Crystallography Open Database

Information card for entry 1519699

1519698 << 1519699 >> 1519700

Preview

Coordinates	1519699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 Cl8 Co5 N18
Calculated formula	C40 H46 Cl8 Co5 N18
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	11.5936 ± 0.0006 Å
b	11.9201 ± 0.0007 Å
c	12.1223 ± 0.0006 Å
α	63.593 ± 0.005°
β	88.025 ± 0.004°
γ	67.331 ± 0.005°
Cell volume	1365.41 ± 0.16 Å³
Cell temperature	299.4 ± 0.7 K
Ambient diffraction temperature	299.4 ± 0.7 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	0.1097
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	1519699.cif
136907	2015-05-18	cif/ Adding structures of 1519699, 1519700, 1519701, 1519702, 1519703, 1519704 via cif-deposit CGI script.	1519699.cif