Crystallography Open Database

Information card for entry 4064679

Preview

Coordinates	4064679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 Ge P2
Calculated formula	C56 H40 Ge P2
Title of publication	Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission
Authors of publication	Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3559
a	11.4828 ± 0.0014 Å
b	12.9012 ± 0.0013 Å
c	18.022 ± 0.002 Å
α	71.258 ± 0.003°
β	77.857 ± 0.004°
γ	64.911 ± 0.004°
Cell volume	2281.1 ± 0.4 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
178540 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/46.	4064679.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064679.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064679.cif
32998	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064679 via cif-deposit CGI script.	4064679.cif