Crystallography Open Database

Information card for entry 7224680

Preview

Coordinates	7224680.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd-muc-bpee
Chemical name	Cd-MOF 2
Formula	C24 H19 Cd N3 O4
Calculated formula	C24 H19 Cd N3 O4
Title of publication	Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction
Authors of publication	Ugale, Bharat; Nagaraja, C. M.
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	34
Pages of publication	28854
a	14.094 ± 0.005 Å
b	17.248 ± 0.005 Å
c	22.357 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	5435 ± 3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
178869 (current)	2016-03-22	cif/ Adding structures of 7224678, 7224679, 7224680 via cif-deposit CGI script.	7224680.cif