Crystallography Open Database

Information card for entry 4513379

Preview

Coordinates	4513379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 N3 O4 Zn
Calculated formula	C10 H5 N3 O4 Zn
Title of publication	Solvent-Induced Topological Diversity of Two Zn(II) Metal‒Organic Frameworks and High Sensitivity in Recyclable Detection of Nitrobenzene
Authors of publication	Chen, Di-Ming; Ma, Xiao-Zhou; Shi, Wei; Cheng, Peng
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	3999
a	20.4409 ± 0.0014 Å
b	11.9176 ± 0.0014 Å
c	14.9473 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3641.3 ± 0.6 Å³
Cell temperature	139 K
Ambient diffraction temperature	139 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P n c a
Hall space group symbol	-P 2a 2n
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
154568 (current)	2015-09-05	cif/ Updating files of 4513379, 4513380 Original log message: Adding full bibliography for 4513379--4513380.cif.	4513379.cif
141415	2015-07-09	cif/ Adding structures of 4513379, 4513380 via cif-deposit CGI script.	4513379.cif