Crystallography Open Database

Information card for entry 7223268

Preview

Coordinates	7223268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H124 N12 Ni2 O32
Calculated formula	C61 H84 N12 Ni2 O12
Title of publication	Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons
Authors of publication	Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	4084
a	11.817 ± 0.002 Å
b	24.76 ± 0.005 Å
c	32.256 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	9438 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1482
Residual factor for significantly intense reflections	0.1202
Weighted residual factors for significantly intense reflections	0.3256
Weighted residual factors for all reflections included in the refinement	0.3528
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
185168 (current)	2016-08-07	cif/ Updating files of 7223263, 7223264, 7223265, 7223266, 7223267, 7223268, 7223269, 7223270 Original log message: Adding full bibliography for 7223263--7223270.cif.	7223268.cif
170347	2015-11-17	cif/ Adding structures of 7223263, 7223264, 7223265, 7223266, 7223267, 7223268, 7223269, 7223270 via cif-deposit CGI script.	7223268.cif