Crystallography Open Database

Information card for entry 7117948

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Coordinates	7117948.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hydrazinium zinc formate
Formula	C3 H8 N2 O6 Zn
Calculated formula	C3 H8 N2 O6 Zn
Title of publication	Role of entropic effects in controlling the polymorphism in formate ABX3 metal-organic frameworks
Authors of publication	Gregor Kieslich; Shohei Kumagai; Keith T. Butler; Takuro Okamura; Christopher H. Hendon; Shijing Sun; Masahiro Yamashita; Aron Walsh; Anthony K. Cheetham
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15538
a	7.29731 ± 0.00006 Å
b	7.94804 ± 0.00007 Å
c	13.8224 ± 0.00012 Å
α	90°
β	90°
γ	90°
Cell volume	801.69 ± 0.012 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0151
Residual factor for significantly intense reflections	0.0144
Weighted residual factors for significantly intense reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.0375
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
169189 (current)	2015-10-20	cif/ Adding structures of 7117948 via cif-deposit CGI script.	7117948.cif