Crystallography Open Database

Information card for entry 7038121

Preview

Coordinates	7038121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl2 N2 P Ti
Calculated formula	C24 H27 Cl2 N2 P Ti
SMILES	[Ti]12(Cl)(Cl)[P](CCCN1c1ccccc1)(CCCN2c1ccccc1)c1ccccc1
Title of publication	Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type "molecular claw".
Authors of publication	Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	8
Pages of publication	3528 - 3540
a	8.314 ± 0.003 Å
b	19.255 ± 0.008 Å
c	15.27 ± 0.007 Å
α	90°
β	104.617 ± 0.008°
γ	90°
Cell volume	2365.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
177848 (current)	2016-03-05	cif/ Updating files of 7038121, 7038122, 7038123, 7038124, 7038125, 7038126, 7038127, 7038128, 7038129 Original log message: Adding full bibliography for 7038121--7038129.cif.	7038121.cif
175055	2016-01-26	cif/ Adding structures of 7038121, 7038122, 7038123, 7038124, 7038125, 7038126, 7038127, 7038128, 7038129 via cif-deposit CGI script.	7038121.cif