
C51 C55 K1 95.7(4) . .
N4 C56 C49 114.5(5) . .
C61 C58 O17 115.5(8) . .
C60 C59 N11 101.6(9) . .
C59 C60 N65 109.0(8) . .
O18 C61 C58 123.3(9) . .
C62 N7 K3 123.1(8) . .
N64 C2AA C63 119.7(8) . .
N64 C2AA K3 53.0(5) . 3_666
C63 C2AA K3 116.2(6) . 3_666
C2AA C63 N8 128.2(9) . .
C63 N8 K3 117.5(7) . .
O7 C0AA C14 110.8(5) . .
O18 C57 K5 51.6(4) . .
O18 C57 C41 120.4(7) . .
C41 C57 K5 91.3(4) . .
N14A C39 C40 112.8(5) . .
C60 N65 K3 126.8(5) . .
Sn5 K3 Sn7 64.903(19) . .
Sn6 K3 Sn5 45.964(16) . .
Sn6 K3 Sn7 45.517(16) . .
Sn12 K3 Sn5 51.589(17) . .
Sn12 K3 Sn6 93.99(3) . .
Sn12 K3 Sn7 82.98(2) . .
Sn12 K3 Sn13 47.317(16) . .
Sn13 K3 Sn5 80.21(2) . .
Sn13 K3 Sn6 97.63(3) . .
Sn13 K3 Sn7 58.158(19) . .
N64 K3 Sn5 85.7(2) 3_666 .
N64 K3 Sn6 101.00(19) 3_666 .
N64 K3 Sn7 145.4(2) 3_666 .
N64 K3 Sn12 93.0(2) 3_666 .
N64 K3 Sn13 137.2(2) 3_666 .
N64 K3 N7 100.3(3) 3_666 .
N64 K3 C2AA 20.9(2) 3_666 3_666
N64 K3 N8 66.9(3) 3_666 .
N64 K3 N65 135.7(3) 3_666 .
N64 K3 C62A 74.1(3) 3_666 .
N7 K3 Sn5 110.21(17) . .
N7 K3 Sn6 64.95(17) . .
N7 K3 Sn7 75.24(15) . .
N7 K3 Sn12 156.78(16) . .
N7 K3 Sn13 122.48(16) . .
C2AA K3 Sn5 73.81(10) 3_666 .
C2AA K3 Sn6 103.01(11) 3_666 .
C2AA K3 Sn7 138.69(11) 3_666 .
C2AA K3 Sn12 72.08(10) 3_666 .
C2AA K3 Sn13 116.90(11) 3_666 .
N8 K3 Sn5 128.5(2) . .
N8 K3 Sn6 95.8(2) . .
N8 K3 Sn7 116.9(2) . .
N8 K3 Sn12 159.0(2) . .
N8 K3 Sn13 148.2(2) . .
N8 K3 C2AA 87.6(3) . 3_666
N8 K3 N65 77.3(3) . .
N65 K3 Sn5 138.31(18) . .
N65 K3 Sn6 108.1(2) . .
N65 K3 Sn7 74.28(19) . .
N65 K3 Sn12 116.95(13) . .
N65 K3 Sn13 71.16(13) . .
N65 K3 N7 64.9(2) . .
N65 K3 C2AA 146.5(2) . 3_666
N65 K3 C62A 84.3(3) . .
C62A K3 Sn5 108.2(2) . .
C62A K3 Sn6 71.3(2) . .
C62A K3 Sn7 97.2(2) . .
C62A K3 Sn12 157.6(3) . .
C62A K3 Sn13 148.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn14 Rh2 2.7122(5) .
Sn14 Sn9 3.2381(5) .
Sn14 Sn10 2.9994(5) .
Sn14 Sn15 3.1116(5) .
Sn14 Sn17 3.0310(5) .
Sn14 K1 3.5978(11) 2_655
Sn14 K2 3.8175(11) .
Rh1 Sn1 2.7304(5) .
Rh1 Sn2 2.7373(5) .
