Crystallography Open Database

Information card for entry 7215118

Preview

Coordinates	7215118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Co N3 O4
Calculated formula	C21 H19 Co N3 O4
Title of publication	Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties
Authors of publication	Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	42
Pages of publication	22603
a	11.7678 ± 0.0014 Å
b	17.166 ± 0.002 Å
c	19.269 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3892.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180482 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/51.	7215118.cif
111084	2014-04-20	cif/ Adding structures of 7215115, 7215116, 7215117, 7215118 via cif-deposit CGI script.	7215118.cif