Crystallography Open Database

Information card for entry 4066540

Preview

Coordinates	4066540.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ti(N2NOMe)(OiPr)2
Formula	C15 H35 N3 O7 S2 Ti
Calculated formula	C15 H35 N3 O7 S2 Ti
Title of publication	Ligand Variations in New Sulfonamide-Supported Group 4 Ring-Opening Polymerization Catalysts
Authors of publication	Schwarz, Andrew D.; Herbert, Katherine R.; Paniagua, Cristina; Mountford, Philip
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	18
Pages of publication	4171
a	14.7911 ± 0.0004 Å
b	9.5434 ± 0.0003 Å
c	17.0501 ± 0.0006 Å
α	90°
β	110.508 ± 0.0012°
γ	90°
Cell volume	2254.21 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1152
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for all reflections	0.1081
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.9025
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4066540.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066540.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066540.cif
33920	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066537, 4066538, 4066539, 4066540, 4066541, 4066542, 4066543, 4066544, 4066545 via cif-deposit CGI script.	4066540.cif