Crystallography Open Database

Information card for entry 4079537

Preview

Coordinates	4079537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H176 Ga8 N8 O9 Si16
Calculated formula	C84 H176 Ga8 N8 O9 Si16
Title of publication	Gallium‒Gallium Bonds As Effective Templates for the Generation of Macrocycles and Supramolecular Entities
Authors of publication	Uhl, Werner; Stefaniak, Christina; Voß, Matthias; Kösters, Jutta; Rogel, Friedhelm
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	19
Pages of publication	6988
a	19.3512 ± 0.0012 Å
b	22.3179 ± 0.0014 Å
c	25.9585 ± 0.0017 Å
α	105.232 ± 0.001°
β	110.396 ± 0.001°
γ	104.066 ± 0.001°
Cell volume	9419.4 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0737
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	0.9
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
178684 (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 4/07/95.	4079537.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079537.cif
72471	2013-01-21	cif/ Adding structures of 4079537 via cif-deposit CGI script.	4079537.cif