Crystallography Open Database

Information card for entry 4338986

Preview

Coordinates	4338986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H15 N3 O P2
Calculated formula	C6 H15 N3 O P2
SMILES	CN1CP2(=O)CN(P1N(C)C2)C
Title of publication	Comparisons of phosphorus ligation properties in P(CH2NR)3P.
Authors of publication	Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9351 - 9363
a	7.2702 ± 0.0011 Å
b	7.2702 ± 0.0011 Å
c	10.952 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	501.32 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
179492 (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 4/33/89.	4338986.cif
117044	2014-06-14	cif/ Adding structures of 4338986 via cif-deposit CGI script.	4338986.cif