Reaction of Dialkyltin Methoxide with Carbon Dioxide Relevant to the Mechanism of Catalytic Carbonate Synthesis
Jun-Chul Choi; Toshiyasu Sakakura; Takeshi Sako; Journal of the American Chemical Society 121 (1999) 3793–3794; doi:10.1021/ja9900499

data_4116358
_publ_contact_author_address
;
National Institute of Materials and Chemical Research, 1-1 Higashi,
Tsukuba, Ibaraki 305-8565, Japan
;
_publ_contact_author_email       sakakura@home.nimc.go.jp
_publ_contact_author_fax         81-298-54-4687
_publ_contact_author_name        'Dr. Toshiyasu Sakakura'
_publ_contact_author_phone       81-298-54-4688
_publ_section_title
;
 Reaction of Dialkyltin Methoxide with Carbon Dioxide Relevant to the
 Mechanism of Catalytic Carbonate Synthesis
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3793
_journal_page_last               3794
_journal_paper_doi               10.1021/ja9900499
_journal_volume                  121
_journal_year                    1999
_chemical_formula_moiety         'C5 H12 O4 Sn'
_chemical_formula_sum            'C5 H12 O4 Sn'
_chemical_formula_weight         254.84
_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             'wed Dec 23 17:30:18 1998'
_audit_creation_method           ' from TEXRAY.INF file '
_cell_angle_alpha                92.77(2)
_cell_angle_beta                 110.46(3)
_cell_angle_gamma                93.01(2)
_cell_formula_units_Z            2
_cell_length_a                   8.160(3)
_cell_length_b                   8.724(2)
_cell_length_c                   6.641(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    243.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.5
_cell_volume                     441.2(2)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      243.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.04135
_diffrn_orient_matrix_UB_12      -0.01388
_diffrn_orient_matrix_UB_13      -0.16079
_diffrn_orient_matrix_UB_21      0.00490
_diffrn_orient_matrix_UB_22      -0.11389
_diffrn_orient_matrix_UB_23      0.00848
_diffrn_orient_matrix_UB_31      -0.12437
_diffrn_orient_matrix_UB_32      -0.00887
_diffrn_orient_matrix_UB_33      -0.00618
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_av_sigmaI/netI    0.010
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2170
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.67
_diffrn_standards_decay_%        -2.61
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.858
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, phillips & Mathews, 1968)'
_exptl_crystal_colour            'colorless '
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_density_method    'not measured '
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             248.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.81
_refine_ls_extinction_coef       0.113(8)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.655
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     92
_refine_ls_number_reflns         1978
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.0380
_refine_ls_shift/su_mean         0.0040
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = l/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0447
_refine_ls_wR_factor_ref         0.0447
_reflns_number_gt                1978
_reflns_number_total             2027
_reflns_threshold_expression     '>2.0 sigma (I) '
_cod_data_source_file            ja9900499_2.cif
_cod_data_source_block           '[Me2Sn(OMe)(OCO2Me)]2'
_cod_database_code               4116358