Crystallography Open Database

Information card for entry 2006893

2006892 << 2006893 >> 2006894

Preview

Coordinates	2006893.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-acetatobis(dicarbonyl(pyrazole)ruthenium(I))
Formula	C14 H14 N4 O8 Ru2
Calculated formula	C14 H14 N4 O8 Ru2
SMILES	[Ru]12([Ru](OC(=[O]1)C)(OC(=[O]2)C)([n]1[nH]ccc1)(C#[O])C#[O])([n]1[nH]ccc1)(C#[O])C#[O]
Title of publication	Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]
Authors of publication	Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	12
Pages of publication	1782 - 1784
a	8.332 ± 0.001 Å
b	9.524 ± 0.001 Å
c	13.539 ± 0.002 Å
α	90.02 ± 0.01°
β	100.32 ± 0.02°
γ	111.33 ± 0.01°
Cell volume	982.1 ± 0.2 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	0.03
Residual factor for significantly intense reflections	0.024
Weighted residual factors for all reflections	0.06
Weighted residual factors for significantly intense reflections	0.059
Goodness-of-fit parameter for all reflections	1.035
Goodness-of-fit parameter for significantly intense reflections	1.094
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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