<i>catena</i>-Poly[[ethyldiphenyltin(IV)]-μ-isonicotinato-κ^2^<i>O</i>:<i>N</i>']
Amini, Mostafa M.; Azadmeher, Amirreza; Ng, Seik Weng; Acta Crystallographica Section E 62 (2006) m2293–m2294; doi:10.1107/S1600536806032958

data_2210253
_publ_section_title
<i>catena</i>-Poly[[ethyldiphenyltin(IV)]-\m-isonicotinato-\k^2^<i>O</i>:<i>N</i>']
_journal_coeditor_code           HB2120
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2293
_journal_page_last               m2294
_journal_paper_doi               10.1107/S1600536806032958
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C2 H5) (C6 H5)2 (C6 H4 N O2)]'
_chemical_formula_moiety         'C20 H19 N O2 Sn'
_chemical_formula_sum            'C20 H19 N O2 Sn'
_chemical_formula_weight         424.05
_chemical_name_systematic
;
catena-Poly[[ethyldiphenyltin(IV)]-\m-isonicotinato-\k^2^O:N']
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                78.9900(10)
_cell_angle_beta                 77.0660(10)
_cell_angle_gamma                70.6220(10)
_cell_formula_units_Z            2
_cell_length_a                   9.75620(10)
_cell_length_b                   9.97110(10)
_cell_length_c                   10.29080(10)
_cell_measurement_reflns_used    6986
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      33.3
_cell_measurement_theta_min      2.6
_cell_volume                     912.971(17)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_av_sigmaI/netI    0.025
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13345
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.410
_exptl_absorpt_correction_T_max  0.872
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.36
_refine_diff_density_min         -1.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.12
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         4146
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.13
_refine_ls_R_factor_all          0.030
_refine_ls_R_factor_gt           0.028
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.061P)^2^+0.7851P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.080
_refine_ls_wR_factor_ref         0.089
_reflns_number_gt                3983
_reflns_number_total             4146
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2120.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        912.97(2)
_cod_database_code               2210253
_cod_database_fobs_code          2210253