Crystallography Open Database

Information card for entry 2204320

2204319 << 2204320 >> 2204321

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Structure parameters

Chemical name	(Acetato-κO)[butane-2,3-dione monooxime benzoylhydrazonato-κ^3^O,N^2^,O']bis(pyridine-κN)nickel(II)
Formula	C23 H25 N5 Ni O4
Calculated formula	C23 H25 N5 Ni O4
SMILES	[Ni]12([N](O)=C(C(=[N]1N=C(O2)c1ccccc1)C)C)([n]1ccccc1)([n]1ccccc1)OC(=O)C
Title of publication	(Acetato-κ<i>O</i>)[butane-2,3-dione monooxime benzoylhydrazonato-κ^3^<i>O</i>,<i>N</i>^2^,<i>O</i>']bis(pyridine-κ<i>N</i>)nickel(II)
Authors of publication	Huo, Li-Hua; Lu, Zhen-Zhong; Gao, Shan; Zhao, Hui
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	m1450 - m1452
a	12.378 ± 0.001 Å
b	14.77 ± 0.001 Å
c	13.3291 ± 0.0007 Å
α	90°
β	99.073 ± 0.004°
γ	90°
Cell volume	2406.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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