Crystallography Open Database

Information card for entry 7029213

Preview

Coordinates	7029213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N8 Ni O6
Calculated formula	C28 H22 N8 Ni O6
Title of publication	Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes.
Authors of publication	Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	145 - 151
a	12.9802 ± 0.0006 Å
b	13.9605 ± 0.0006 Å
c	15.0889 ± 0.0006 Å
α	90°
β	102.463 ± 0.004°
γ	90°
Cell volume	2669.8 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179998 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92.	7029213.cif
105542	2014-03-12	cif/ Adding structures of 7029210, 7029211, 7029212, 7029213 via cif-deposit CGI script.	7029213.cif