(8-Aminoquinoline-<i>N</i>,<i>N</i>')dichlorodimethyltin(IV)
Alan Hazell; Kar Fong Thong; Jiexiang Ouyang; Lian Ee Khoo; Acta Crystallographica Section C 53 (1997) 1226–1228; doi:10.1107/S0108270197006331

data_2006449
_publ_section_title
;
 (8-Aminoquinoline-<i>N</i>,<i>N</i>')dichlorodimethyltin(IV)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1226
_journal_page_last               1228
_journal_paper_doi               10.1107/S0108270197006331
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Sn Cl2 (C H3)2 (C9 H8 N2)]'
_chemical_formula_structural     '[SnCl2(CH3)2(C9H8N2)]'
_chemical_formula_sum            'C11 H14 Cl2 N2 Sn'
_chemical_formula_weight         363.84
_chemical_melting_point          400.5(15)
_chemical_name_systematic
;
 bis(8-aminoquinoline)dichlorodimethyltin(IV)
;
_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                90.15(5)
_cell_angle_beta                 104.32(5)
_cell_angle_gamma                71.59(5)
_cell_formula_units_Z            2
_cell_length_a                   9.678(8)
_cell_length_b                   10.701(9)
_cell_length_c                   7.280(6)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    294
_cell_measurement_theta_max      14.3
_cell_measurement_theta_min      10.0
_cell_volume                     690.8(10)
_computing_cell_refinement       MAD
_computing_data_collection       'MAD (Allibon, 1995)'
_computing_data_reduction        'KRYSTAL (Hazell, 1995)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996), KRYSTAL'
_computing_publication_material  KRYSTAL
_computing_structure_refinement  'modified ORFLS (1962)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994), KRYSTAL'
_diffrn_ambient_temperature      294
_diffrn_measurement_device       'Huber four-circle diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2642
_diffrn_reflns_reduction_process 2642
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.21
_exptl_absorpt_correction_T_max  0.706
_exptl_absorpt_correction_T_min  0.432
_exptl_absorpt_correction_type
'numerical integration (Becker & Coppens, 1975)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             356
_exptl_crystal_size_max          0.325
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.6(2)
_refine_diff_density_min         -1.8(2)
_refine_ls_abs_structure_details
;
;
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.671
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1925
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          .055
_refine_ls_shift/esd_max         0.005
_refine_ls_shift/esd_mean        0.0009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
   w = 1/{[\s~cs~(F^2^)+1.03F^2^]^1/2^-|F|}^2^
;
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         .066
_reflns_number_observed          1925
_reflns_number_total             2432
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1483.cif
_cod_data_source_block           e105a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19

The following automatic conversions were performed:
'_atom_site_thermal_displace_type' value 'UISO' changed to 'Uiso'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (13 times).

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

The following automatic conversions were performed:

'_chemical_melting_point' value '399-402' was changed to '400.5(15)'
- the average value was taken and precision was
estimated.

'_atom_site_thermal_displace_type' tag value 'Uij' was
replaced with 'Uani' value 16 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '399-402' was changed to '400.5(15)'
- the average value was taken and precision was
estimated.

'_atom_site_thermal_displace_type' value 'UISO' changed
to 'Uiso' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (13 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        691.0(10)
_cod_database_code               2006449