Crystallography Open Database

Information card for entry 4081187

Preview

Coordinates	4081187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cl2 N4 O2.5 Ti
Calculated formula	C18 H22 Cl2 N4 O2.5 Ti
Title of publication	New Titanium Catalysts Containing Tetrazole for Cycloaddition of CO2to Epoxides
Authors of publication	Go, Min Jeong; Lee, Kang Mun; Oh, Chang Hwa; Kang, Yi Young; Kim, So Han; Park, Hyoung Ryun; Kim, Youngjo; Lee, Junseong
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4452
a	21.2109 ± 0.0012 Å
b	9.359 ± 0.0005 Å
c	22.8087 ± 0.0018 Å
α	90°
β	114.63 ± 0.003°
γ	90°
Cell volume	4115.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.101
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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