Crystallography Open Database

Information card for entry 7242105

Preview

Coordinates	7242105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 Cl Fe N6 O
Calculated formula	C13 H20 Cl Fe N6 O
Title of publication	Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight
Authors of publication	Basak, Tanmoy; Gómez-García, Carlos J.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	6
Pages of publication	3315 - 3323
a	11.143 ± 0.003 Å
b	13.276 ± 0.003 Å
c	11.981 ± 0.003 Å
α	90°
β	108.225 ± 0.006°
γ	90°
Cell volume	1683.5 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.205
Weighted residual factors for all reflections included in the refinement	0.2336
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
261017 (current)	2021-01-17	cif/ Adding structures of 7242104, 7242105 via cif-deposit CGI script.	7242105.cif