Crystallography Open Database

Information card for entry 4077400

Preview

Coordinates	4077400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H60 B10 Li4 O6
Calculated formula	C30 H60 B10 Li4 O6
Title of publication	A Novel Carbons-Adjacentarachno-C2B10Carborane Tetraanion Bearing both Hexagonal and Pentagonal Bonding Faces
Authors of publication	Zi, Guofu; Li, Hung-Wing; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	18
Pages of publication	3836
a	11.429 ± 0.003 Å
b	12.784 ± 0.003 Å
c	14.486 ± 0.004 Å
α	69.766 ± 0.005°
β	79.778 ± 0.006°
γ	86.327 ± 0.007°
Cell volume	1954.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1515
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2518
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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