Crystallography Open Database

Information card for entry 4307479

Preview

Coordinates	4307479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 I3 N2 P
Calculated formula	C26 H36 I3 N2 P
SMILES	C1=C[N+](c2c(cccc2C(C)C)C(C)C)=PN1c1c(cccc1C(C)C)C(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	9.861 ± 0.005 Å
b	10.501 ± 0.005 Å
c	16.856 ± 0.005 Å
α	89.522 ± 0.005°
β	78.766 ± 0.005°
γ	80.179 ± 0.005°
Cell volume	1686.4 ± 1.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71069 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.	4307479.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307479.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307479.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307479.cif