Crystallography Open Database

Information card for entry 7248046

Preview

Coordinates	7248046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H18 Cl4 Co N2 O
Calculated formula	C7 H18 Cl4 Co N2 O
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].O.[NH+]12CCC(C([NH3+])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	6.5731 ± 0.0015 Å
b	16.213 ± 0.004 Å
c	13.002 ± 0.003 Å
α	90°
β	91.784 ± 0.007°
γ	90°
Cell volume	1384.9 ± 0.6 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289184 (current)	2024-01-23	cif/ Adding structures of 7248043, 7248044, 7248045, 7248046, 7248047, 7248048 via cif-deposit CGI script.	7248046.cif