Crystallography Open Database

Information card for entry 4068949

Preview

Coordinates	4068949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H31 Cl Ge N P Si2
Calculated formula	C16 H31 Cl Ge N P Si2
SMILES	[Ge]1(Cl)P(C([Si](C)(C)C)[Si](C)(C)C)c2ccccc2C[N]1(C)C
Title of publication	Dynamic Behavior of Intramolecularly Base-Stabilized Phosphatetrylenes. Insights into the Inversion Processes of Trigonal Pyramidal Geramanium(II) and Tin(II) Centers
Authors of publication	Izod, Keith; Stewart, John; Clark, Ewan R.; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	12
Pages of publication	3327
a	19.1002 ± 0.0006 Å
b	10.1387 ± 0.0003 Å
c	11.5197 ± 0.0004 Å
α	90°
β	106.099 ± 0.004°
γ	90°
Cell volume	2143.32 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178579 (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 4/06/89.	4068949.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068949.cif
40055	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068949, 4068950 via cif-deposit CGI script.	4068949.cif