Crystallography Open Database

Information card for entry 1519704

1519703 << 1519704 >> 1519705

Preview

Coordinates	1519704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Mn N8 O4
Calculated formula	C14 H16 Mn N8 O4
SMILES	[Mn]12([OH2])([OH2])(n3nc(nc3c3nnc(n13)c1ccncc1)c1ccncc1)[n]1nc(n3c1c1[n]([Mn]3([OH2])[OH2])nc(n21)c1ccncc1)c1ccncc1.O.O.O.O
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	19.1314 ± 0.0003 Å
b	19.1314 ± 0.0003 Å
c	20.6667 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7564.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1519704.cif
136907	2015-05-18	cif/ Adding structures of 1519699, 1519700, 1519701, 1519702, 1519703, 1519704 via cif-deposit CGI script.	1519704.cif