Syntheses and structures of thermally stable diketiminato complexes of gold and copper.
Carrera, Nora; Savjani, Nicky; Simpson, Jason; Hughes, David L.; Bochmann, Manfred; Dalton transactions (Cambridge, England : 2003) 40 (2011) 1016–1019; doi:10.1039/c0dt01422b

data_7014987
_publ_section_title
;
 Syntheses and structures of thermally stable diketiminato complexes of
 gold and copper.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1016
_journal_page_last               1019
_journal_paper_doi               10.1039/c0dt01422b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C21 H8 F18 N2'
_chemical_formula_structural     'Ar-NC(CF3)CHC(CF3)NH-Ar, Ar= C6H3(CF3)2-3,5'
_chemical_formula_sum            'C21 H8 F18 N2'
_chemical_formula_weight         630.29
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
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_audit_creation_method           'SHELXL-97 and CrysAlisPro RED'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.109(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.0973(13)
_cell_length_b                   7.9809(5)
_cell_length_c                   15.6913(10)
_cell_measurement_temperature    140(1)
_cell_volume                     2264.8(3)
_computing_cell_refinement
;
CrysAlisPro RED, Oxford Diffraction Ltd., Version 1.171.32.24
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_computing_data_collection
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CrysAlisPro CCD, Oxford Diffraction Ltd., Version 1.171.32.24
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_computing_data_reduction
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CrysAlisPro RED, Oxford Diffraction Ltd., Version 1.171.32.24
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_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(1)
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_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur 3/CCD'
_diffrn_measurement_method       'Thin slice \f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           Mo-K\a
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_diffrn_reflns_limit_k_max       10
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_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_full        27.50
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_diffrn_reflns_theta_min         3.78
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_exptl_absorpt_correction_T_max  1.116
_exptl_absorpt_correction_T_min  0.873
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CrysAlisPro RED, Oxford Diffraction Ltd., Version 1.171.32.24
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
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_refine_ls_R_factor_all          0.0758
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0619P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1085
_reflns_number_gt                1656
_reflns_number_total             2567
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            C0DT01422B.TXT
_cod_data_source_block           norac1
_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 1555 2011-01-17 13:19:09Z saulius 
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_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7014987