Racemic 1,1,6,6-Tetramethyl-1,6-distannatetranaphtho[2,1-<i>b</i>;1',2'-<i>d</i>;2'',1''-<i>g</i>;1''',2'''-<i>i</i>]cyclodeca-2,4,7,9-tetraene
Tani, Kazuhide; Yamagata, Tsuneaki; Hironori Tashiro; Acta Crystallographica Section C 54 (1998) 755–757; doi:10.1107/S0108270197007750

data_2007393
_publ_section_title
;Racemic
 1,1,6,6-Tetramethyl-1,6-distannatetranaphtho[2,1-<i>b</i>;1',2'-<i>d</i>;2'',1''-<i>g</i>;1''',2'''-<i>i</i>]cyclodeca-2,4,7,9-tetraene
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              755
_journal_page_last               757
_journal_paper_doi               10.1107/S0108270197007750
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Sn2 (C20 H12)2 (CH3)4]'
_chemical_formula_moiety         'C44 H36 Sn2'
_chemical_formula_sum            'C44 H36 Sn2'
_chemical_formula_weight         802.15
_chemical_name_systematic
;
racemic-1,1,6,6-tetramethyl-1,6-distannatetranaphtho
[2,1-b;1',2'-d;2",1"-g;1"',2"'-i]cyclodeca-2,4,7,9-tetraene
;
_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
_cell_angle_beta                 101.18(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.789(4)
_cell_length_b                   16.927(5)
_cell_length_c                   11.751(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     3471.2(14)
_computing_cell_refinement       'Rigaku AFC-4R software'
_computing_data_collection       'Rigaku AFC-4R software'
_computing_data_reduction        'Rigaku AFC-4R software'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293.0(10)
_diffrn_measurement_device_type  'Rigaku AFC-4R'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8640
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         0.0
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.469
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.429
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.842
_refine_ls_goodness_of_fit_obs   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6646
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.842
_refine_ls_restrained_S_obs      0.986
_refine_ls_R_factor_all          0.126
_refine_ls_R_factor_obs          .057
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.086
_refine_ls_wR_factor_obs         .071
_reflns_number_gt                3558
_reflns_number_total             7964
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ta1135.cif
_cod_data_source_block           TA1135
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

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

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/\s^2^(Fo^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^(Fo^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value '\y scan' was replaced with
the value 'psi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2007393