Crystallography Open Database

Information card for entry 7708700

Preview

Coordinates	7708700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 N2 O9 Ru2
Calculated formula	C27 H33 N2 O9 Ru2
SMILES	[Ru]123(O[Ru]45(OC(=CC(=[O]5)C)C)(OC(=CC(=[O]4)C)C)n4[n]3cc3c4cccc3)([O]=C(C)C=C(O1)C)[O]=C(C=C(O2)C)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	10.8202 ± 0.0008 Å
b	11.3874 ± 0.0008 Å
c	14.8695 ± 0.001 Å
α	110.833 ± 0.006°
β	96.149 ± 0.006°
γ	111.215 ± 0.007°
Cell volume	1536.7 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.1148
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
287934 (current)	2023-12-01	cif/ Changed data name '_olex2_refinement_descriptio' to '_olex2_refinement_description' in entries 4350657, 7708700.	7708700.cif
270312	2021-11-05	cif/ Adding structures of 7708699, 7708700, 7708701, 7708702, 7708703, 7708704, 7708705, 7708706 via cif-deposit CGI script.	7708700.cif