Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes
Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White; Inorganic Chemistry 44 (2005) 3094–3102; doi:10.1021/ic048240t

data_1100969
_publ_contact_author_address
;

   Department of Chemistry

   University of Western Australia

   35 Stirling Highway

   Crawley

   Western Australia 6009

   Australia

;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_9380_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08-9380_3481
_publ_section_title
;

Synthesis and Spectroscopic and X-ray Structural Characterization of

R2SnIV-Oxydiacetate and -Iminodiacetate Complexes

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3094
_journal_page_last               3102
_journal_paper_doi               10.1021/ic048240t
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C12 H28 Cl2 O7 Sn2'
_chemical_formula_sum            'C12 H28 Cl2 O7 Sn2'
_chemical_formula_weight         592.68
_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'
_cell_angle_alpha                90.00000
_cell_angle_beta                 98.296(4)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.1370(10)
_cell_length_b                   17.648(3)
_cell_length_c                   14.085(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      1.9
_cell_volume                     2001.5(5)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type
;

Bruker SMART CCD diffractometer

;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .068
_diffrn_reflns_av_sigmaI/netI    .035
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            40395
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.79
_exptl_absorpt_correction_T_max  .73
_exptl_absorpt_correction_T_min  .45
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

 SADABS; Sheldrick, 1996

;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .18
_exptl_crystal_size_min          .1
_refine_diff_density_max         5.645
_refine_diff_density_min         -2.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.151
_refine_ls_goodness_of_fit_ref   1.16
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3905
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .07
_refine_ls_R_factor_gt           .058
_refine_ls_shift/su_max          .017
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .097
_refine_ls_wR_factor_ref         .09
_reflns_d_resolution_high        .769
_reflns_d_resolution_low         10.914
_reflns_Friedel_coverage         0
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              22
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              -18
_reflns_number_gt                3905
_reflns_number_total             4613
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            ic048240tsi20041215_025357_2.cif
_cod_data_source_block           cpc4am
_cod_original_sg_symbol_Hall     -p_2yn
_cod_database_code               1100969