Crystallography Open Database

Information card for entry 7716926

Preview

Coordinates	7716926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Cl2 O1.75 Sm0.5 Ti0.5
Calculated formula	C12 H19 Cl2 O1.75 Sm0.5 Ti0.5
Title of publication	Choosing between Ti(II) and Ti(III): selective reduction of titanocene dichloride by elemental lanthanides.
Authors of publication	Bousrez, Guillaume; Harakat, Dominique; Chevreux, Sylviane; Déchamps-Olivier, Isabelle; Jaroschik, Florian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	37
Pages of publication	15595 - 15601
a	22.5099 ± 0.0015 Å
b	44.91 ± 0.003 Å
c	11.2932 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	11416.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
295243 (current)	2024-10-06	cif/ Updating files of 7716926 Original log message: Adding full bibliography for 7716926.cif.	7716926.cif
294260	2024-08-29	cif/ Adding structures of 7716926 via cif-deposit CGI script.	7716926.cif