Crystallography Open Database

Information card for entry 4307481

Preview

Coordinates	4307481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 I3 N2 P
Calculated formula	C20 H24 I3 N2 P
SMILES	c1c[n+](pn1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[I-](I)I
Title of publication	One-Step Redox Route to N-Heterocyclic Phosphenium Ions
Authors of publication	Gregor Reeske; Alan H. Cowley
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1426 - 1430
a	21.647 ± 0.004 Å
b	7.5469 ± 0.0015 Å
c	16.488 ± 0.003 Å
α	90°
β	112.69 ± 0.03°
γ	90°
Cell volume	2485.1 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4307481.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307481.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307481.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307481.cif