Crystallography Open Database

Information card for entry 4332295

Preview

Coordinates	4332295.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(diphenylphosphino)ethane tetraiodine adduct
Formula	C26 H24 I4 P2
Calculated formula	C26 H24 I4 P2
SMILES	C([P](c1ccccc1)([I]I)c1ccccc1)C[P]([I]I)(c1ccccc1)c1ccccc1
Title of publication	Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds
Authors of publication	Ellis, Bobby D.; Macdonald, Charles L. B.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	17
Pages of publication	6864 - 6874
a	15.2158 ± 0.0008 Å
b	15.2876 ± 0.0008 Å
c	12.3342 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2869.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0414
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
264242 (current)	2021-04-16	cif/4 Fixing some Z values and formulae	4332295.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4332295.cif
98212	2014-01-29	cif/ Adding structures of 4332288, 4332289, 4332290, 4332291, 4332292, 4332293, 4332294, 4332295, 4332296 via cif-deposit CGI script.	4332295.cif