Crystallography Open Database

Information card for entry 8102113

Preview

Coordinates	8102113.cif

Structure parameters

Chemical name	bis(η^5^-cyclopentadienyl)-pyrrolide-titanium(III)
Formula	C24 H34 N Ti
Calculated formula	C24 H34 N Ti
Title of publication	Crystal structure of bis(η^5^-cyclopentadienyl)-pyrrolide-titanium (III), Ti(C~10~H~15~)~2~(C~4~H~4~N)
Authors of publication	Spannenberg, Anke; Burlakov, Vladimir V.; Arndt, Perdita; Klahn, Marcus; Rosenthal, Uwe
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	3
Pages of publication	192 - 194
a	10.864 ± 0.002 Å
b	14.281 ± 0.003 Å
c	27.535 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4272 ± 1.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	0.833
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102113.cif
108388	2014-03-31	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102113.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102113.cif
12852	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102113 via cif-deposit CGI script.	8102113.cif