Crystallography Open Database

Information card for entry 7059146

Preview

Coordinates	7059146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 B2 Ir2 Se6
Calculated formula	C20 H30 B2 Ir2 Se6
Title of publication	A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues
Authors of publication	Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	3
Pages of publication	674 - 683
a	11.9187 ± 0.0007 Å
b	16.6296 ± 0.0011 Å
c	14.5809 ± 0.001 Å
α	90°
β	100.146 ± 0.002°
γ	90°
Cell volume	2844.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1722
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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