Crystallography Open Database

Information card for entry 7062756

Preview

Coordinates	7062756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H3 Ir O12 Ru3
Calculated formula	C12 H3 Ir O12 Ru3
SMILES	[Ru]12([H][Ru]3([H][Ru]([H]1)([Ir]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Heterometallic Ru–Ir carbonyl clusters as catalyst precursors for hydrogenation and hydrogen transfer reactions
Authors of publication	Forti, Francesca; Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	41
Pages of publication	19289 - 19303
a	8.2134 ± 0.0005 Å
b	9.0794 ± 0.0006 Å
c	13.519 ± 0.0008 Å
α	82.711 ± 0.002°
β	80.357 ± 0.002°
γ	68.689 ± 0.002°
Cell volume	923.55 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0342
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287365 (current)	2023-11-06	cif/ Updating files of 7062755, 7062756, 7062757, 7062758 Original log message: Adding full bibliography for 7062755--7062758.cif.	7062756.cif
286483	2023-09-23	cif/ Adding structures of 7062755, 7062756, 7062757, 7062758 via cif-deposit CGI script.	7062756.cif