Crystallography Open Database

Information card for entry 7018026

Preview

Coordinates	7018026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N6 O P
Calculated formula	C15 H15 N6 O P
SMILES	c1(ccccn1)NP(=O)(Nc1ccccn1)Nc1ccccn1
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	10.1012 ± 0.0001 Å
b	10.1012 ± 0.0001 Å
c	28.4343 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2512.58 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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.	7018026.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018026.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018026.cif
33498	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018026, 7018027, 7018028 via cif-deposit CGI script.	7018026.cif