Crystallography Open Database

Information card for entry 4075443

Preview

Coordinates	4075443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 I N Nb P Si2
Calculated formula	C36 H50 I N Nb P Si2
Title of publication	Synthesis, Characterization, and Reactivity of Isocyanidephosphidoniobocene Derivatives: X-ray Diffraction Structures of New Isocyanideniobocene Complexes, [Nb(η5-C5H4SiMe3)2(CNR)(PMePh2)]I, R = Xylyl, Cy
Authors of publication	Antiñolo, Antonio; Evrard, David; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	15
Pages of publication	3670
a	11.143 ± 0.005 Å
b	14.322 ± 0.001 Å
c	24.444 ± 0.003 Å
α	90°
β	97.4 ± 0.01°
γ	90°
Cell volume	3868.5 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0802
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178643 (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 4/07/54.	4075443.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075443.cif
49247	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075443, 4075444 via cif-deposit CGI script.	4075443.cif