Crystallography Open Database

Information card for entry 7209595

7209594 << 7209595 >> 7209596

Preview

Coordinates	7209595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 N9 Ni O4.5
Calculated formula	C32 H34 N9 Ni O4.5
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	10.1205 ± 0.0005 Å
b	11.8855 ± 0.0007 Å
c	13.4846 ± 0.0007 Å
α	91.532 ± 0.005°
β	92.938 ± 0.004°
γ	110.081 ± 0.005°
Cell volume	1519.72 ± 0.15 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0787
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7209595.cif
86049	2013-05-09	cif/ Adding structures of 7209590, 7209591, 7209592, 7209593, 7209594, 7209595, 7209596, 7209597 via cif-deposit CGI script.	7209595.cif