Crystallography Open Database

Information card for entry 4070497

Preview

Coordinates	4070497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H83 B O3 Ti
Calculated formula	C64 H83 B O3 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	11.7758 ± 0.0008 Å
b	22.193 ± 0.002 Å
c	21.726 ± 0.002 Å
α	90°
β	99.08 ± 0.001°
γ	90°
Cell volume	5606.7 ± 0.8 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178593 (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 4/07/04.	4070497.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070497.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070497.cif
40741	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070497, 4070498, 4070499, 4070500, 4070501 via cif-deposit CGI script.	4070497.cif