Crystallography Open Database

Information card for entry 4309899

Preview

Coordinates	4309899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H45 N4 P Si
Calculated formula	C21 H45 N4 P Si
SMILES	P(NC1CCCCC1)(NC1CCCCC1)(NC1CCCCC1)=N[Si](C)(C)C
Title of publication	Cubic and Spirocyclic Radicals Containing a Tetraimidophosphate Dianion [P(NR)3(NR')].2-
Authors of publication	Andrea F. Armstrong; Tristram Chivers; Heikki M. Tuononen; Masood Parvez; René T. Boeré
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7981 - 7991
a	10.5001 ± 0.0003 Å
b	22.8914 ± 0.0007 Å
c	20.9785 ± 0.0005 Å
α	90°
β	101.76 ± 0.0013°
γ	90°
Cell volume	4936.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1289
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309899.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309899.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309899.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309899.cif