X-ray Diffraction and 2D Gradient-Assisted1H−119Sn HMQC NMR Studies of Structures Obtained from Nucleophilic Substitutions on Dimethyltin(IV) Salicylaldoximates
Willem, Rudolph; Bouhdid, Abdeslam; Meddour, Abdelkrim; Camacho-Camacho, Carlos; Mercier, Frédéric; Gielen, Marcel; Biesemans, Monique; Ribot, François; Sanchez, Clément; Tiekink, Edward R. T.; Organometallics 16 (1997) 4377–; doi:10.1021/om970378e

data_4078374
_publ_section_title
;
 X-ray Diffraction and 2D Gradient-Assisted1H&#x2212;119Sn HMQC NMR
 Studies of Structures Obtained from Nucleophilic Substitutions on
 Dimethyltin(IV) Salicylaldoximates
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4377
_journal_paper_doi               10.1021/om970378e
_journal_volume                  16
_journal_year                    1997
_chemical_formula_sum            'C30 H38 N3 O6 Sn3'
_chemical_formula_weight         892.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Jan 10 13:23:19 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                103.00(3)
_cell_angle_beta                 102.90(2)
_cell_angle_gamma                86.63(4)
_cell_formula_units_Z            2
_cell_length_a                   12.334(5)
_cell_length_b                   14.624(7)
_cell_length_c                   10.101(3)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    293
_cell_measurement_theta_max      46.9
_cell_measurement_theta_min      43.6
_cell_volume                     1730.4(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       AFC6R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.01358
_diffrn_orient_matrix_UB_12      -0.00018
_diffrn_orient_matrix_UB_13      -0.10157
_diffrn_orient_matrix_UB_21      0.07776
_diffrn_orient_matrix_UB_22      -0.02334
_diffrn_orient_matrix_UB_23      -0.00149
_diffrn_orient_matrix_UB_31      -0.02634
_diffrn_orient_matrix_UB_32      -0.06631
_diffrn_orient_matrix_UB_33      -0.02350
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  17.19
_diffrn_reflns_av_sigmaI/netI    12.8
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8339
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        -19.34
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.190
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Walker&Stuart_DIFABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_description       plate
_exptl_crystal_F_000             874.00
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.660
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4821
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0389
_refine_ls_shift/esd_max         0.0039
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0391
_reflns_number_observed          4821
_reflns_number_total             7972
_reflns_observed_criterion       3.00
_cod_data_source_file            om970378e.cif
_cod_data_source_block           4
_cod_original_cell_volume        1730(1)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C30 H38 N3 O6 Sn3 '
_cod_database_code               4078374