Crystallography Open Database

Information card for entry 4079101

Preview

Coordinates	4079101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 Cu4 Li2 O8
Calculated formula	C50 H58 Cu4 Li2 O8
Title of publication	Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates
Authors of publication	Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	22
Pages of publication	7877
a	17.96778 ± 0.00017 Å
b	17.6095 ± 0.00018 Å
c	30.1255 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9531.82 ± 0.18 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
178680 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/91.	4079101.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079101.cif
72321	2013-01-21	cif/ Adding structures of 4079100, 4079101, 4079102, 4079103 via cif-deposit CGI script.	4079101.cif