Crystallography Open Database

Information card for entry 4085033

Preview

Coordinates	4085033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H89 Ge O1.5
Calculated formula	C66 H89 Ge O1.5
Title of publication	Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues
Authors of publication	Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2222
a	12.1296 ± 0.0004 Å
b	12.1655 ± 0.0004 Å
c	21.0705 ± 0.0007 Å
α	96.624 ± 0.001°
β	105.933 ± 0.001°
γ	102.695 ± 0.002°
Cell volume	2865.08 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0607
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4085033.cif
140216	2015-07-05	cif/ Updating files of 4085033, 4085034, 4085035, 4085036, 4085037, 4085038, 4085039, 4085040, 4085041 Original log message: Adding full bibliography for 4085033--4085041.cif.	4085033.cif
128683	2014-12-13	cif/ Adding structures of 4085033, 4085034, 4085035, 4085036, 4085037, 4085038, 4085039, 4085040, 4085041 via cif-deposit CGI script.	4085033.cif