Crystallography Open Database

Information card for entry 4077587

Preview

Coordinates	4077587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H65 B10 K O8
Calculated formula	C36 H49 B10 K O8
Title of publication	Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System
Authors of publication	Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	25
Pages of publication	5447
a	23.7934 ± 0.0015 Å
b	10.368 ± 0.0006 Å
c	18.3065 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4516 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.1759
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	0.856
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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