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_1100970
_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         'C7 H15 N1 O5 Sn1'
_chemical_formula_sum            'C7 H15 N O5 Sn'
_chemical_formula_weight         311.91
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 107.2310(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   10.6103(7)
_cell_length_b                   6.7816(5)
_cell_length_c                   15.5010(10)
_cell_measurement_reflns_used    8352
_cell_measurement_temperature    150
_cell_measurement_theta_max      37.56
_cell_measurement_theta_min      2.25
_cell_volume                     1065.31(13)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full .95
_diffrn_measured_fraction_theta_max .95
_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  .032
_diffrn_reflns_av_sigmaI/netI    .036
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21952
_diffrn_reflns_theta_full        32.65
_diffrn_reflns_theta_max         34.65
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.396
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .89
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

 SADABS; Sheldrick, 1996

;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             616
_exptl_crystal_size_max          .1
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         3.00
_refine_diff_density_min         -.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.1
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     136
_refine_ls_number_reflns         3887
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .044
_refine_ls_R_factor_gt           .034
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .05
_refine_ls_wR_factor_ref         .047
_reflns_d_resolution_high        .625
_reflns_d_resolution_low         10.114
_reflns_limit_h_max              16
_reflns_limit_h_min              0
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              23
_reflns_limit_l_min              -24
_reflns_number_gt                3887
_reflns_number_total             4562
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            ic048240tsi20041215_025357_3.cif
_cod_data_source_block           cpsnn2
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_formula_sum        'C7 H15 N1 O5 Sn1'
_cod_database_code               1100970