Crystallography Open Database

Information card for entry 4101929

4101928 << 4101929 >> 4101930

Preview

Coordinates	4101929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H61 N4 Nb O3.5
Calculated formula	C41 H61 N4 Nb O3.5
Title of publication	Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex
Authors of publication	Jared S. Silvia; Christopher C. Cummins
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2169 - 2171
a	19.4174 ± 0.0015 Å
b	12.2901 ± 0.001 Å
c	16.7769 ± 0.0013 Å
α	90°
β	96.863 ± 0.002°
γ	90°
Cell volume	3975 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0696
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178765 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19.	4101929.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101929.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101929.cif
24748	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101929 via cif-deposit CGI script.	4101929.cif