Crystallography Open Database

Information card for entry 7714187

Preview

Coordinates	7714187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H7 Co6 O17 P
Calculated formula	C21 H7 Co6 O17 P
SMILES	[Co]1234([Co]56([Co]1(C#[O])(C35C(C)C)(C#[O])(C6=O)C4=O)(C#[O])(C2=O)C#[O])([P]12[Co]3([Co]1([Co]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])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	8.6531 ± 0.0004 Å
b	11.1862 ± 0.0005 Å
c	17.1189 ± 0.0008 Å
α	88.761 ± 0.004°
β	79.668 ± 0.004°
γ	68.32 ± 0.004°
Cell volume	1513.04 ± 0.13 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 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	0.0536
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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.	7714187.cif