Crystallography Open Database

Information card for entry 7226268

Preview

Coordinates	7226268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Fe N10 Ni O6
Calculated formula	C16 H36 Fe N10 Ni O6
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	10.2754 ± 0.0003 Å
b	16.2306 ± 0.0004 Å
c	8.8043 ± 0.0003 Å
α	90°
β	111.265 ± 0.003°
γ	90°
Cell volume	1368.37 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
187052 (current)	2016-10-08	cif/ Updating files of 7226268, 7226269, 7226270 Original log message: Adding full bibliography for 7226268--7226270.cif.	7226268.cif
185850	2016-08-17	cif/ Adding structures of 7226268, 7226269, 7226270 via cif-deposit CGI script.	7226268.cif