Formation Study and X-ray Structures of Dinuclear β-Diketonate Copper(I) Complexes with Conjugated Ene-Yne Lewis Base. Implications for the Use of (hfac)Cu(MHY) as a Precursor for Copper CVD
T.-Y. Chen; J. Vaissermann; P. Doppelt; Inorganic Chemistry 40 (2001) 6167–6171; doi:10.1021/ic010502t

data_4320578
_publ_contact_author
;
Dr. Pascal Doppelt, Groupe CVD, ESPCI-CNRS, 10 rue Vauquelin,
75231 Paris cedex 05, France
;
_publ_contact_author_email       'Pascal.Doppelt@espci.fr '
_publ_contact_author_fax         '33 1 40 79 44 25 '
_publ_contact_author_phone       '33 1 40 79 45 28 '
_publ_section_title
;
 Formation Study and X-ray Structures of Dinuclear \b-Diketonate Copper(I)
 Complexes with Conjugated Ene-Yne Lewis Base. Implications for the Use of
 (hfac)Cu(MHY) as a Precursor for Copper CVD
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6167
_journal_page_last               6171
_journal_paper_doi               10.1021/ic010502t
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C17 H12 Cu2 F12 O4 '
_chemical_formula_sum            'C17 H12 Cu2 F12 O4'
_chemical_formula_weight         635.35
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                94.95(2)
_cell_angle_beta                 98.15(2)
_cell_angle_gamma                100.27(2)
_cell_formula_units_Z            4
_cell_length_a                   11.112(3)
_cell_length_b                   13.472(4)
_cell_length_c                   15.747(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      13.5
_cell_measurement_theta_min      13
_cell_volume                     2281.0(10)
_computing_cell_refinement       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction
;
RC93 (Watkin, D.J., Prout, C.K., Lilley, P.M.deQ. 1994)
;
_computing_molecular_graphics
;
  CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Enraf-nonius CAD4 '
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9443
_diffrn_reflns_theta_max         26
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        3.39
_diffrn_standards_interval_time  3600
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.99
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_type   DIFABS
_exptl_absorpt_process_details   'refined from delta-F'
_exptl_crystal_colour            'yellow '
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_description       'block '
_exptl_crystal_F_000             1240.83
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.52
_refine_ls_extinction_coef       165
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_obs   3.2
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         5507
_refine_ls_R_factor_obs          0.0495
_refine_ls_shift/esd_max         0.7286
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0499
_reflns_number_observed          5507
_reflns_number_total             8953
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            ic010502t_2.cif
_cod_data_source_block           Compound[Cu2(hfac)2(MHY)]
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct_Methods' was changed to
'direct'.

'_atom_sites_solution_hydrogens' value 'Geometric' was changed to
'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        2281(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C17 H12 Cu2 F12 O4 '
_cod_database_code               4320578