Crystallography Open Database

Information card for entry 2244204

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Structure parameters

Chemical name	Bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II)
Formula	C46 H42 N4 Ni O4
Calculated formula	C46 H42 N4 Ni O4
SMILES	[Ni]12([N](=Cc3ccc(cc3)C)N=C(O1)c1ccc(OCc3ccc(cc3)C)cc1)[N](=Cc1ccc(cc1)C)N=C(O2)c1ccc(OCc2ccc(cc2)C)cc1
Title of publication	Crystal structure of bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II)
Authors of publication	Banna, Md. Hasan Al; Howlader, Md. Belayet Hossain; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	10
Pages of publication	1081 - 1083
a	4.6914 ± 0.0002 Å
b	13.0677 ± 0.0007 Å
c	16.9923 ± 0.0008 Å
α	68.441 ± 0.005°
β	83.739 ± 0.006°
γ	88.032 ± 0.006°
Cell volume	963.05 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
279106 (current)	2022-11-08	cif/ hkl/ Adding structures of 2244204 via cif-deposit CGI script.	2244204.cif 2244204.hkl