Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions.
González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J; Dalton transactions (Cambridge, England : 2003) 40 (2011) 9116–9122; doi:10.1039/c1dt10972c

data_7016571
_publ_section_title
;
 Reduction of CO(2) and SO(2) with low valent nickel compounds under
 mild conditions.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9116
_journal_page_last               9122
_journal_paper_doi               10.1039/c1dt10972c
_journal_volume                  40
_journal_year                    2011
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C44 H96 Ni2 O2 P6 '
_chemical_formula_sum            'C44 H96 Ni2 O2 P6'
_chemical_formula_weight         960.45
_chemical_name_systematic
;
{[(dippe)Ni(CO)]2(mu-dippe)}
;
_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
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2010-03-03T15:59:46-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                102.320(6)
_cell_angle_beta                 91.092(6)
_cell_angle_gamma                112.112(7)
_cell_formula_units_Z            1
_cell_length_a                   8.7220(6)
_cell_length_b                   11.5158(8)
_cell_length_c                   14.3744(10)
_cell_measurement_reflns_used    5413
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      67.9937
_cell_measurement_theta_min      4.2631
_cell_measurement_wavelength     0.71073
_cell_volume                     1298.88(18)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0070891
_diffrn_orient_matrix_UB_12      0.0592171
_diffrn_orient_matrix_UB_13      -0.0856901
_diffrn_orient_matrix_UB_21      -0.0495764
_diffrn_orient_matrix_UB_22      -0.1337837
_diffrn_orient_matrix_UB_23      -0.0689466
_diffrn_orient_matrix_UB_31      -0.1851576
_diffrn_orient_matrix_UB_32      -0.0264376
_diffrn_orient_matrix_UB_33      0.0091898
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8546
_diffrn_reflns_theta_full        68.11
_diffrn_reflns_theta_max         68.11
_diffrn_reflns_theta_min         4.27
_exptl_absorpt_coefficient_mu    2.881
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.2879
_exptl_crystal_size_mid          0.1852
_exptl_crystal_size_min          0.0495
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         4721
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+2.6979P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0957
_reflns_number_gt                4010
_reflns_number_total             4721
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c1dt10972c.txt
_cod_data_source_block           1
_cod_database_code               7016571