Crystallography Open Database

Information card for entry 4102681

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Coordinates	4102681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 N O6 Zn
Calculated formula	C3 H7 N O6 Zn
Title of publication	Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3]
Authors of publication	Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	9588 - 9590
a	12.5919 ± 0.0003 Å
b	12.5919 ± 0.0003 Å
c	8.2015 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1126.18 ± 0.05 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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