Crystallography Open Database

Information card for entry 7106726

Preview

Coordinates	7106726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 As N3 O5 Zn
Calculated formula	C18 H16 As N3 O5 Zn
Title of publication	A ligand-conformation driving chiral generation and symmetry-breaking crystallization of a zinc(II) organoarsonate
Authors of publication	Tian-Hua Zhou; Jian Zhang; Hai-Xia Zhang; Rui Feng; Jiang-Gao Mao
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	8862
a	8.806 ± 0.002 Å
b	9.5007 ± 0.0015 Å
c	11.49 ± 0.003 Å
α	90°
β	111.951 ± 0.014°
γ	90°
Cell volume	891.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	0.669
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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