Crystallography Open Database

Information card for entry 1545378

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Structure parameters

Chemical name	<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)
Formula	C14 H6 Cl2 N2 O4 Ru
Calculated formula	C14 H6 Cl2 N2 O4 Ru
SMILES	[Ru]1(Cl)(Cl)([n]2cccc3c2c2[n]1cccc2C(=O)C3=O)(C#[O])C#[O]
Title of publication	<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)
Authors of publication	Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	2
Pages of publication	x170288
a	8.8003 ± 0.0006 Å
b	8.8003 ± 0.0006 Å
c	19.772 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1531.2 ± 0.2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
192763 (current)	2017-03-02	cif/ hkl/ Adding structures of 1545378 via cif-deposit CGI script.	1545378.cif 1545378.hkl