Crystallography Open Database

Information card for entry 4068990

Preview

Coordinates	4068990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H60 N2 P2 Si Zr
Calculated formula	C25 H60 N2 P2 Si Zr
SMILES	[Zr]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)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	8.0482 ± 0.0017 Å
b	9.626 ± 0.002 Å
c	23.012 ± 0.005 Å
α	94.477 ± 0.003°
β	96.876 ± 0.003°
γ	111.824 ± 0.003°
Cell volume	1628.5 ± 0.6 Å³
Cell temperature	155 ± 2 K
Ambient diffraction temperature	155 ± 2 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	0.0435
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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.	4068990.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068990.cif
40080	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068990 via cif-deposit CGI script.	4068990.cif