Photoinduced Dimerization Reaction Coupled with Oxygenation of a Platinum(II)-Hydrazone Complex.
Kobayashi, Atsushi; Yamamoto, Daisuke; Horiki, Hiroyuki; Sawaguchi, Kana; Matsumoto, Takeshi; Nakajima, Kiyohiko; Chang, Ho-Chol; Kato, Masako; Inorganic chemistry 53 (2014) 2573–2581; doi:10.1021/ic402879g

data_4337820
_publ_section_title
;
 Photoinduced Dimerization Reaction Coupled with Oxygenation of a
 Platinum(II)-Hydrazone Complex.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2573
_journal_page_last               2581
_journal_paper_doi               10.1021/ic402879g
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C24 H19 Cl N3 O P Pt'
_chemical_formula_sum            'C24 H19 Cl N3 O P Pt'
_chemical_formula_weight         626.95
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.851(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   29.907(8)
_cell_length_b                   7.4667(17)
_cell_length_c                   20.066(5)
_cell_measurement_reflns_used    5186
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.07
_cell_volume                     4400.8(19)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17504
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.5490
_exptl_absorpt_correction_T_max  0.9129
_exptl_absorpt_correction_T_min  0.6537
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             2416.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.670
_refine_diff_density_min         -1.280
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     288
_refine_ls_number_reflns         4936
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0560P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1212
_reflns_number_gt                3345
_reflns_number_total             4936
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic402879g_si_001.cif
_cod_data_source_block           Pt1O
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               4337820