Crystallography Open Database

Information card for entry 1519702

1519701 << 1519702 >> 1519703

Preview

Coordinates	1519702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N16 Ni O2
Calculated formula	C28 H22 N16 Ni O2
Title of publication	A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)
Authors of publication	Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	60
Pages of publication	48596 - 48606
a	9.1787 ± 0.001 Å
b	15.2181 ± 0.0011 Å
c	10.3355 ± 0.0008 Å
α	90°
β	96.657 ± 0.008°
γ	90°
Cell volume	1434 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1519702.cif
136907	2015-05-18	cif/ Adding structures of 1519699, 1519700, 1519701, 1519702, 1519703, 1519704 via cif-deposit CGI script.	1519702.cif