[1,2-Bis(diethylphosphino)ethane]dichloronickel(II)
Davies, Sian C.; Duff, Samantha E.; Evans, David J.; Acta Crystallographica Section E 61 (2005) m1674–m1676; doi:10.1107/S160053680502386X

data_2206788
_publ_section_title
;
 [1,2-Bis(diethylphosphino)ethane]dichloronickel(II)
;
_journal_coeditor_code           SJ6120
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1674
_journal_page_last               m1676
_journal_paper_doi               10.1107/S160053680502386X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         'C10 H24 Cl2 Ni P2'
_chemical_formula_structural     '[Ni Cl2 (C10 H24 P2)]'
_chemical_formula_sum            'C10 H24 Cl2 Ni P2'
_chemical_formula_weight         335.84
_chemical_name_common            '[Ni(depe)Cl2]'
_chemical_name_systematic
;
[1,2-bis(diethylphosphino)ethane]dichloronickel(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                91.51(2)
_cell_angle_beta                 98.18(2)
_cell_angle_gamma                112.27(2)
_cell_formula_units_Z            4
_cell_length_a                   8.947(2)
_cell_length_b                   14.082(8)
_cell_length_c                   13.604(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     1564.0(10)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1992)'
_computing_data_reduction        'CAD4 (Hursthouse, 1976)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Enraf--Nonius CAD-4'
_diffrn_measurement_method       'scintillation counter; \w/\q'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0108
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7878
_diffrn_reflns_theta_full        27.97
_diffrn_reflns_theta_max         28.0
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  167
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.759
_exptl_absorpt_correction_T_max  0.486
_exptl_absorpt_correction_T_min  0.395
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(EMPABS; Sheldrick et al., 1977)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.41
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.372
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         7514
_refine_ls_number_restraints     62
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.034P)^2^+0.317P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                5564
_reflns_number_total             7515
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj6120.cif
_cod_data_source_block           I
_cod_database_code               2206788
_cod_database_fobs_code          2206788