Crystallography Open Database

Information card for entry 7038122

Preview

Coordinates	7038122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Cl4 N2 P Zr
Calculated formula	C25 H29 Cl4 N2 P Zr
SMILES	[Zr]12(Cl)(Cl)[P](CCCN1c1ccccc1)(CCCN2c1ccccc1)c1ccccc1.ClCCl
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	8.582 ± 0.003 Å
b	11.757 ± 0.005 Å
c	14.513 ± 0.005 Å
α	66.612 ± 0.007°
β	84.723 ± 0.008°
γ	75.566 ± 0.012°
Cell volume	1301.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 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	0.0263
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7038122.cif
175055	2016-01-26	cif/ Adding structures of 7038121, 7038122, 7038123, 7038124, 7038125, 7038126, 7038127, 7038128, 7038129 via cif-deposit CGI script.	7038122.cif