Crystallography Open Database

Information card for entry 1518857

Preview

Coordinates	1518857.cif
External links	PubChem

Structure parameters

Formula	C48 H92 O12 P2 Ru2
Calculated formula	C48 H92 O12 P2 Ru2
SMILES	[Ru]1234([Ru]([P](C5CCCCC5)(C5CCCCC5)C5CCCCC5)([O]2C)([O]=C(O3)C)(OC(=[O]1)C)(OC(=O)C)[O]4C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)OC(=O)C.OC.OC
Title of publication	Compromising the metal-metal bond in diruthenium(II,III) tetraacetate: Reaction of [Ru2(mu-O2CMe)4(MeOH)2]+ with phosphines to form 'Ru(mu-O2CMe)2(mu-OMe)2Ru' cores
Authors of publication	Elizabeth G. Corkum; Ruiyao Wang; Manuel A.S. Aquino
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	202 - 209
a	9.5805 ± 0.0005 Å
b	11.8587 ± 0.0006 Å
c	13.124 ± 0.0006 Å
α	76.919 ± 0.001°
β	79.294 ± 0.001°
γ	68.919 ± 0.001°
Cell volume	1346.19 ± 0.12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0297
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1518857.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518857.cif
133938	2015-03-15	cif/ Adding structures of 1518857 via cif-deposit CGI script.	1518857.cif