Crystallography Open Database

Information card for entry 1562097

1562096 << 1562097 >> 1562098

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Coordinates	1562097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 Co5 N17 O17
Calculated formula	C16 H7 Co5 N16 O16
Title of publication	Selective adsorption in two porous triazolate‒oxalate-bridged antiferromagnetic metal-azolate frameworks obtained via in situ decarboxylation of 3-amino-1,2,4-triazole-5-carboxylic acid
Authors of publication	Hou, Juan-Juan; Xu, Xia; Jiang, Ning; Wu, Ya-Qin; Zhang, Xian-Ming
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	223
Pages of publication	73 - 78
a	11.8929 ± 0.0008 Å
b	12.7046 ± 0.0011 Å
c	14.8173 ± 0.0011 Å
α	79.434 ± 0.007°
β	80.124 ± 0.006°
γ	68.569 ± 0.007°
Cell volume	2035.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.0921
Weighted residual factors for significantly intense reflections	0.2585
Weighted residual factors for all reflections included in the refinement	0.2766
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
264533 (current)	2021-04-26	cif/ Adding structures of 1562096, 1562097 via cif-deposit CGI script.	1562097.cif