Crystallography Open Database

Information card for entry 4071053

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Structure parameters

Formula	C29.5 H18 Cl4 Ti
Calculated formula	C29.5 H18 Cl4 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	10.5761 ± 0.0006 Å
b	18.6258 ± 0.001 Å
c	12.9464 ± 0.001 Å
α	90°
β	110.549 ± 0.008°
γ	90°
Cell volume	2388 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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	0.0908
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	0.794
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4071053.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071053.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071053.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071053.cif
43013	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071053 via cif-deposit CGI script.	4071053.cif