Crystallography Open Database

Information card for entry 4075630

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Coordinates	4075630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H63 B9 Cl2 Ir N2 O5 P2 Re
Calculated formula	C63.65 H55 B9 Cl2 Ir N2 O5 P2 Re
Title of publication	Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§
Authors of publication	McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4444
a	11.2164 ± 0.0003 Å
b	15.8298 ± 0.0005 Å
c	18.7704 ± 0.0006 Å
α	80.508 ± 0.002°
β	75.686 ± 0.002°
γ	79.363 ± 0.002°
Cell volume	3148.8 ± 0.17 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	0.0831
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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