Crystallography Open Database

Information card for entry 7225368

Preview

Coordinates	7225368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H62 N3 Ni3 O22.5
Calculated formula	C56 H34 Ni3 O22.5
Title of publication	Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties
Authors of publication	Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	28
Pages of publication	5386
a	12.8328 ± 0.0012 Å
b	16.1439 ± 0.0015 Å
c	16.2738 ± 0.0015 Å
α	84.645 ± 0.002°
β	79.837 ± 0.002°
γ	69.372 ± 0.002°
Cell volume	3104 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0806
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
185271 (current)	2016-08-07	cif/ Updating files of 7225368, 7225369 Original log message: Adding full bibliography for 7225368--7225369.cif.	7225368.cif
183160	2016-05-31	cif/ Adding structures of 7225368, 7225369 via cif-deposit CGI script.	7225368.cif