Crystallography Open Database

Information card for entry 1571659

Preview

Coordinates	1571659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.6 H32.8 B16 Ir0.8 N1.6 S1.6
Calculated formula	C17.6 H32.8 B16 Ir0.8 N1.6 S1.6
Title of publication	Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Authors of publication	Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9274 - 9280
a	19.1073 ± 0.0006 Å
b	13.3046 ± 0.0004 Å
c	13.9712 ± 0.0004 Å
α	90°
β	99.297 ± 0.001°
γ	90°
Cell volume	3505.03 ± 0.18 Å³
Cell temperature	174 ± 2 K
Ambient diffraction temperature	174 ± 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	0.038
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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