Crystallography Open Database

Information card for entry 7118638

Preview

Coordinates	7118638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94.65 H154.79 Cl12.35 O0.22 P4 Pd2 Ru2 S4 W3
Calculated formula	C94.648 H154.784 Cl12.352 O0.216 P4 Pd2 Ru2 S4 W3
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	13.8702 ± 0.0004 Å
b	17.6143 ± 0.0005 Å
c	23.8397 ± 0.0008 Å
α	80.295 ± 0.001°
β	75.255 ± 0.001°
γ	83.949 ± 0.001°
Cell volume	5540 ± 0.3 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	0.0533
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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