Crystallography Open Database

Information card for entry 4076418

Preview

Coordinates	4076418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H45 N4 Nb O
Calculated formula	C32 H45 N4 Nb O
Title of publication	New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions
Authors of publication	Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	1840
a	8.4533 ± 0.0005 Å
b	12.2229 ± 0.0006 Å
c	16.9605 ± 0.0012 Å
α	104.483 ± 0.005°
β	97.859 ± 0.005°
γ	108.605 ± 0.003°
Cell volume	1562.66 ± 0.18 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 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	0.1958
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	0.883
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
178653 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/64.	4076418.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076418.cif
51954	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076417, 4076418, 4076419, 4076420 via cif-deposit CGI script.	4076418.cif