Crystallography Open Database

Information card for entry 7007671

Preview

Coordinates	7007671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 I2 P
Calculated formula	C21 H21 I2 P
SMILES	c1(c(cccc1)C)[P](c1ccccc1C)(c1c(cccc1)C)[I]I
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	9.1482 ± 0.0002 Å
b	11.1968 ± 0.0002 Å
c	11.4776 ± 0.0002 Å
α	61.414 ± 0.001°
β	89.329 ± 0.001°
γ	88.847 ± 0.001°
Cell volume	1032.13 ± 0.04 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
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
179780 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/76.	7007671.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007671.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007671.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007671.cif