Crystallography Open Database

Information card for entry 1571658

Preview

Coordinates	1571658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H52 B20 N5 Rh S2
Calculated formula	C27 H52 B20 N5 Rh S2
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	12.1157 ± 0.0011 Å
b	13.1515 ± 0.0012 Å
c	15.8884 ± 0.0014 Å
α	102.935 ± 0.004°
β	95.742 ± 0.005°
γ	111.659 ± 0.004°
Cell volume	2246.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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