Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films
Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter; Journal of the American Chemical Society 135 (2013) 12588–12591; doi:10.1021/ja407014w

data_4120413
_publ_section_title
;
 Volatile and Thermally Stable Mid to Late Transition Metal Complexes
 Containing \a-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent,
 and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12588
_journal_page_last               12591
_journal_paper_doi               10.1021/ja407014w
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C27 H53 N2 Ni O3'
_chemical_formula_weight         512.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           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_creation_method           SHELXL-97
_cell_angle_alpha                79.170(6)
_cell_angle_beta                 74.612(6)
_cell_angle_gamma                70.558(5)
_cell_formula_units_Z            1
_cell_length_a                   7.7457(10)
_cell_length_b                   9.8404(12)
_cell_length_c                   10.4432(13)
_cell_measurement_temperature    100(2)
_cell_volume                     719.34(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            89232
_diffrn_reflns_theta_full        40.70
_diffrn_reflns_theta_max         40.70
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.702
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_F_000             281
_refine_diff_density_max         0.752
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.20(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.792
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         16757
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.792
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                15964
_reflns_number_total             16757
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja407014w_si_002_2.cif
_cod_data_source_block           lk916_2_p55a_p1_s
_cod_database_code               4120413