Crystallography Open Database

Information card for entry 8000275

Preview

Coordinates	8000275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H9 N3 O6 Zn
Calculated formula	C4 H9 N3 O6 Zn
Title of publication	Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.
Authors of publication	Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang
Journal of publication	The journal of physical chemistry letters
Year of publication	2018
Pages of publication	751 - 755
a	8.301 ± 0.0003 Å
b	11.6888 ± 0.0005 Å
c	8.9533 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	868.73 ± 0.06 Å³
Cell temperature	120.12 ± 0.19 K
Ambient diffraction temperature	120.12 ± 0.19 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.289
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000275.cif
206157	2018-02-04	cif/ Adding structures of 8000275 via cif-deposit CGI script.	8000275.cif