Crystallography Open Database

Information card for entry 4070500

Preview

Coordinates	4070500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H88 B O2 Ti
Calculated formula	C66 H88 B 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	13.0986 ± 0.0006 Å
b	14.7326 ± 0.0006 Å
c	15.9679 ± 0.0007 Å
α	78.727 ± 0.001°
β	69.475 ± 0.001°
γ	69.452 ± 0.001°
Cell volume	2693 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0816
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
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.	4070500.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070500.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070500.cif
40741	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070497, 4070498, 4070499, 4070500, 4070501 via cif-deposit CGI script.	4070500.cif