Crystallography Open Database

Information card for entry 7708702

Preview

Coordinates	7708702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 N2 O9 Ru2
Calculated formula	C25 H35 N2 O9 Ru2
SMILES	[Ru]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)O[Ru]12(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)n1[n]3c(cc1C)C
Title of publication	Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)
Authors of publication	Lahiri, Goutam Kumar; Bera, Sudip Kumar
Journal of publication	Dalton Transactions
Year of publication	2021
a	10.7709 ± 0.0004 Å
b	11.4776 ± 0.0004 Å
c	13.8804 ± 0.0007 Å
α	99.002 ± 0.004°
β	105.311 ± 0.004°
γ	107.152 ± 0.003°
Cell volume	1529.46 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0747
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
270312 (current)	2021-11-05	cif/ Adding structures of 7708699, 7708700, 7708701, 7708702, 7708703, 7708704, 7708705, 7708706 via cif-deposit CGI script.	7708702.cif