Crystallography Open Database

Information card for entry 2022394

2022393 << 2022394 >> 2022395

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Structure parameters

Chemical name	μ-Oxido-bis[dichloridotris(tetrahydrofuran-κ<i>O</i>)titanium(III)]
Formula	C24 H48 Cl4 O7 Ti2
Calculated formula	C24 H48 Cl4 O7 Ti2
Title of publication	Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex
Authors of publication	Bloomfield, Hannah R.; Hollett, Joshua W.; Ritch, Jamie S.
Journal of publication	Acta Crystallographica Section C
Year of publication	2021
Journal volume	77
Journal issue	7
a	19.1347 ± 0.0005 Å
b	9.1227 ± 0.0003 Å
c	18.7937 ± 0.0005 Å
α	90°
β	102.092 ± 0.002°
γ	90°
Cell volume	3207.84 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.1102
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
266589 (current)	2021-06-21	cif/ hkl/ Adding structures of 2022394 via cif-deposit CGI script.	2022394.cif 2022394.hkl