Crystallography Open Database

Information card for entry 4068988

Preview

Coordinates	4068988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 Cl2 N2 P2 Si Zr
Calculated formula	C27 H63 Cl2 N2 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	11.0595 ± 0.0012 Å
b	25.137 ± 0.003 Å
c	13.1081 ± 0.0014 Å
α	90°
β	91.415 ± 0.001°
γ	90°
Cell volume	3643 ± 0.7 Å³
Cell temperature	112 ± 2 K
Ambient diffraction temperature	112 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	4068988.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068988.cif
40078	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068988 via cif-deposit CGI script.	4068988.cif