Crystallography Open Database

Information card for entry 7054593

Preview

Coordinates	7054593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 Cl2 N5 Ni O9
Calculated formula	C26 H25 Cl2 N5 Ni O9
SMILES	[Ni]1234([OH2])[n]5c(cccc5)C[N]1(Cc1[n]2cccc1)Cc1[n]3c2c(ccc3ccc([n]4c23)C)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand
Authors of publication	Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	3
Pages of publication	1734
a	15.5059 ± 0.0003 Å
b	11.4074 ± 0.0002 Å
c	16.1421 ± 0.0003 Å
α	90°
β	100.036 ± 0.0016°
γ	90°
Cell volume	2811.56 ± 0.09 Å³
Cell temperature	99.99 ± 0.17 K
Ambient diffraction temperature	99.99 ± 0.17 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180099 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45.	7054593.cif
133462	2015-03-06	cif/ Updating files of 7054593, 7054594 Original log message: Adding full bibliography for 7054593--7054594.cif.	7054593.cif
128771	2014-12-16	cif/ Adding structures of 7054593, 7054594 via cif-deposit CGI script.	7054593.cif