Crystallography Open Database

Information card for entry 7037960

Preview

Coordinates	7037960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 N3 O P Si3 Zr
Calculated formula	C31 H46 N3 O P Si3 Zr
SMILES	[Zr]1234([P](C[Si](N1c1ccccc41)(C)C)(C[Si](N2c1ccccc1)(C)C)C[Si](N3c1ccccc1)(C)C)[O]1CCCC1
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	10.51494 ± 0.0001 Å
b	15.79043 ± 0.00015 Å
c	20.4802 ± 0.0002 Å
α	90°
β	104.151 ± 0.001°
γ	90°
Cell volume	3297.25 ± 0.06 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	0.0374
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	7037960.cif
174457	2016-01-14	cif/ Adding structures of 7037956, 7037957, 7037958, 7037959, 7037960, 7037961, 7037962, 7037963 via cif-deposit CGI script.	7037960.cif