Crystal structure of bis-[4-(all-yloxy)-<i>N</i>'-(but-2-en-1-yl-idene)benzohydrazidato]nickel(II).
Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Sheikh, Md Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; Acta crystallographica. Section E, Crystallographic communications 79 (2023) 465–468; doi:10.1107/S2056989023002918

data_2022740
_publ_section_title
;
 Crystal structure of
 bis-[4-(all-yloxy)-<i>N</i>'-(but-2-en-1-yl-idene)benzohydrazidato]nickel(II).
;
_journal_coeditor_code           PK2680
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              465
_journal_page_last               468
_journal_paper_doi               10.1107/S2056989023002918
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '[Ni (C14 H15 N2 O2)2]'
_chemical_formula_moiety         'C28 H30 N4 Ni O4'
_chemical_formula_sum            'C28 H30 N4 Ni O4'
_chemical_formula_weight         545.27
_chemical_name_systematic
;
Bis[4-(allyloxy)-<i>N</i>'-(but-2-en-1-ylidene)benzohydrazidato]nickel(II)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/2
_cell_angle_alpha                84.027(6)
_cell_angle_beta                 88.091(6)
_cell_angle_gamma                84.170(6)
_cell_formula_units_Z            1
_cell_length_a                   8.0978(8)
_cell_length_b                   9.2021(9)
_cell_length_c                   9.3316(10)
_cell_measurement_reflns_used    8347
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.00
_cell_volume                     687.83(12)
_computing_cell_refinement
;
RAPID-AUTO (Rigaku, 2018)
;
_computing_data_reduction
;
RAPID-AUTO (Rigaku, 2018)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
WinGX publication routines (Farrugia, 2012)
;
_computing_structure_refinement
;
<i>SHELXL2019/2</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT2018/2</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6566
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         2.971
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>ABSCOR</i>; Higashi, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_description       prism
_exptl_crystal_F_000             286
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.637
_refine_diff_density_min         -0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         3120
_refine_ls_number_restraints     196
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0653P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                2678
_reflns_number_total             3120
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2680sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2022740.cif.'
_cod_database_code               2022740
_cod_database_fobs_code          2022740
_shelx_estimated_absorpt_t_min   0.813
_shelx_estimated_absorpt_t_max   0.923
_shelx_hkl_checksum              36212
_shelx_res_checksum              97731