Crystallography Open Database

Information card for entry 7216811

Preview

Coordinates	7216811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N10 Ni2 O16
Calculated formula	C32 H34 N10 Ni2 O16
Title of publication	A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands
Authors of publication	Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6380
a	9.2436 ± 0.0005 Å
b	11.0384 ± 0.0005 Å
c	22.7044 ± 0.0009 Å
α	91.226 ± 0.004°
β	91.585 ± 0.004°
γ	113.366 ± 0.005°
Cell volume	2124.51 ± 0.19 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	0.0876
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216811.cif
118213	2014-06-27	cif/ Adding structures of 7216808, 7216809, 7216810, 7216811, 7216812, 7216813, 7216814, 7216815 via cif-deposit CGI script.	7216811.cif