Crystallography Open Database

Information card for entry 7111721

Preview

Coordinates	7111721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H52 Cl Ga N2 O2
Calculated formula	C35 H52 Cl Ga N2 O2
SMILES	C1(C)(C)C[N]2=Cc3cc(cc(c3O[Ga]32([N](C1)=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)Cl)C(C)(C)C)C(C)(C)C
Title of publication	Gallium-containing conducting metallopolymers which display chemically tunable reactivity for the growth of Ga2S3 semiconducting nanoparticles
Authors of publication	Mejía, Michelle L.; Reeske, Gregor; Holliday, Bradley J.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5355 - 5357
a	12.128 ± 0.002 Å
b	22.649 ± 0.003 Å
c	25.834 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7096 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0864
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7111721.cif
96750	2014-01-29	cif/ Adding structures of 7111720, 7111721 via cif-deposit CGI script.	7111721.cif