Crystallography Open Database

Information card for entry 7713345

Preview

Coordinates	7713345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 O10 Ru2
Calculated formula	C18 H30 O10 Ru2
SMILES	[Ru]12345([Ru]6([O]1C)([O]2C)([O]=C(O3)CC)(OC(=[O]4)CC)[O]=C(C)C=C(O6)C)[O]=C(C)C=C(O5)C
Title of publication	A Family of Edge-sharing Bi-octahedral Diruthenium(III,III) Compounds Containing Ru-Ru Single Bond
Authors of publication	Guo, Li-Xiang; Gao, Yao; Zhang , Pei; Yang, Jianhui; Liu, Bin
Journal of publication	Dalton Transactions
Year of publication	2023
a	7.8332 ± 0.0008 Å
b	17.5642 ± 0.0017 Å
c	16.97 ± 0.002 Å
α	90°
β	90.706 ± 0.005°
γ	90°
Cell volume	2334.6 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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