Insertion and C-C coupling processes in reactions of the unsaturated hydride [W2Cp2(H)(μ-PCy2)(CO)2] with alkynes.
Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5274–5289; doi:10.1039/c5dt04724b

data_7038505
_publ_section_title
;
 Insertion and C-C coupling processes in reactions of the unsaturated
 hydride [W2Cp2(H)(\m-PCy2)(CO)2] with alkynes.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5274
_journal_page_last               5289
_journal_paper_doi               10.1039/c5dt04724b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C33 H41 O2 P W2'
_chemical_formula_sum            'C33 H41 O2 P W2'
_chemical_formula_weight         868.33
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
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;
2015-12-18 deposited with the CCDC.
2016-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   21.148(6)
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_cell_measurement_theta_min      2.373
_cell_measurement_wavelength     0.71073
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_computing_cell_refinement       'Brucker Smart'
_computing_data_collection       'Brucker Smart'
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_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-92 (Altomare, 1994)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 1
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_diffrn_measurement_device_type  'Smart-CCD-1000 BRUKER'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -11
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER Sadabs'
_exptl_crystal_colour            black
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: petroleum ether and toluene'
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_refine_ls_number_constraints    0
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_refine_ls_number_reflns         11748
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_refine_ls_R_factor_gt           0.0909
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1474P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2246
_refine_ls_wR_factor_ref         0.2633
_reflns_number_gt                6967
_reflns_number_total             11748
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04724b1.cif
_cod_data_source_block           compoundcis2a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_radiation_monochromador' tag replaced with
'_diffrn_radiation_monochromator' tag as specified in the replacement
file
'/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038505--7038507.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7038505