Crystal structure of bis(acetylacetonato)bis(quinoline)nickel(II), Ni(C~5~H~14~O~2~N)~2~(C~9~H~7~N)~2~
Zukerman-Schpector, J.; Caracelli, I.; Trindade, A. C.; Cussigh, O.; Dunstan, P. O.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 159–160; doi:

data_8101946
_publ_section_title
;
Crystal structure of bis(acetylacetonato)bis(quinoline)nickel(II), 
Ni(C~5~H~14~O~2~N)~2~(C~9~H~7~N)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              159
_journal_page_last               160
_journal_volume                  221
_journal_year                    2006
_chemical_formula_moiety         'C28 H28 N2 Ni O4'
_chemical_formula_sum            'C28 H28 N2 Ni O4'
_chemical_formula_weight         515.21
_chemical_name_systematic
; 
bis(acetylacetonato)bis(quinoline)nickel(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                97.15(1)
_cell_angle_beta                 106.68(1)
_cell_angle_gamma                94.686(9)
_cell_formula_units_Z            1
_cell_length_a                   7.9202(6)
_cell_length_b                   8.0496(6)
_cell_length_c                   10.246(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.90
_cell_measurement_theta_min      10.94
_cell_volume                     616.12(10)
_computing_cell_refinement       'Nonius CAD-4, 1998'
_computing_data_collection       'Nonius CAD-4, 1998'
_computing_data_reduction        'XCAD4 - CAD4'
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'PARST, PLATON, WiGX'
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius CAD4'
_diffrn_measurement_method       theta/2theta
_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  0.0106
_diffrn_reflns_av_sigmaI/netI    0.0187
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2437
_diffrn_reflns_theta_full        25.47
_diffrn_reflns_theta_max         25.47
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_time  30
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.824
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             270
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         2296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0280
_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^)+(0.0454P)^2^+0.1411P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                2152
_reflns_number_total             2296
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1743.cff
_cod_data_source_block           jzs-0106
_cod_original_cell_volume        616.12(9)
_cod_database_code               8101946