Crystallography Open Database

Information card for entry 7118640

Preview

Coordinates	7118640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H86.5 B Cl5 Cu F4 O0.75 P2 Ru S3
Calculated formula	C47 H86.5 B Cl5 Cu F4 O0.75 P2 Ru S3
Title of publication	Delivering carbide ligands to sulfide-rich clusters.
Authors of publication	Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	10
Pages of publication	2015 - 2018
a	9.636 ± 0.003 Å
b	17.256 ± 0.005 Å
c	18.491 ± 0.007 Å
α	91.1 ± 0.014°
β	97.986 ± 0.016°
γ	99.976 ± 0.012°
Cell volume	2995.9 ± 1.7 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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