Crystallography Open Database

Information card for entry 4120524

4120523 << 4120524 >> 4120525

Preview

Coordinates	4120524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H198 B4 Ga4 Li4 N8
Calculated formula	C134 H198 B4 Ga4 Li4 N8
Title of publication	A dimethylgallium boryl complex and its methyllithium addition compound.
Authors of publication	Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	3
Pages of publication	886 - 889
a	19.5718 ± 0.001 Å
b	18.8267 ± 0.0011 Å
c	20.2279 ± 0.001 Å
α	90°
β	116.763 ± 0.002°
γ	90°
Cell volume	6655 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0741
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
178982 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/05.	4120524.cif
106550	2014-03-15	cif/ Adding structures of 4120524 via cif-deposit CGI script.	4120524.cif