Crystallography Open Database

Information card for entry 7703119

Preview

Coordinates	7703119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H45 Br Cl2 O3.5 Ti
Calculated formula	C33 H41 Br Cl2 O3 Ti
Title of publication	Synthesis and structures of titanium complexes bearing tetradentate tripodal [O<sub>2</sub>XC] ligands (X = C, P).
Authors of publication	Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	1
Pages of publication	27 - 30
a	11.1016 ± 0.0002 Å
b	13.3903 ± 0.0003 Å
c	24.3259 ± 0.0005 Å
α	78.765 ± 0.002°
β	80.424 ± 0.002°
γ	89.325 ± 0.002°
Cell volume	3496.62 ± 0.13 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
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
246384 (current)	2020-01-01	cif/ Adding structures of 7703119, 7703120, 7703121 via cif-deposit CGI script.	7703119.cif