Crystallography Open Database

Information card for entry 7010598

Preview

Coordinates	7010598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H29 I N3 P Se
Calculated formula	C12 H29 I N3 P Se
Title of publication	Structural isomerism in R3PSe(Ph)I compounds: the ionic structure of [(Me2N)3PSePh]I
Authors of publication	Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Richards, Claire L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	5
Pages of publication	508
a	10.164 Å
b	12.526 Å
c	26.427 Å
α	90°
β	90°
γ	90°
Cell volume	3364.53 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179809 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/05.	7010598.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010598.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010598.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010598.cif