Crystallography Open Database

Information card for entry 4068088

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Coordinates	4068088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H35 Ir5 O7
Calculated formula	C31 H35 Ir5.104 O7
Title of publication	Synthesis of Higher Nuclearity Iridium Clusters: Reaction of [Ir4(CO)11Ph]−with [Ir(COD)Cl]2
Authors of publication	Adams, Richard D.; Chen, Mingwei
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	445
a	14.0036 ± 0.0005 Å
b	12.9445 ± 0.0004 Å
c	17.9786 ± 0.0006 Å
α	90°
β	105.476 ± 0.001°
γ	90°
Cell volume	3140.81 ± 0.18 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
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	0.041
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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