Crystallography Open Database

Information card for entry 4063221

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Coordinates	4063221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H44 F6 Ir O3.5 P5 Pt
Calculated formula	C53 H44 F6 Ir O3.5 P5 Pt
Title of publication	Complexes with Platinum-Iridium Bonds: Stepwise Formation of a PtIr2 Cluster Complex
Authors of publication	Brian T. Sterenberg; Hilary A. Jenkins; Richard J. Puddephatt
Journal of publication	Organometallics
Year of publication	1999
Journal volume	18
Pages of publication	219 - 226
a	20.1924 ± 0.0003 Å
b	44.8906 ± 0.0014 Å
c	23.3886 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	21200.6 ± 1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for all reflections	0.1328
Weighted residual factors for significantly intense reflections	0.0798
Goodness-of-fit parameter for all reflections	1.011
Goodness-of-fit parameter for significantly intense reflections	1.218
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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