Crystallography Open Database

Information card for entry 7226270

Preview

Coordinates	7226270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 Cr N10 Ni
Calculated formula	C16 Cr N10 Ni
Title of publication	Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+
Authors of publication	Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	37
Pages of publication	7011
a	9.8002 ± 0.0014 Å
b	11.9983 ± 0.0017 Å
c	10.126 ± 0.0011 Å
α	90°
β	102.646 ± 0.019°
γ	90°
Cell volume	1161.8 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2233
Residual factor for significantly intense reflections	0.1852
Weighted residual factors for all reflections	0.1895
Weighted residual factors for significantly intense reflections	0.1839
Goodness-of-fit parameter for all reflections	3.37
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKaradiation
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
187052 (current)	2016-10-08	cif/ Updating files of 7226268, 7226269, 7226270 Original log message: Adding full bibliography for 7226268--7226270.cif.	7226270.cif
185850	2016-08-17	cif/ Adding structures of 7226268, 7226269, 7226270 via cif-deposit CGI script.	7226270.cif