Crystallography Open Database

Information card for entry 4082195

Preview

Coordinates	4082195.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cp*Ti{PhC(NiPr)2}(mu-O)]2
Formula	C46 H68 N4 O2 Ti2
Calculated formula	C46 H68 N4 O2 Ti2
Title of publication	Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound
Authors of publication	Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7520
a	32.088 ± 0.006 Å
b	10.816 ± 0.002 Å
c	26.575 ± 0.005 Å
α	90°
β	110.75 ± 0.03°
γ	90°
Cell volume	8625 ± 3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0837
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for all reflections	0.0867
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.0811
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
178710 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/21.	4082195.cif
92229	2014-01-12	cif/ Adding structures of 4082193, 4082194, 4082195, 4082196, 4082197, 4082198, 4082199, 4082200 via cif-deposit CGI script.	4082195.cif