μ-(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)]
Doyle, J. R.; Baenziger, N. C.; Acta Crystallographica Section C 51 (1995) 1116–1118; doi:10.1107/S0108270194014149

data_2003530
_publ_section_title
\m-(1,2,5,6-\h:3,4,7,8-\h)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)]
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1116
_journal_page_last               1118
_journal_paper_doi               10.1107/S0108270194014149
_journal_volume                  51
_journal_year                    1995
_chemical_formula_analytical
;
Calcd. for C~12~H~20~Pt~2~: C,25.98;H,3.63;Pt,70.38.
Found: C,25.13;H,3.51;
Pt,70.02.
;
_chemical_formula_moiety         'C12 H20 Pt2'
_chemical_formula_sum            'C12 H20 Pt2'
_chemical_formula_weight         554.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 111.21(16)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.9538(6)
_cell_length_b                   11.1908(8)
_cell_length_c                   10.770(5)
_cell_measurement_reflns_used
;
 24 (back-reflection Weissenberg for a,b)
and 10 (precession, calibrated by a,b to determine c)
;
_cell_measurement_temperature    295
_cell_measurement_theta_max      82
_cell_measurement_theta_min      60
_cell_volume                     1230.8(15)
_computing_data_collection
' locally written programs (Baenziger et al., 1977)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_publication_material
;
MolEN (Fair, 1990) and SDP (B. A. Frenz & Associates, Inc., 1985)
;
_computing_structure_refinement
;
MolEN (Fair, 1990) and SDP (B. A. Frenz & Associates, Inc., 1985)
;
_computing_structure_solution    'local programs'
_diffrn_measurement_device       Picker
_diffrn_measurement_method
' step scan data from \q-2\q scans (Baenziger et al., 1977)'
_diffrn_radiation_type           ' MoK\a (intensities), CuK\a~1~ and CuK\a~2~'
_diffrn_radiation_wavelength     ' 0.71073 (Mo) and 1.54051 (CuK\a~1~)'
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5047
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        12
_diffrn_standards_interval_count 60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    23.6
_exptl_absorpt_correction_T_max  0.665
_exptl_absorpt_correction_T_min  0.247
_exptl_absorpt_correction_type   ' analytical (Templeton & Templeton, 1973)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.992(7)
_exptl_crystal_density_meas      3.06(5)
_exptl_crystal_density_method    pycnometer
_exptl_crystal_description       needles
_exptl_crystal_size_max          '0.190 (001)'
_exptl_crystal_size_mid          '0.088 (1\=10)'
_exptl_crystal_size_min          '0.056 (110)'
_refine_diff_density_max         2.2
_refine_diff_density_min         -1.4
_refine_ls_extinction_coef       6.6E-7(2)
_refine_ls_extinction_method     'METHOD ??'
_refine_ls_goodness_of_fit_obs   1.24
_refine_ls_hydrogen_treatment
;
H-atom positions were fixed and not refined
;
_refine_ls_number_parameters     66
_refine_ls_number_reflns         808
_refine_ls_R_factor_obs          .047
_refine_ls_shift/esd_max         0.23
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
Weighting scheme according to
Killean & Lawrence (1969)
;
_refine_ls_wR_factor_obs         .073
_reflns_number_observed          667
_reflns_number_total             808
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bk1101.cif
_cod_data_source_block           cotPt2Me4
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol and _atom_site_calc_flag data items
 and marking atoms 'M1' and 'M2' as dummy atoms.

 Antanas Vaitkus,
 2017-07-20

 Correcting space group symmetry operation list:
 1) Adding symmetry operations that are required by the '-C 2yc' space group:
    -x+1/2,-y+1/2,-z
    -x+1/2,y+1/2,-z+1/2
    -x,-y,-z
    x+1/2,-y+1/2,z+1/2
    x+1/2,y+1/2,z
    x,-y,z+1/2

 Adding the Hall space group symbol and the space group number.

 Antanas Vaitkus,
 2017-07-20
;
_cod_original_cell_volume        1231(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2003530