Crystallography Open Database

Information card for entry 1521281

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Coordinates	1521281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H144 Cl11 Ir O2 P4 Ru2
Calculated formula	C81 H144 Cl11 Ir O2 P4 Ru2
Title of publication	Carbide complexes as π-acceptor ligands
Authors of publication	Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5815
a	13.811 ± 0.0018 Å
b	40.893 ± 0.006 Å
c	16.343 ± 0.002 Å
α	90°
β	97.877 ± 0.005°
γ	90°
Cell volume	9143 ± 2 Å³
Cell temperature	122.4 K
Ambient diffraction temperature	122.4 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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