Rh1 Sn3 2.7595(5) .
Rh1 Sn4 2.7205(5) .
Rh1 Sn5 2.7211(5) .
Rh1 Sn6 2.7306(5) .
Rh1 Sn7 2.7141(5) .
Rh1 Sn8 2.7066(5) .
Rh1 Sn9 2.4974(5) .
Rh2 Sn9 2.4975(5) .
Rh2 Sn10 2.7008(5) .
Rh2 Sn11 2.7606(5) .
Rh2 Sn12 2.7046(5) .
Rh2 Sn13 2.6960(5) .
Rh2 Sn15 2.7456(5) .
Rh2 Sn16 2.7185(5) .
Rh2 Sn17 2.7538(5) .
Sn1 Sn2 3.1275(5) .
Sn1 Sn3 2.9954(5) .
Sn1 Sn4 3.2302(5) .
Sn1 Sn6 3.0124(5) .
Sn2 Sn3 3.0350(5) .
Sn2 Sn6 3.0492(5) .
Sn2 Sn8 3.1276(5) .
Sn3 Sn4 3.1083(5) .
Sn3 Sn8 3.0400(5) .
Sn3 K1 3.7816(11) 2_655
Sn4 Sn5 2.9333(5) .
Sn4 Sn9 3.2755(5) .
Sn4 K1 3.7866(11) 2_655
Sn5 Sn6 3.0325(5) .
Sn5 K3 3.9736(13) .
Sn6 Sn7 3.0219(5) .
Sn6 K3 3.7800(13) .
Sn7 Sn8 3.0014(5) .
Sn7 Sn9 3.2486(5) .
Sn7 K2 3.7792(11) .
Sn7 K3 4.0119(13) .
Sn8 Sn9 3.2468(5) .
Sn8 K1 3.8346(11) 2_655
Sn8 K2 3.6820(11) .
Sn9 Sn10 3.2216(5) .
Sn9 Sn13 3.2396(5) .
Sn9 K1 3.9755(11) 2_655
Sn9 K2 4.0232(11) .
Sn10 Sn11 3.0092(5) .
Sn10 K1 3.7283(11) 2_655
Sn11 Sn12 3.0068(5) .
Sn11 Sn15 3.0513(5) .
Sn11 Sn16 3.0419(5) .
Sn12 Sn13 2.9773(5) .
Sn12 K3 3.6595(12) .
Sn13 Sn16 3.2090(5) .
Sn13 Sn17 3.1199(5) .
Sn13 K2 3.7701(11) .
Sn13 K3 3.7566(12) .
Sn15 Sn16 3.1613(5) .
Sn15 Sn17 3.0128(5) .
Sn16 Sn17 3.0048(5) .
Sn17 K2 3.6843(11) .
K1 Sn14 3.5979(11) 2_645
K1 Sn3 3.7816(11) 2_645
K1 Sn4 3.7865(11) 2_645
K1 Sn8 3.8347(11) 2_645
K1 Sn10 3.7283(11) 2_645
K1 K2 3.3669(14) .
K1 N1 2.922(5) .
K1 N3 2.966(5) .
K1 N55 2.862(5) .
K1 N88 3.107(5) .
K1 C54 3.418(7) .
K1 C55 3.432(7) .
K2 N1 2.923(4) .
K2 N3 2.975(5) .
K2 N55 3.045(5) .
K2 N88 2.959(6) .
K2 C46 3.414(7) .
K2 C51 3.451(6) .
K5 O1 2.691(4) .
K5 O3 2.839(4) .
K5 O5 2.848(4) .
K5 O9 2.803(4) .
K5 O17 2.773(4) .
K5 O18 2.734(5) .
K5 N2 2.963(4) .
K5 N13A 2.929(4) .
K5 C57 3.359(9) .
K4 O7 2.825(4) .
K4 O8 2.867(4) .
K4 O12 2.857(4) .
K4 O13 2.785(4) .
K4 O14 2.815(4) .
K4 O16 2.768(4) .
K4 N14A 3.054(5) .
