Crystallography Open Database

Information card for entry 4508262

Preview

Coordinates	4508262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N6 Ni2 O14
Calculated formula	C34 H20 N6 Ni2 O14
Title of publication	A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption
Authors of publication	Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	9
Pages of publication	4125
a	19.8663 ± 0.0004 Å
b	21.8289 ± 0.0003 Å
c	11.6384 ± 0.0002 Å
α	90°
β	116.935 ± 0.003°
γ	90°
Cell volume	4499.6 ± 0.18 Å³
Cell temperature	100.01 ± 0.13 K
Ambient diffraction temperature	100.01 ± 0.13 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1977
Weighted residual factors for all reflections included in the refinement	0.2041
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179618 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/82.	4508262.cif
88979	2013-10-09	cif/ Adding structures of 4508262, 4508263, 4508264, 4508265 via cif-deposit CGI script.	4508262.cif