Crystallography Open Database

Information card for entry 7223263

Preview

Coordinates	7223263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H110 N12 Ni2 O29
Calculated formula	C53 H104 N12 Ni2 O29
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	37.526 ± 0.008 Å
b	8.8468 ± 0.0018 Å
c	29.72 ± 0.006 Å
α	90°
β	127.61 ± 0.03°
γ	90°
Cell volume	7816 ± 4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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.	7223263.cif
170347	2015-11-17	cif/ Adding structures of 7223263, 7223264, 7223265, 7223266, 7223267, 7223268, 7223269, 7223270 via cif-deposit CGI script.	7223263.cif