Crystallography Open Database

Information card for entry 8106807

Preview

Coordinates	8106807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 O8 Zn
Calculated formula	C16 H18 O8 Zn
Title of publication	Crystal structure of diaquabis(phenoxyacetato-κ2 O,O′)-zinc(II), C16H18O8Zn
Authors of publication	Xiao, Wei; Yuan, Hou-Qun; Li, Yan-Xia; Hu, Chun-Yan; Bao, Guang-Ming
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	139 - 140
a	11.612 ± 0.002 Å
b	5.2119 ± 0.0011 Å
c	13.762 ± 0.003 Å
α	90°
β	101.151 ± 0.003°
γ	90°
Cell volume	817.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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