Crystallography Open Database

Information card for entry 7213916

Preview

Coordinates	7213916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H220 N60 Ni6 O26
Calculated formula	C168 H220 N60 Ni6 O26
Title of publication	Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties
Authors of publication	Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	805
a	8.1401 ± 0.0014 Å
b	18.984 ± 0.003 Å
c	35.484 ± 0.006 Å
α	97.85 ± 0.004°
β	94.141 ± 0.004°
γ	97.048 ± 0.004°
Cell volume	5368.9 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1636
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2149
Weighted residual factors for all reflections included in the refinement	0.2432
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7213916.cif
105208	2014-03-11	cif/ Adding structures of 7213916, 7213917, 7213918 via cif-deposit CGI script.	7213916.cif