Crystallography Open Database

Information card for entry 7018027

Preview

Coordinates	7018027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N8 P
Calculated formula	C20 H19 N8 P
SMILES	P(Nc1ncccc1)(Nc1ncccc1)(Nc1ncccc1)=Nc1ncccc1
Title of publication	A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)(3)] and an imido phosphinate ion [P(Npy)(2)(NHpy)(2)](-) in its Ag(i) complex.
Authors of publication	Gupta, Arvind K.; Chipem, Francis A. S.; Boomishankar, Ramamoorthy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	6
Pages of publication	1848 - 1853
a	9.596 ± 0.0016 Å
b	19.395 ± 0.003 Å
c	11.0279 ± 0.0017 Å
α	90°
β	105.198 ± 0.004°
γ	90°
Cell volume	1980.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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
179884 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/80.	7018027.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018027.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018027.cif
33498	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018026, 7018027, 7018028 via cif-deposit CGI script.	7018027.cif