Crystallography Open Database

Information card for entry 7039616

Preview

Coordinates	7039616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Cl F N3 O3 Ti
Calculated formula	C26 H27 Cl F N3 O3 Ti
Title of publication	Sterically (un)encumbered mer-tridentate N-heterocyclic carbene complexes of titanium(iv) for the copolymerization of cyclohexene oxide with CO2.
Authors of publication	Hessevik, Julie; Lalrempuia, Ralte; Nsiri, Hajar; Törnroos, Karl W; Jensen, Vidar R.; Le Roux, Erwan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	37
Pages of publication	14734 - 14744
a	17.7 ± 0.01 Å
b	7.391 ± 0.004 Å
c	19.676 ± 0.012 Å
α	90°
β	111.032 ± 0.008°
γ	90°
Cell volume	2403 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
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	0.0879
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
187146 (current)	2016-10-08	cif/ Updating files of 7039616, 7039617, 7039618 Original log message: Adding full bibliography for 7039616--7039618.cif.	7039616.cif
183869	2016-06-23	cif/ Adding structures of 7039616, 7039617, 7039618 via cif-deposit CGI script.	7039616.cif