Crystallography Open Database

Information card for entry 7248048

Preview

Coordinates	7248048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Cl4 Co N2 O2
Calculated formula	C14 H28 Cl4 Co N2 O2
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].O[C@@H]1C2CC[NH+](C1)CC2.O[C@@H]1C2CC[NH+](C1)CC2
Title of publication	Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions
Authors of publication	Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	4
Pages of publication	439 - 451
a	9.5314 ± 0.0012 Å
b	15.705 ± 0.002 Å
c	38.49 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5761.6 ± 1.3 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	0.1199
Residual factor for significantly intense reflections	0.1011
Weighted residual factors for significantly intense reflections	0.2876
Weighted residual factors for all reflections included in the refinement	0.3132
Goodness-of-fit parameter for all reflections included in the refinement	1.258
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294326 (current)	2024-09-02	cif/7: Fixing some Z values and formulae	7248048.cif
289184	2024-01-23	cif/ Adding structures of 7248043, 7248044, 7248045, 7248046, 7248047, 7248048 via cif-deposit CGI script.	7248048.cif