[Pt(C22H18N4)]2(ClO4)
Gillard, Robert D.; Ullah, S.M. Bashir; Malik, K.M. Abdul; Hursthouse, Michael B.; Lamond, Steven J.; Coles, Simon J.; Crystal Structure Report Archive  (1992) 867–; doi:

data_1519123
_publ_section_title
;
 [Pt(C22H18N4)]2(ClO4)
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              867
_journal_year                    1992
_chemical_formula_sum            'C22 H22 Cl2 N4 O8 Pt'
_chemical_formula_weight         736.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 103.830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.876(9)
_cell_length_b                   14.172(9)
_cell_length_c                   27.722(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5294(5)
_computing_cell_refinement       REFINE
_computing_data_collection       'MADNES (Pflugrath & Messerschmidt, 1989)'
_computing_data_reduction        'ABSURD (Karaulov, 1992)'
_computing_molecular_graphics    'SNOOPI (K. Davies, Univ. of Oxford, 1983)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'SIR92 (Altomare, Cascarano, Giacovazzo & Guaglitardi, 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.538
_diffrn_measured_fraction_theta_max 0.538
_diffrn_measurement_device_type  'Delft instruments FAST area detector'
_diffrn_measurement_method
'Intensity measurements as described by Darr, Drake, Hursthouse & Malik (1993)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0008
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6542
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    5.556
_exptl_absorpt_correction_T_max  0.6971
_exptl_absorpt_correction_T_min  0.1677
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
DIFABS (N. Walker and D. Stuart, Acta Cryst., 1983, A39, 158-166) adapted 
for FAST geometry by A. Karaulov, Univ. of Cardiff, 1990)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2864
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.249
_refine_diff_density_min         -1.648
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.527
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         6542
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.527
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1436
_reflns_number_gt                6542
_reflns_number_total             6542
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            eCrystal-867.cif
_cod_data_source_block           92car027
_cod_depositor_comments
;
Citation :
Gillard, Robert D. and Ullah, S.M. Bashir and Malik, K.M. Abdul and 
Hursthouse, Michael B. and Lamond, Steven J. and Coles, Simon J. (1992) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/867)

http://ecrystals.chem.soton.ac.uk/867/

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1519123