Crystallography Open Database

Information card for entry 7118636

Preview

Coordinates	7118636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95.19 H158.44 Cl11.82 Mo3 O0.39 P4 Pd2 Ru2 S4
Calculated formula	C95.185 H158.323 Cl11.815 Mo3 O0.395 P4 Pd2 Ru2 S4
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	13.8281 ± 0.0009 Å
b	17.5883 ± 0.0011 Å
c	23.8941 ± 0.0016 Å
α	80.217 ± 0.002°
β	75.331 ± 0.002°
γ	84.33 ± 0.003°
Cell volume	5530.7 ± 0.6 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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