Bis{4-(allyloxy)-N′-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)
Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio; IUCrData 10 (2025) x250120–; doi:10.1107/S2414314625001208

data_1573925
_publ_section_title
;
 Bis{4-(allyloxy)-N&#x2032;-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)
;
_journal_coeditor_code           BX4033
_journal_issue                   2
_journal_name_full               IUCrData
_journal_page_first              x250120
_journal_paper_doi               10.1107/S2414314625001208
_journal_volume                  10
_journal_year                    2025
_chemical_formula_iupac          '[Ni (C25 H31 N2 O3)2]'
_chemical_formula_moiety         'C50 H62 N4 Ni O6'
_chemical_formula_sum            'C50 H62 N4 Ni O6'
_chemical_formula_weight         873.74
_chemical_name_common
Bis{4-(allyloxy)-<i>N</i>'-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)
_chemical_name_systematic
Bis(<i>N</i>'-{[4-(octyloxy)phenyl]methylidene}-4-(prop-2-en-1-yloxy)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                86.599(6)
_cell_angle_beta                 83.723(6)
_cell_angle_gamma                82.426(6)
_cell_formula_units_Z            1
_cell_length_a                   5.5532(3)
_cell_length_b                   12.0594(5)
_cell_length_c                   17.0230(8)
_cell_measurement_reflns_used    8635
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.04
_cell_volume                     1122.11(10)
_computing_cell_refinement
;
RAPID-AUTO (Rigaku, 2010)
;
_computing_data_collection
;
RAPID-AUTO (Rigaku, 2010)
;
_computing_data_reduction
;
RAPID-AUTO (Rigaku, 2010)
;
_computing_molecular_graphics
;
CrystalStructure (Rigaku, 2019
;
_computing_structure_refinement
;
<i>SHELXL2019/2</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT2014/5</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_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  0.0333
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.459
_diffrn_reflns_theta_min         2.889
_exptl_absorpt_coefficient_mu    0.486
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Rigaku, 1995)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_description       platelet
_exptl_crystal_F_000             466
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         5100
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0441
_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^)+(0.0373P)^2^+0.4947P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                4014
_reflns_number_total             5100
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bx4033.cif
_cod_data_source_block           I
_cod_original_cell_volume        1122.13(9)
_cod_database_code               1573925
_shelx_estimated_absorpt_t_min   0.935
_shelx_estimated_absorpt_t_max   0.990
_shelx_hkl_checksum              45135
_shelx_res_checksum              44638