Crystallography Open Database

Information card for entry 4060542

Preview

Coordinates	4060542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H93 Ge K N3 P3 Si6
Calculated formula	C48 H93 Ge K N3 P3 Si6
SMILES	[K+].N(Cc1c(P([Ge-](P(C([Si](C)(C)C)[Si](C)(C)C)c2ccccc2CN(C)C)P(C([Si](C)(C)C)[Si](C)(C)C)c2ccccc2CN(C)C)C([Si](C)(C)C)[Si](C)(C)C)cccc1)(C)C
Title of publication	An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
Authors of publication	Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	9
Pages of publication	2157 - 2167
a	23.4873 ± 0.0005 Å
b	23.4873 ± 0.0005 Å
c	23.4873 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	12956.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Duplicate of	1100901
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210321 (current)	2018-09-01	cif/ Updating bibliography in entries 1100899-1100901, 4060540-4060542. Marking entries 1100899-1100901 as duplicates of entries 4060540-4060542.	4060542.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4060542.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4060542.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4060542.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4060542.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4060542.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4060542.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4060542.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4060542.cif