Crystallography Open Database

Information card for entry 1562402

Preview

Coordinates	1562402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 N5 O0.5 Zn1.5
Calculated formula	C10 N5 O0.5 Zn1.5
Title of publication	On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.
Authors of publication	Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao
Journal of publication	Faraday discussions
Year of publication	2021
Journal volume	231
Journal issue	0
Pages of publication	66 - 80
a	13.654 ± 0.0019 Å
b	14.936 ± 0.003 Å
c	14.311 ± 0.002 Å
α	90°
β	118.162 ± 0.011°
γ	90°
Cell volume	2573 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2035
Residual factor for significantly intense reflections	0.1738
Weighted residual factors for significantly intense reflections	0.4564
Weighted residual factors for all reflections included in the refinement	0.4704
Goodness-of-fit parameter for all reflections included in the refinement	1.66
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270454 (current)	2021-11-06	cif/ Updating files of 1562402, 1562403, 1562404, 1562405, 1562406, 1562407, 1562408, 1562409, 1562410, 1562411, 1562412 Original log message: Adding full bibliography for 1562402--1562412.cif.	1562402.cif
265029	2021-05-07	cif/ Adding structures of 1562402, 1562403, 1562404, 1562405, 1562406, 1562407, 1562408, 1562409, 1562410, 1562411, 1562412 via cif-deposit CGI script.	1562402.cif