Crystallography Open Database

Information card for entry 4060681

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Coordinates	4060681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H102 Ir6 Mo6 O24
Calculated formula	C36 Ir2 Mo2 O8
Title of publication	Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups
Authors of publication	Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey
Journal of publication	Organometallics
Year of publication	2003
Journal volume	22
Pages of publication	284 - 301
a	26.2521 ± 0.0006 Å
b	26.2521 ± 0.0006 Å
c	33.2008 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	19815.6 ± 0.7 Å³
Cell temperature	473.2 K
Ambient diffraction temperature	473.2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.1039
Weighted residual factors for all reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections	3.609
Goodness-of-fit parameter for all reflections included in the refinement	3.609
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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