Crystallography Open Database

Information card for entry 7026055

Preview

Coordinates	7026055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H114 Li6 O6 P8
Calculated formula	C78 H114 Li6 O6 P8
Title of publication	Solvent-free mesityllithium: solid-state structure and its reactivity towards white phosphorus.
Authors of publication	Hübner, Alexander; Bernert, Thomas; Sänger, Inge; Alig, Edith; Bolte, Michael; Fink, Lothar; Wagner, Matthias; Lerner, Hans-Wolfram
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	32
Pages of publication	7528 - 7533
a	26.261 ± 0.006 Å
b	15.843 ± 0.003 Å
c	21.951 ± 0.005 Å
α	90°
β	99.096 ± 0.018°
γ	90°
Cell volume	9018 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.3505
Residual factor for significantly intense reflections	0.1123
Weighted residual factors for significantly intense reflections	0.2082
Weighted residual factors for all reflections included in the refinement	0.3158
Goodness-of-fit parameter for all reflections included in the refinement	0.807
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179966 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60.	7026055.cif
93393	2014-01-13	cif/ Adding structures of 7026054, 7026055, 7026056 via cif-deposit CGI script.	7026055.cif