Crystallography Open Database

Information card for entry 7707479

Preview

Coordinates	7707479.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[(mu3-1,4-benzenedicarboxylato-k2O,O':k2O'',O''':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)cadmium(II)] dimethylformamide}
Formula	C23 H19 Cd N7 O5
Calculated formula	C20 H12 Cd N6 O4
Title of publication	Towards correlating dimensionality and topology in luminescent MOFs based on terephthalato and bispyridyl-like ligands.
Authors of publication	Cepeda, Javier; Pérez-Yáñez, Sonia; García, Jose Ángel; Rojas, Sara; Rodríguez-Diéguez, Antonio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	26
Pages of publication	9269 - 9282
a	14.1969 ± 0.0006 Å
b	15.7861 ± 0.0007 Å
c	21.019 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4710.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.2302
Weighted residual factors for all reflections included in the refinement	0.237
Goodness-of-fit parameter for all reflections included in the refinement	1.285
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
268758 (current)	2021-09-06	cif/ Updating files of 7707478, 7707479 Original log message: Adding full bibliography for 7707478--7707479.cif.	7707479.cif
265519	2021-05-27	cif/ Adding structures of 7707478, 7707479 via cif-deposit CGI script.	7707479.cif