Crystallography Open Database

Information card for entry 7060225

Preview

Coordinates	7060225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18.5 N Ni O7.75
Calculated formula	C15 H17 N Ni O7.75
Title of publication	Nickel(ii) di-aqua complex containing a water cluster: synthesis, X-ray structure and catecholase activity
Authors of publication	Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Mudi, Prafullya Kumar; Biswas, Bhaskar; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	4
Pages of publication	2221 - 2227
a	12.343 ± 0.002 Å
b	14.617 ± 0.003 Å
c	18.348 ± 0.003 Å
α	81.497 ± 0.009°
β	89.659 ± 0.008°
γ	89.249 ± 0.009°
Cell volume	3273.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0701
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261735 (current)	2021-02-05	cif/ Updating files of 7060225 Original log message: Adding full bibliography for 7060225.cif.	7060225.cif
260340	2021-01-01	cif/ Adding structures of 7060225 via cif-deposit CGI script.	7060225.cif