Crystallography Open Database

Information card for entry 4115977

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Coordinates	4115977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 Au2 Fe3 O9 P4 S2
Calculated formula	C45 H30 Au2 Fe3 O9 P4 S2
Title of publication	Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group
Authors of publication	Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	3952 - 3962
a	16.8779 ± 0.0007 Å
b	14.4419 ± 0.0006 Å
c	21.1256 ± 0.0009 Å
α	90°
β	107.633 ± 0.001°
γ	90°
Cell volume	4907.4 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.022
Weighted residual factors for all reflections	0.033
Weighted residual factors for significantly intense reflections	0.032
Goodness-of-fit parameter for significantly intense reflections	1.36
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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