A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.
Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū; Organic & biomolecular chemistry 3 (2005) 2910–2913; doi:10.1039/b505404d

data_7150184
_publ_section_title
;
 A C2-symmetric nickel diamine complex as an asymmetric catalyst for
 enecarbamate additions to butane-2,3-dione.
;
_journal_issue                   16
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2910
_journal_page_last               2913
_journal_paper_doi               10.1039/b505404d
_journal_volume                  3
_journal_year                    2005
_chemical_formula_moiety         'C30 H32 F6 N2 O8 Ni S2 '
_chemical_formula_sum            'C30 H32 F6 N2 Ni O8 S2'
_chemical_formula_weight         785.40
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2005-06-14
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 92.82(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.503(8)
_cell_length_b                   15.70(2)
_cell_length_c                   18.53(1)
_cell_measurement_reflns_used    22240
_cell_measurement_temperature    100.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3342(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9903
_diffrn_measured_fraction_theta_max 0.9903
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29278
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.924
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1616.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     492
_refine_ls_number_reflns         4965
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.0100
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
6419.4300 8908.6800 3224.1100
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0300
_reflns_number_gt                4933
_reflns_number_total             7603
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b505404d.txt
_cod_data_source_block           050314HK
_cod_original_cell_volume        3342(4)
_cod_original_formula_sum        'C30 H32 F6 N2 O8 Ni S2 '
_cod_database_code               7150184