Crystallography Open Database

Information card for entry 7227239

Preview

Coordinates	7227239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Fe N8 O3
Calculated formula	C26 H26 Fe N8 O3
SMILES	[Fe]123([n]4ccccc4N([N]1=CC=[N]2N(c1[n]3cccc1)c1ccccc1)c1ccccc1)(C#N)C#N.O.O.O
Title of publication	Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand
Authors of publication	Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P.
Journal of publication	RSC Adv.
Year of publication	2016
a	16.979 ± 0.005 Å
b	15.13 ± 0.005 Å
c	10.163 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	2610.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n 21 a
Hall space group symbol	P -2ac -2n
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	0.813
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
188971 (current)	2016-12-06	cif/ Adding structures of 7227239, 7227240 via cif-deposit CGI script.	7227239.cif