Crystallography Open Database

Information card for entry 4113114

Preview

Coordinates	4113114.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(t-BuC(P)O)Nb(N[Np]Ar)3
Formula	C44 H63 N3 Nb O P
Calculated formula	C44 H63 N3 Nb O P
Title of publication	Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation
Authors of publication	Joshua S. Figueroa; Christopher C. Cummins
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13916 - 13917
a	11.923 ± 0.0007 Å
b	13.1067 ± 0.0008 Å
c	16.6412 ± 0.001 Å
α	74.251 ± 0.001°
β	72.965 ± 0.001°
γ	67.582 ± 0.001°
Cell volume	2260.7 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178902 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/31.	4113114.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113114.cif
65535	2012-09-05	cif/ Adding structures of 4113114 via cif-deposit CGI script.	4113114.cif