Crystallography Open Database

Information card for entry 7209596

7209595 << 7209596 >> 7209597

Preview

Coordinates	7209596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N6 Ni O6
Calculated formula	C30 H30 N6 Ni O6
Title of publication	Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties
Authors of publication	Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	18
Pages of publication	3630
a	10.0375 ± 0.0014 Å
b	15.2234 ± 0.0018 Å
c	18.925 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2891.8 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180426 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/95.	7209596.cif
86049	2013-05-09	cif/ Adding structures of 7209590, 7209591, 7209592, 7209593, 7209594, 7209595, 7209596, 7209597 via cif-deposit CGI script.	7209596.cif