Crystallography Open Database

Information card for entry 7007674

Preview

Coordinates	7007674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.75 H19.5 Cl1.5 I P Se
Calculated formula	C19.75 H19.5 Cl1.5 I P Se
Title of publication	The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.
Authors of publication	Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	40
Pages of publication	4795 - 4804
a	21.908 ± 0.003 Å
b	10.4978 ± 0.001 Å
c	20.798 ± 0.002 Å
α	90°
β	116.58 ± 0.02°
γ	90°
Cell volume	4277.7 ± 1.1 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
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	0.0876
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1539
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7007674.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007674.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007674.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007674.cif