Crystallography Open Database

Information card for entry 4026666

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Coordinates	4026666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H134 B2 Li2 N6 O8
Calculated formula	C112 H134 B2 Li2 N6 O8
Title of publication	Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions
Authors of publication	Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	8413 - 8420
a	13.9077 ± 0.0002 Å
b	14.6294 ± 0.0002 Å
c	14.6476 ± 0.0003 Å
α	67.2543 ± 0.0005°
β	74.2008 ± 0.0006°
γ	72.7007 ± 0.0005°
Cell volume	2581.91 ± 0.07 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.1137
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1869
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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