Crystallography Open Database

Information card for entry 4079323

Preview

Coordinates	4079323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H72 Au4 Ir4 O9 P4
Calculated formula	C89 H72 Au4 Ir4 O9 P4
Title of publication	Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands
Authors of publication	Adams, Richard D.; Chen, Mingwei
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6457
a	23.4673 ± 0.0012 Å
b	15.1658 ± 0.0008 Å
c	26.0618 ± 0.0013 Å
α	90°
β	112.857 ± 0.001°
γ	90°
Cell volume	8547.1 ± 0.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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