Crystallography Open Database

Information card for entry 7037959

Preview

Coordinates	7037959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H39 Cl N3 P Si3 Zr
Calculated formula	C27 H39 Cl N3 P Si3 Zr
SMILES	[Zr]123(Cl)[P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)C[Si](N3c1ccccc1)(C)C
Title of publication	Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.
Authors of publication	Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	7
Pages of publication	3013 - 3023
a	8.92072 ± 0.00007 Å
b	17.53308 ± 0.00017 Å
c	21.06985 ± 0.00016 Å
α	90°
β	101.866 ± 0.0007°
γ	90°
Cell volume	3225.06 ± 0.05 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	7
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	0.0528
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177783 (current)	2016-03-05	cif/ Updating files of 7037956, 7037957, 7037958, 7037959, 7037960, 7037961, 7037962, 7037963 Original log message: Adding full bibliography for 7037956--7037963.cif.	7037959.cif
174457	2016-01-14	cif/ Adding structures of 7037956, 7037957, 7037958, 7037959, 7037960, 7037961, 7037962, 7037963 via cif-deposit CGI script.	7037959.cif