Crystallography Open Database

Information card for entry 4070501

Preview

Coordinates	4070501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H49 B F15 O2 Ti
Calculated formula	C51 H49 B F15 O2 Ti
Title of publication	Low-Valent Pentafulvene Titanium Dinitrogen Complex as a Precursor for Cationic Titanium Complexes
Authors of publication	Scherer, Axel; Haase, Detlev; Saak, Wolfgang; Beckhaus, Rüdiger; Meetsma, Auke; Bouwkamp, Marco W.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	24
Pages of publication	6969
a	30.0821 ± 0.0017 Å
b	13.4214 ± 0.0004 Å
c	25.5905 ± 0.0014 Å
α	90°
β	115.07 ± 0.006°
γ	90°
Cell volume	9358.6 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178594 (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 4/07/05.	4070501.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070501.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070501.cif
40741	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070497, 4070498, 4070499, 4070500, 4070501 via cif-deposit CGI script.	4070501.cif