Crystallography Open Database

Information card for entry 4347914

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Coordinates	4347914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H64 Cl6 N6 Ru
Calculated formula	C46 H64 Cl6 N6 Ru
SMILES	[Ru]12([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)([n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C)(C#N)C#N.ClC(Cl)Cl.ClC(Cl)Cl.CCCCCC
Title of publication	Optical Resolution, Determination of Absolute Configuration, and Photoracemization of cis-RuL2(CN)2 (L = 2,2'-Bipyridine and Its Analogues).
Authors of publication	Aihara, Yusuke; Sato, Kyohei; Shinozaki, Kazuteru
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8387 - 8395
a	15.2569 ± 0.0019 Å
b	18.666 ± 0.003 Å
c	18.731 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5334.3 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232584 (current)	2019-11-23	cif/ Adding structures of 4347914 via cif-deposit CGI script.	4347914.cif