Chlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(vinyl)tin(IV)
Vrabel, V.; Kello, E.; Holecek, J.; Sivy, J.; Lokaj, J.; Acta Crystallographica Section C 51 (1995) 70–72; doi:10.1107/S0108270194006293

data_2010415
_publ_section_title
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 Chlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(vinyl)tin(IV)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              70
_journal_page_last               72
_journal_paper_doi               10.1107/S0108270194006293
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C12 H23 Cl1 N2 S4 Sn1'
_chemical_formula_sum            'C12 H23 Cl N2 S4 Sn'
_chemical_formula_weight         477.71
_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_type_scat_source           IntTabIV
_cell_angle_alpha                96.03(6)
_cell_angle_beta                 94.13(9)
_cell_angle_gamma                107.59(9)
_cell_formula_units_Z            2
_cell_length_a                   7.082(10)
_cell_length_b                   10.065(8)
_cell_length_c                   14.559(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      14
_cell_measurement_theta_min      3
_cell_volume                     977.9(18)
_diffrn_measurement_device       XP2~1~
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4694
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.85
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_density_meas      1.64(3)
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.93
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3078
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.1
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + (0.02F~o~)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          3078
_reflns_number_total             4515
_reflns_observed_criterion       I>1.96\s(I)
_cod_data_source_file            se1051.cif
_cod_data_source_block           se1051_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~) +
(0.02F~o~)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F~o~) + (0.02F~o~)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        978(2)
_cod_original_formula_sum        'C12 H23 Cl1 N2 S4 Sn1'
_cod_database_code               2010415