K4 N15A 3.054(5) .
K6 O2 2.813(4) .
K6 O4 2.815(4) .
K6 O6 2.808(4) .
K6 O10 2.765(4) .
K6 O11 2.859(3) .
K6 O15 2.881(4) .
K6 N4 2.989(4) .
K6 N5 3.005(4) .
O1 C1AA 1.418(6) .
O1 C13 1.426(6) .
O2 C16 1.434(6) .
O2 C23 1.432(6) .
O3 C7 1.428(7) .
O3 C19 1.421(7) .
O4 C4 1.427(6) .
O4 C17 1.421(6) .
O5 C22 1.409(7) .
O5 C52 1.418(6) .
O6 C5 1.425(7) .
O6 C33 1.416(7) .
O7 C26 1.423(7) .
O7 C0AA 1.416(6) .
O8 C25 1.438(6) .
O8 C47 1.414(7) .
O9 C18 1.423(7) .
O9 C31 1.419(7) .
O10 C27 1.415(6) .
O10 C30 1.414(7) .
O11 C6 1.414(6) .
O11 C9 1.424(6) .
O12 C35 1.432(7) .
O12 C43 1.423(7) .
O13 C20 1.408(7) .
O13 C53 1.419(7) .
O14 C14 1.432(6) .
O14 C40 1.410(7) .
O15 C32 1.418(7) .
O15 C49 1.417(8) .
O16 C12 1.417(7) .
O16 C15 1.414(7) .
O17 C37 1.407(7) .
O17 C58 1.431(9) .
O18 C61 1.317(8) .
O18 C57 1.345(9) .
N1 C46 1.405(8) .
N2 C34 1.475(8) .
N2 C41 1.468(7) .
N2 C42 1.482(8) .
N3 C54 1.520(9) .
N4 C38 1.471(8) .
N4 C50 1.473(7) .
N4 C56 1.472(8) .
N5 C2 1.469(7) .
N5 C21 1.477(7) .
N5 C28 1.472(7) .
N55 C55 1.398(8) .
N88 C51 1.534(10) .
N11 C59 1.494(13) .
N64 C2AA 1.215(10) .
N64 K3 2.715(9) 3_666
N13A C8 1.466(7) .
N13A C11 1.463(7) .
N13A C24 1.469(7) .
N14A C29 1.472(7) .
N14A C45 1.472(7) .
N14A C39 1.460(7) .
N15A C36 1.470(8) .
N15A C44 1.466(8) .
N15A C48 1.480(8) .
C1AA C22 1.483(8) .
C2 C5 1.495(8) .
C4 C23 1.481(8) .
C6 C21 1.501(7) .
C7 C18 1.488(9) .
C8 C37 1.498(9) .
C9 C30 1.497(8) .
C11 C13 1.513(8) .
C12 C25 1.476(9) .
C14 C0AA 1.473(9) .
C15 C29 1.500(8) .
C16 C38 1.501(8) .
C17 C28 1.500(8) .
C19 C24 1.494(8) .
C20 C48 1.488(9) .
C26 C44 1.499(8) .
C27 C50 1.482(9) .
C31 C34 1.481(9) .
C32 C33 1.492(10) .
C35 C45 1.495(9) .
C36 C47 1.500(9) .
C40 C39 1.495(9) .
C41 C57 1.381(9) .
C42 C52 1.492(10) .
C43 C53 1.471(10) .
C46 C54 1.467(10) .
C49 C56 1.479(10) .
C51 C55 1.449(10) .
C58 C61 1.340(8) .
C59 C60 1.409(12) .
C60 N65 1.603(12) .
C62 N7 1.486(14) .
N7 K3 2.972(8) .
C2AA C63 1.310(12) .
C2AA K3 3.267(6) 3_666
C63 N8 1.501(15) .
N8 K3 2.915(9) .
N65 K3 2.957(7) .
C62A K3 3.447(13) .
K3 N64 2.715(9) 3_666
K3 C2AA 3.267(6) 3_666
