Crystallography Open Database

Information card for entry 7222437

Preview

Coordinates	7222437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.25 H55.75 N20.38 Ni3 O12.38
Calculated formula	C30 H18 N15 Ni3 O7
Title of publication	Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption
Authors of publication	Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8198
a	23.29 ± 0.003 Å
b	23.29 ± 0.003 Å
c	23.29 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	12633 ± 3 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
171058 (current)	2015-12-09	cif/ Updating files of 7222437, 7222438 Original log message: Adding full bibliography for 7222437--7222438.cif.	7222437.cif
160417	2015-10-06	cif/ Adding structures of 7222437, 7222438 via cif-deposit CGI script.	7222437.cif