Crystallography Open Database

Information card for entry 7224380

Preview

Coordinates	7224380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 N8 O6 Ti2
Calculated formula	C44 H60 N8 O6 Ti2
SMILES	C(#N)C1=C(C#N)[N]2=Cc3cc(cc(c3O[Ti]32(N1)(OC(C)C)[O](C(C)C)[Ti]12(NC(=C(C#N)[N]1=Cc1cc(cc(c1O2)C(C)(C)C)C)C#N)(OC(C)C)[O]3C(C)C)C(C)(C)C)C
Title of publication	Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies
Authors of publication	Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	26
Pages of publication	21706
a	11.1634 ± 0.0004 Å
b	24.517 ± 0.0009 Å
c	17.6569 ± 0.0006 Å
α	90°
β	94.801 ± 0.001°
γ	90°
Cell volume	4815.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176860 (current)	2016-02-24	cif/ Adding structures of 7224380, 7224381, 7224382 via cif-deposit CGI script.	7224380.cif