Crystallography Open Database

Information card for entry 4064671

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Structure parameters

Formula	C46 H28 F6 Ge
Calculated formula	C46 H28 F6 Ge
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	28.301 ± 0.008 Å
b	11.096 ± 0.002 Å
c	24.71 ± 0.005 Å
α	90°
β	94.02 ± 0.03°
γ	90°
Cell volume	7741 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1459
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4064671.cif
178540	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.	4064671.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064671.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064671.cif
32990	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064671 via cif-deposit CGI script.	4064671.cif