Crystallography Open Database

Information card for entry 7059148

Preview

Coordinates	7059148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 B1.83 Co2 S6.17
Calculated formula	C20 H31 B1.83 Co2 S6.172
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	9.1581 ± 0.0004 Å
b	18.9842 ± 0.0009 Å
c	14.3431 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2493.68 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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