Crystallography Open Database

Information card for entry 4076417

Preview

Coordinates	4076417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 N4 Nb
Calculated formula	C35 H51 N4 Nb
SMILES	[Nb]1(=NC(C)(C)C)([N](=C(N1c1ccc(cc1)C(C)(C)C)NC(C)C)C(C)C)(Cc1ccccc1)Cc1ccccc1
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	12.8813 ± 0.001 Å
b	16.6456 ± 0.0013 Å
c	32.319 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6929.7 ± 0.9 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1506
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
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.	4076417.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076417.cif
51954	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076417, 4076418, 4076419, 4076420 via cif-deposit CGI script.	4076417.cif