On the Formation of the Intermetalloid Cluster [AgSn18]7‒ - The Reactivity of Coinage Metal NHC Compounds towards [Sn9]4‒
Geitner, Felix; Klein, Wilhelm; Fässler, Thomas F; Dalton Trans.  (2017) –; doi:10.1039/C7DT00754J

data_7042633
_publ_section_title
;
 On the Formation of the Intermetalloid Cluster [AgSn18]7-- - The
 Reactivity of Coinage Metal NHC Compounds towards [Sn9]4--
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT00754J
_journal_year                    2017
_chemical_formula_moiety
'C27 H36 Ag N2 Sn9, 3(C18 H36 K N2 O6), 24(H3 N)'
_chemical_formula_sum            'C81 H216 Ag K3 N32 O18 Sn9'
_chemical_formula_weight         3220.23
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-28 deposited with the CCDC.
2017-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.003(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   57.9254(15)
_cell_length_b                   16.7406(3)
_cell_length_c                   31.1204(8)
_cell_measurement_reflns_used    37763
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.8577
_cell_measurement_theta_min      2.8561
_cell_volume                     27349.6(13)
_computing_cell_refinement
; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_data_collection
; 
 CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_data_reduction
; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16.0238
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Xcalibur 3'
_diffrn_measurement_method       '\w and \p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0830
_diffrn_reflns_av_unetI/netI     0.1113
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       71
_diffrn_reflns_limit_h_min       -67
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            147792
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.241
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.919
_exptl_absorpt_coefficient_mu    1.907
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 

 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_description       block
_exptl_crystal_F_000             12992
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ammonia'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.451
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.821
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1290
_refine_ls_number_reflns         26868
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0363
_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/[\s^2^(Fo^2^)+(0.0322P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0759
_reflns_number_gt                15206
_reflns_number_total             26868
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt00754j2.cif
_cod_data_source_block           FSG-51
_cod_database_code               7042633
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              30923