2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.
de Krom, Iris; Lutz, Martin; Müller, Christian; Dalton transactions (Cambridge, England : 2003) 44 (2015) 10304–10314; doi:10.1039/c5dt01261a

data_7034985
_publ_section_title
;
 2-(2'-Pyridyl)-4,6-diphenylphosphinine versus
 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of
 novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N
 and N,N ligands.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10304
_journal_page_last               10314
_journal_paper_doi               10.1039/c5dt01261a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C26 H16 Mo N2 O4'
_chemical_formula_sum            'C26 H16 Mo N2 O4'
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_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   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2015-03-25 deposited with the CCDC.
2015-05-07 downloaded from the CCDC.
;
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_cell_angle_gamma                103.596(2)
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_cell_measurement_temperature    150(2)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'coordinates from Cr-complex'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0099
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_min         1.808
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0182
_refine_ls_R_factor_gt           0.0177
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0186P)^2^+0.7084P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0462
_refine_ls_wR_factor_ref         0.0464
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4941
_reflns_number_total             5031
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01261a2.cif
_cod_data_source_block           l0485a
_cod_depositor_comments
'Adding full bibliography for 7034982--7034986.cif.'
_cod_original_cell_volume        1100.31(7)
_cod_database_code               7034985
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              38391