Crystallography Open Database

Information card for entry 7708699

Preview

Coordinates	7708699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 N2 O9 Ru2
Calculated formula	C23 H31 N2 O9 Ru2
SMILES	[Ru]123(OC(=CC(=[O]1)C)C)([O]=C(C=C(O2)C)C)O[Ru]12(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]1)C)C)n1[n]3ccc1
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	30.4609 ± 0.0005 Å
b	8.1403 ± 0.0001 Å
c	23.6002 ± 0.0004 Å
α	90°
β	109.249 ± 0.002°
γ	90°
Cell volume	5524.77 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	7708699.cif