Crystallography Open Database

Information card for entry 4071058

Preview

Coordinates	4071058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H34 Cl2 O Ti
Calculated formula	C50.5 H34 Cl2 O Ti
Title of publication	Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application
Authors of publication	Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1859
a	9.5715 ± 0.0008 Å
b	12.8182 ± 0.001 Å
c	16.3538 ± 0.0014 Å
α	92.982 ± 0.01°
β	95.251 ± 0.01°
γ	109.988 ± 0.01°
Cell volume	1870.2 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0534
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071058.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071058.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071058.cif
43018	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071058 via cif-deposit CGI script.	4071058.cif