Crystallography Open Database

Information card for entry 7007668

Preview

Coordinates	7007668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 Cl2 I2 P2 Se2
Calculated formula	C19 H30 Cl2 I2 P2 Se2
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	12.0129 ± 0.0003 Å
b	20.2339 ± 0.0004 Å
c	11.7239 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2849.7 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0481
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7007668.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007668.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007668.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007668.cif