A terminal nickel(ii) anilide complex featuring an unsymmetrically substituted amido pincer ligand: synthesis and reactivity.
Liang, Lan-Chang; Li, Chun-Wei; Lee, Pei-Ying; Chang, Chih-Hsiang; Man Lee, Hon; Dalton transactions (Cambridge, England : 2003) 40 (2011) 9004–9011; doi:10.1039/c1dt10191a

data_7016305
_publ_section_title
;
 A terminal nickel(ii) anilide complex featuring an unsymmetrically
 substituted amido pincer ligand: synthesis and reactivity.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9004
_journal_page_last               9011
_journal_paper_doi               10.1039/c1dt10191a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         ' C30 H32 Cl N Ni P2, C7 H8'
_chemical_formula_sum            'C37 H40 Cl N Ni P2'
_chemical_formula_weight         654.80
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                110.914(5)
_cell_angle_beta                 92.567(7)
_cell_angle_gamma                91.650(6)
_cell_formula_units_Z            4
_cell_length_a                   12.365(4)
_cell_length_b                   15.097(5)
_cell_length_c                   18.987(6)
_cell_measurement_reflns_used    105
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      17.2
_cell_measurement_theta_min      2.9
_cell_volume                     3303.7(19)
_computing_cell_refinement       'APEX2 v1.0-22'
_computing_data_collection       'APEX2 v1.0-22 (Bruker, 2004)'
_computing_data_reduction        'APEX2 v1.0-22'
_computing_molecular_graphics    'SHELXTL 5.1'
_computing_publication_material  'SHELXTL 5.1'
_computing_structure_refinement  'SHELXTL 5.1'
_computing_structure_solution    'SHELXTL 5.1 (Sheldrick, 1998)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX II'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1485
_diffrn_reflns_av_sigmaI/netI    0.2394
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33153
_diffrn_reflns_theta_full        26.25
_diffrn_reflns_theta_max         26.25
_diffrn_reflns_theta_min         1.15
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_T_max  0.9394
_exptl_absorpt_correction_T_min  0.7802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'plate '
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.784
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.897
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         13305
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      0.909
_refine_ls_R_factor_all          0.1945
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0762P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1268
_refine_ls_wR_factor_ref         0.1795
_reflns_number_gt                5499
_reflns_number_total             13305
_reflns_threshold_expression     I>2\s
_cod_data_source_file            c1dt10191a.txt
_cod_data_source_block           ply3172
_cod_original_cell_volume        3303.7(18)
_cod_database_code               7016305