Crystallography Open Database

Information card for entry 4077160

Preview

Coordinates	4077160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H114 B20 K4 N2 O18
Calculated formula	C60 H108 B20 K4 N2 O18
Title of publication	Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes
Authors of publication	Zi, Guofu; Li, Hung-Wing; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	24
Pages of publication	5415
a	11.6454 ± 0.0007 Å
b	12.2087 ± 0.0007 Å
c	16.1936 ± 0.001 Å
α	97.773 ± 0.001°
β	103.456 ± 0.001°
γ	104.23 ± 0.001°
Cell volume	2124.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1165
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	0.858
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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