Crystallography Open Database

Information card for entry 2244185

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Structure parameters

Chemical name	Bis(benzamide-κ<i>O</i>)dichloridozinc(II)
Formula	C14 H14 Cl2 N2 O2 Zn
Calculated formula	C14 H14 Cl2 N2 O2 Zn
SMILES	[Zn](Cl)(Cl)([O]=C(N)c1ccccc1)[O]=C(N)c1ccccc1
Title of publication	Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride
Authors of publication	Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	9
Pages of publication	880 - 886
a	20.6241 ± 0.0011 Å
b	7.3309 ± 0.0004 Å
c	20.6485 ± 0.0011 Å
α	90°
β	90.532 ± 0.001°
γ	90°
Cell volume	3121.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.04 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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