Crystallography Open Database

Information card for entry 4131800

Preview

Coordinates	4131800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H43 Cl3 O2 P2 Ru
Calculated formula	C55 H43 Cl3 O2 P2 Ru
SMILES	[Ru](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(/C=C/c1cc2ccccc2c2ccccc12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].C(Cl)Cl
Title of publication	Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.
Authors of publication	Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	51
Pages of publication	18484 - 18487
a	10.4363 ± 0.0005 Å
b	14.945 ± 0.0008 Å
c	15.1451 ± 0.0008 Å
α	82.763 ± 0.004°
β	77.136 ± 0.004°
γ	88.273 ± 0.004°
Cell volume	2284.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241948 (current)	2019-11-25	cif/ Adding structures of 4131798, 4131799, 4131800 via cif-deposit CGI script.	4131800.cif