Crystallography Open Database

Information card for entry 4131799

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Coordinates	4131799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H53 Cl7 N2 O P2 Ru S2
Calculated formula	C65.999 H52.998 Cl6.998 N2 O P2 Ru S2
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	12.1009 ± 0.0004 Å
b	14.7925 ± 0.0006 Å
c	17.7731 ± 0.0005 Å
α	76.557 ± 0.003°
β	82.335 ± 0.002°
γ	85.44 ± 0.003°
Cell volume	3062.73 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4131799.cif