Crystallography Open Database

Information card for entry 2023464

2023463 << 2023464 >> 2023465

Preview

Coordinates	2023464.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-Tetramethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride
Formula	C10 H24 Cl5 Fe N2
Calculated formula	C10 H24 Cl5 Fe N2
Title of publication	Synthesis and crystal structure study of (<i>R</i>,<i>R</i>)-TMCDA ethanol derivatives doubly protonated with FeCl<sub>4</sub> <sup>-</sup> and Cl<sup>-</sup> as counter-ions.
Authors of publication	Klotz, Franziska Dorothea; Alonso Felipe, Clara; Villafañe, Fernando; Strohmann, Carsten
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	372 - 376
a	10.2322 ± 0.0003 Å
b	9.2378 ± 0.0005 Å
c	10.7384 ± 0.0004 Å
α	90°
β	116.797 ± 0.001°
γ	90°
Cell volume	906.02 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
299933 (current)	2025-06-03	cif/ Updating files of 2023463, 2023464 Original log message: Adding full bibliography for 2023463--2023464.cif.	2023464.cif
299232	2025-04-09	cif/ Adding structures of 2023463, 2023464 via cif-deposit CGI script.	2023464.cif