Crystallography Open Database

Information card for entry 4069561

Preview

Coordinates	4069561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 N3 Ti
Calculated formula	C22 H34 N3 Ti
Title of publication	Dinitrogen Complexes of Bis(cyclopentadienyl) Titanium Derivatives: Structural Diversity Arising from Substituent Manipulation
Authors of publication	Hanna, Tamara E.; Lobkovsky, Emil; Chirik, Paul J.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	14
Pages of publication	4079
a	22.0056 ± 0.0011 Å
b	10.0175 ± 0.0006 Å
c	18.8744 ± 0.0009 Å
α	90°
β	91.705 ± 0.002°
γ	90°
Cell volume	4158.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0674
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
178584 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069561.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069561.cif
40337	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069561 via cif-deposit CGI script.	4069561.cif