Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide Complex toward Isocyanates and Rhodium(I) Chloride
Guo, Jia-Yi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai; Organometallics 31 (2012) 3888–; doi:10.1021/om300062n

data_4078227
_publ_section_title
;
 Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide
 Complex toward Isocyanates and Rhodium(I) Chloride
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              3888
_journal_paper_doi               10.1021/om300062n
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C36 H44 Cl N P2 Rh S Si Sn, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C37.5 H47 Cl4 N P2 Rh S Si Sn'
_chemical_formula_weight         997.25
_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                 97.5720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.7899(2)
_cell_length_b                   16.7568(3)
_cell_length_c                   20.4015(3)
_cell_measurement_reflns_used    9783
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      34.94
_cell_measurement_theta_min      2.25
_cell_volume                     3995.39(12)
_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      103(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \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  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            74292
_diffrn_reflns_theta_full        35.11
_diffrn_reflns_theta_max         35.11
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.497
_exptl_absorpt_correction_T_max  0.6622
_exptl_absorpt_correction_T_min  0.5858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.436
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         17658
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+2.8452P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0704
_reflns_number_gt                14406
_reflns_number_total             17658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300062n_si_001.cif
_cod_data_source_block           scw201s
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3995.39(11)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C37.50 H47 Cl4 N P2 Rh S Si Sn'
_cod_database_code               4078227