Photooxidation of a Platinum-Anthracene Pincer Complex: Formation and Structures of PtII-Anthrone and -Ketal Complexes
Jian Hu; Huan Xu; Minh-Hai Nguyen; John H. K. Yip; Inorganic Chemistry 48 (2009) 9684–9692; doi:10.1021/ic900479w

data_4303364
_publ_section_title
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Photooxidation of a Platinum-Anthracene Pincer Complex: Formation and
Structures of PtII-Anthrone and -Ketal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9684
_journal_page_last               9692
_journal_paper_doi               10.1021/ic900479w
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C80 H60 Cl10 O5 P4 Pt2'
_chemical_formula_weight         1969.84
_chemical_name_common            B1
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.565(2)
_cell_length_b                   12.9527(7)
_cell_length_c                   23.9535(15)
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_cell_measurement_temperature    223(2)
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_cell_measurement_theta_min      2.29
_cell_volume                     7512.7(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            26185
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    4.214
_exptl_absorpt_correction_T_max  0.8495
_exptl_absorpt_correction_T_min  0.6780
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'LIGHT PURPLE'
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3864
_exptl_crystal_size_max          0.10
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_exptl_crystal_size_min          0.04
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_refine_ls_number_reflns         8608
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_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1008P)^2^+7.4478P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1555
_refine_ls_wR_factor_ref         0.1673
_reflns_number_gt                6437
_reflns_number_total             8608
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900479w_si_002_3.cif
_cod_data_source_block           8131a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        7512.8(8)
_cod_database_code               4303364