Crystallography Open Database

Information card for entry 7705934

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Coordinates	7705934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H26 B10 Cl Ir S2
Calculated formula	C13 H26 B10 Cl Ir S2
Title of publication	Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.
Authors of publication	Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	3
Pages of publication	1060 - 1068
a	13.3076 ± 0.0004 Å
b	13.6172 ± 0.0004 Å
c	13.4642 ± 0.0004 Å
α	90°
β	114.273 ± 0.001°
γ	90°
Cell volume	2224.19 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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