Crystallography Open Database

Information card for entry 4103309

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Coordinates	4103309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C131 H180 Li4 N8 O4
Calculated formula	C131 H172 Li4 N8 O4
Title of publication	A Viable Anionic N-Heterocyclic Dicarbene
Authors of publication	Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14370 - 14372
a	13.1141 ± 0.0008 Å
b	23.6161 ± 0.0014 Å
c	20.7503 ± 0.0012 Å
α	90°
β	106.324 ± 0.001°
γ	90°
Cell volume	6167.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1671
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.2249
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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