Two Synthetic Approaches for the Preparation of Tin(II) Dications
Schleep, Mario; Hettich, Clarissa; Kratzert, Daniel; Scherer, Harald; Krossing, Ingo; Chem. Commun.  (2017) –; doi:10.1039/C7CC06201J

data_7120638
_publ_section_title
;
 Two Synthetic Approaches for the Preparation of Tin(II) Dications
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06201J
_journal_year                    2017
_chemical_formula_moiety         'Sn N8 H20 C16, 2(Al O4 C16 F36)'
_chemical_formula_sum            'C48 H20 Al2 F72 N8 O8 Sn'
_chemical_formula_weight         2377.37
_chemical_properties_physical    ', Moisture-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-16 deposited with the CCDC.
2017-09-11 downloaded from the CCDC.
;
_cell_angle_alpha                82.129(3)
_cell_angle_beta                 83.435(3)
_cell_angle_gamma                63.201(2)
_cell_formula_units_Z            2
_cell_length_a                   14.2805(6)
_cell_length_b                   14.2903(6)
_cell_length_c                   20.9698(10)
_cell_measurement_reflns_used    9811
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.299
_cell_measurement_theta_min      2.4135
_cell_volume                     3777.0(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0658
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            94441
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.909
_diffrn_reflns_theta_min         0.982
_diffrn_source                   'INCOATEC Mo Microsource'
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'L. Krause, R. Herbst-Irmer, G. M. Sheldrick, D. Stalke, J. Appl. Cryst. 2015, 48, 3--10.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.090
_exptl_crystal_description       needle
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.130
_refine_diff_density_min         -1.393
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1372
_refine_ls_number_reflns         18917
_refine_ls_number_restraints     15265
_refine_ls_restrained_S_all      0.818
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0599P)^2^+7.9601P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1280
_refine_ls_wR_factor_ref         0.1470
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12585
_reflns_number_total             18917
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc06201j2.cif
_cod_data_source_block           P-1_a
_cod_database_code               7120638
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.841
_shelx_estimated_absorpt_t_max   0.971
_shelx_res_checksum              18602