Synthesis and Mössbauer Spectroscopy of Formal Tin(II) Dichloride and Dihydride Species Supported by Lewis Acids and Bases
S. M. Ibrahim Al-Rafia; Olena Shynkaruk; Sean M. McDonald; Sean K. Liew; Michael J. Ferguson; Robert McDonald; Rolfe H. Herber; Eric Rivard; Inorganic Chemistry 52 (2013) 5581–5589; doi:10.1021/ic4005455

data_4334795
_publ_contact_author_address
;
Department of Chemistry
University of Alberta
Edmonton
AB T6G 2G2
CANADA
;
_publ_contact_author_email       ERIVARD@UALBERTA.CA
_publ_contact_author_name        'E. Rivard'
_publ_section_title
;
 Synthesis and M\"ossbauer Spectroscopy of Formal Tin(II) Dichloride and
 Dihydride Species Supported by Lewis Acids and Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5581
_journal_page_last               5589
_journal_paper_doi               10.1021/ic4005455
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C32 H36 Cl2 Cr N2 O5 Sn'
_chemical_formula_weight         770.22
_chemical_name_common            5
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 91.5446(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   10.5962(6)
_cell_length_b                   18.9655(11)
_cell_length_c                   51.458(3)
_cell_measurement_reflns_used    9876
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.95
_cell_measurement_theta_min      2.23
_cell_volume                     10337.4(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w 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  0.0642
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -64
_diffrn_reflns_number            82030
_diffrn_reflns_theta_full        26.43
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    1.235
_exptl_absorpt_correction_T_max  0.9454
_exptl_absorpt_correction_T_min  0.6613
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_description       plate
_exptl_crystal_F_000             4680
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.163
_refine_diff_density_min         -1.106
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1162
_refine_ls_number_reflns         21256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0227P)^2^+21.4658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                13968
_reflns_number_total             21256
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic4005455_si_002_2.cif
_cod_data_source_block           riv1083
_cod_original_cell_volume        10337.3(10)
_cod_database_code               4334795