Crystallography Open Database

Information card for entry 2023463

2023462 << 2023463 >> 2023464

Preview

Coordinates	2023463.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>R</i>,<i>R</i>)-<i>N</i>^1^-(2-Hydroxyethyl)-<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-trimethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride
Formula	C11 H26 Cl5 Fe N2 O
Calculated formula	C11 H26 Cl5 Fe N2 O
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	7.607 ± 0.0005 Å
b	11.587 ± 0.0006 Å
c	21.8705 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1927.7 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
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
299933 (current)	2025-06-03	cif/ Updating files of 2023463, 2023464 Original log message: Adding full bibliography for 2023463--2023464.cif.	2023463.cif
299232	2025-04-09	cif/ Adding structures of 2023463, 2023464 via cif-deposit CGI script.	2023463.cif