Crystallography Open Database

Information card for entry 4068991

Preview

Coordinates	4068991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H57 N2 P2 Si Ti
Calculated formula	C24 H57 N2 P2 Si Ti
SMILES	[Ti]12(N(C(C)(C)C)[Si]([N]2(CC[P]1(C(C)C)C(C)C)CCP(C(C)C)C(C)C)(C)C)(C)C
Title of publication	Synthesis and Reactivity of Titanium and Zirconium Complexes Supported by a Multidentate Monoanionic [N2P2] Ligand
Authors of publication	Chomitz, Wayne A.; Sutton, Andrew D.; Krinsky, Jamin L.; Arnold, John
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	12
Pages of publication	3338
a	32.287 ± 0.004 Å
b	8.8785 ± 0.0011 Å
c	21.7 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6220.5 ± 1.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068991.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068991.cif
40081	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068991 via cif-deposit CGI script.	4068991.cif