Crystallography Open Database

Information card for entry 7047936

Preview

Coordinates	7047936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H78 Cd3 N12 O18
Calculated formula	C81 H78 Cd3 N12 O18
Title of publication	Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO<sub>2</sub> cycloaddition with epoxides.
Authors of publication	Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	45
Pages of publication	16197 - 16204
a	18.113 ± 0.0005 Å
b	18.113 ± 0.0005 Å
c	39.272 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	11158.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229956 (current)	2019-11-17	cif/ Updating files of 7047934, 7047935, 7047936 Original log message: Adding full bibliography for 7047934--7047936.cif.	7047936.cif
211756	2018-11-02	cif/ Adding structures of 7047934, 7047935, 7047936 via cif-deposit CGI script.	7047936.cif