Crystallography Open Database

Information card for entry 7113836

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Coordinates	7113836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H74 Cl2 N2 O5.5 Ti
Calculated formula	C47 H70 Cl2 N2 O5.5 Ti
Title of publication	Titanium N-heterocyclic carbene complexes incorporating an imidazolium-linked bis(phenol)Electronic supplementary information (ESI) available: full experimental, NMR and analytical data. See http://www.rsc.org/suppdata/cc/b3/b305745c/
Authors of publication	Aihara, Hidenori; Matsuo, Tsukasa; Kawaguchi, Hiroyuki
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	17
Pages of publication	2204
a	16.5 ± 0.01 Å
b	16.089 ± 0.009 Å
c	18.5 ± 0.01 Å
α	90°
β	100.243 ± 0.009°
γ	90°
Cell volume	4833 ± 5 Å³
Cell temperature	173.2 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 significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.285
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113836.cif
115303	2014-06-02	cif/ Adding structures of 7113836, 7113837 via cif-deposit CGI script.	7113836.cif