Crystallography Open Database

Information card for entry 4121398

Preview

Coordinates	4121398.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PH2C(O)NH2*0.5(18-crown-6)
Formula	C7 H16 N O4 P
Calculated formula	C7 H16 N O4 P
Title of publication	Phosphinecarboxamide: A Phosphorus-Containing Analogue of Urea and Stable Primary Phosphine
Authors of publication	Andrew R. Jupp; Jose M. Goicoechea
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	19131 - 19134
a	8.4093 ± 0.0002 Å
b	8.6581 ± 0.0003 Å
c	8.7267 ± 0.0003 Å
α	105.959 ± 0.001°
β	114.847 ± 0.002°
γ	96.574 ± 0.001°
Cell volume	534.73 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0416
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179015 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/13.	4121398.cif
107605	2014-03-20	cif/ Adding structures of 4121398 via cif-deposit CGI script.	4121398.cif