Crystallography Open Database

Information card for entry 7714188

Preview

Coordinates	7714188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H9 Co6 O17 P
Calculated formula	C22 H9 Co6 O17 P
SMILES	C([Co]12(C#[O])(C#[O])[Co]3(C#[O])(C#[O])(C#[O])[Co]1(C#[O])(C#[O])(C#[O])[P]23[Co]1234(C#[O])C(=O)[Co]563(C#[O])(C#[O])C(=O)[Co]46(C#[O])(C#[O])(C1=O)C25C(C)(C)C)#[O]
Title of publication	Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals
Authors of publication	Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.6816 ± 0.0006 Å
b	11.1058 ± 0.0006 Å
c	17.5276 ± 0.0011 Å
α	81.547 ± 0.005°
β	83.899 ± 0.005°
γ	68.045 ± 0.006°
Cell volume	1547.93 ± 0.18 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286938 (current)	2023-10-13	cif/ Adding structures of 7714185, 7714186, 7714187, 7714188 via cif-deposit CGI script.	7714188.cif