Crystallography Open Database

Information card for entry 4337962

Preview

Coordinates	4337962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cl3 N3 P2
Calculated formula	C12 H28 Cl3 N3 P2
SMILES	P(Cl)(N(C(C)C)C(C)C)N=P(Cl)(Cl)N(C(C)C)C(C)C
Title of publication	Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.
Authors of publication	Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3880
a	7.5887 ± 0.0007 Å
b	12.6369 ± 0.0012 Å
c	10.2193 ± 0.001 Å
α	90°
β	92.224 ± 0.006°
γ	90°
Cell volume	979.27 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179482 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/79.	4337962.cif
109930	2014-04-17	cif/ Updating files of 4337958, 4337959, 4337960, 4337961, 4337962, 4337963, 4337964, 4337965, 4337966, 4337967 Original log message: Adding full bibliography for 4337958--4337967.cif.	4337962.cif
108508	2014-04-02	cif/ Adding structures of 4337958, 4337959, 4337960, 4337961, 4337962, 4337963, 4337964, 4337965, 4337966, 4337967 via cif-deposit CGI script.	4337962.cif