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_4078375
_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 H39 N2 O6 Sn3'
_chemical_formula_weight         879.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_date             'Fri Jan 10 15:17:12 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                105.10(3)
_cell_angle_beta                 112.88(3)
_cell_angle_gamma                87.30(3)
_cell_formula_units_Z            2
_cell_length_a                   11.744(5)
_cell_length_b                   15.768(5)
_cell_length_c                   10.200(4)
_cell_measurement_reflns_used    2
_cell_measurement_temperature    293
_cell_measurement_theta_max      50.0
_cell_measurement_theta_min      50.0
_cell_volume                     1677.0(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    SIR88
_diffrn_ambient_temperature      293
_diffrn_measurement_device       AFC6R
_diffrn_measurement_method       'omega/2-theta scans'
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_diffrn_orient_matrix_UB_31      -0.02838
_diffrn_orient_matrix_UB_32      0.05247
_diffrn_orient_matrix_UB_33      0.05623
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.06
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
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_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        -2.12
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_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.258
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_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Walker&Stuart_DIFABS
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_exptl_crystal_size_mid          0.290
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0367
_refine_ls_shift/esd_max         0.0098
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0442
_reflns_number_observed          5471
_reflns_number_total             7742
_reflns_observed_criterion       3.00
_cod_data_source_file            om970378e.cif
_cod_data_source_block           5a
_cod_original_cell_volume        1677(1)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C30 H39 N2 O6 Sn3 '
_cod_database_code               4078375