Crystallography Open Database

Information card for entry 4081447

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Coordinates	4081447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Ir O15 P Ru4
Calculated formula	C27 H28 Ir O15 P Ru4
Title of publication	Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes
Authors of publication	Adams, Richard D.; Zhang, Qiang
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	18
Pages of publication	5171
a	9.216 ± 0.0005 Å
b	13.678 ± 0.0007 Å
c	15.3477 ± 0.0008 Å
α	71.504 ± 0.001°
β	85.536 ± 0.001°
γ	76.886 ± 0.001°
Cell volume	1786.86 ± 0.16 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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