Crystallography Open Database

Information card for entry 4074112

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Coordinates	4074112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H30 Au B9 Cl O5 P Re Rh
Calculated formula	C30.5 H30 Au B9 Cl O5 P Re Rh
Title of publication	Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters
Authors of publication	McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4452
a	10.943 ± 0.0012 Å
b	13.5989 ± 0.0014 Å
c	14.2374 ± 0.0018 Å
α	106.139 ± 0.006°
β	109.551 ± 0.006°
γ	103.083 ± 0.006°
Cell volume	1794.5 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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