1,1'-Bis(di-tert-butylphosphino)ferrocene copper(i) complex catalyzed C-H activation and carboxylation of terminal alkynes.
Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 20874–20882; doi:10.1039/c5dt03794h

data_7037048
_publ_section_title
;
 1,1'-Bis(di-tert-butylphosphino)ferrocene copper(i) complex catalyzed C-H
 activation and carboxylation of terminal alkynes.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20874
_journal_page_last               20882
_journal_paper_doi               10.1039/c5dt03794h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C52 H88 Cu6 Fe2 I6 P4, 2(C2 H3 N)'
_chemical_formula_sum            'C56 H94 Cu6 Fe2 I6 N2 P4'
_chemical_formula_weight         2173.55
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2015-05-20 deposited with the CCDC.
2015-11-02 downloaded from the CCDC.
;
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_cell_angle_gamma                105.503(3)
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_cell_volume                     1760.87(18)
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_wavelength     0.71073
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_refine_ls_R_factor_all          0.0495
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0426P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0939
_reflns_Friedel_coverage         0.000
_reflns_number_gt                45561
_reflns_number_total             55260
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt03794h2.cif
_cod_data_source_block           r5514t5
_cod_depositor_comments
'Adding full bibliography for 7037047--7037048.cif.'
_cod_database_code               7037048
_shelx_estimated_absorpt_t_min   0.259
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