Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.
Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.; Dalton transactions (Cambridge, England : 2003) 46 (2016) 227–241; doi:10.1039/c6dt04094b

data_7041243
_publ_section_title
;
 Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II),
 Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              227
_journal_page_last               241
_journal_paper_doi               10.1039/c6dt04094b
_journal_volume                  46
_journal_year                    2016
_chemical_formula_moiety         'C31 H26 N4 P2 Se2'
_chemical_formula_sum            'C31 H26 N4 P2 Se2'
_chemical_formula_weight         674.42
_chemical_name_systematic
'[1-({3-diphenyl(selenylidene)-\l^5^-phosphanyl]-1H-pyrazol-1-yl}methyl)-1H-pyrazol-3-yl]diphenyl-\l^5^-phosphaselenone'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2016-10-23 deposited with the CCDC.
2016-11-23 downloaded from the CCDC.
;
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_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.6873(6)
_cell_length_b                   9.4183(3)
_cell_length_c                   18.1538(6)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.4473
_cell_measurement_theta_min      4.9594
_cell_volume                     2850.33(16)
_computing_cell_refinement       '<i>SAINT</i> (Bruker AXS, 2013a)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 100 CMOS'
_diffrn_measurement_method       '\w scans'
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_exptl_crystal_colour            'clear colourless'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0281P)^2^+1.2489P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
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_reflns_number_total             48861
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_cod_depositor_comments
'Adding full bibliography for 7041235--7041247.cif.'
_cod_original_cell_volume        2850.29(16)
_cod_database_code               7041243
_shelx_estimated_absorpt_t_min   0.465
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_shelxl_version_number           2013-2
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