Crystallography Open Database

Information card for entry 4068989

Preview

Coordinates	4068989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H89 N3 P2 Si Zr
Calculated formula	C52 H89 N3 P2 Si Zr
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	18.455 Å
b	18.696 Å
c	16.811 Å
α	90°
β	115.02°
γ	90°
Cell volume	5256.07 Å³
Cell temperature	151 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0878
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4068989.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068989.cif
40079	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068989 via cif-deposit CGI script.	4068989.cif