Crystallography Open Database

Information card for entry 7248216

Preview

Coordinates	7248216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 Cl2 Fe N O4
Calculated formula	C9 H18 Cl2 Fe N O4
Title of publication	Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity
Authors of publication	Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	13
Pages of publication	1892 - 1901
a	11.2146 ± 0.0005 Å
b	8.5542 ± 0.0003 Å
c	15.9856 ± 0.0007 Å
α	90°
β	109.469 ± 0.004°
γ	90°
Cell volume	1445.85 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0807
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290888 (current)	2024-04-05	cif/ Updating files of 7248214, 7248215, 7248216, 7248217 Original log message: Adding full bibliography for 7248214--7248217.cif.	7248216.cif
289944	2024-02-24	cif/ Adding structures of 7248214, 7248215, 7248216, 7248217 via cif-deposit CGI script.	7248216.cif