Oxidative Dissolution of Copper and Zinc Metal in Carbon Dioxide with tert-Butyl Peracetate and a β-Diketone Chelating Agent
Visintin, Pamela M.; Bessel, Carol A.; White, Peter S.; Schauer, Cynthia K.; DeSimone, Joseph M.; Inorganic Chemistry 44 (2005) 316–324; doi:10.1021/ic049765o

data_4308434
_publ_section_title
;
 Oxidative Dissolution of Copper and Zinc Metal in Carbon Dioxide
 with tert-Butyl Peracetate and a \b-Diketone Chelating Agent
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              316
_journal_page_last               324
_journal_paper_doi               10.1021/ic049765o
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C12 H8 Cu F12 O7,  C12 H8 Cu F12 O7'
_chemical_formula_sum            'C24 H16 Cu2 F24 O14'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_angle_beta                 114.76(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
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_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT/NRCVAX'
_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'SMART 1K CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         28.07
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    1.321
_exptl_absorpt_correction_T_max  0.820
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale blue'
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1032
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_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0803P)^2^+7.1765P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1645
_refine_ls_wR_factor_ref         0.2024
_reflns_number_gt                4704
_reflns_number_total             9035
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049765osi20040222_031634.cif
_cod_data_source_block           c03100
_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        3735.8(3)
_cod_database_code               4308434