Crystallography Open Database

Information card for entry 7029051

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Coordinates	7029051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63.64 H80.55 B3 K N4 O8.64
Calculated formula	C63.64 H80.56 B3 K N4 O8.64
Title of publication	A spiroborate-based anionic bis-N-heterocyclic carbene.
Authors of publication	Su, Jia-Hong; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	8
Pages of publication	3059 - 3062
a	22.2188 ± 0.0004 Å
b	19.7828 ± 0.0004 Å
c	16.8614 ± 0.0003 Å
α	90°
β	117.333 ± 0.0009°
γ	90°
Cell volume	6584 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2483
Weighted residual factors for all reflections included in the refinement	0.2823
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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