Crystallography Open Database

Information card for entry 7707478

Preview

Coordinates	7707478.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[(mu4-1,4-benzenedicarboxylato-kO:kO':kO'':kO''')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)bis(dimethylformamide)bis(nitrato-k2O,O')dizinc(II)]
Formula	C13 H13 N5 O6 Zn
Calculated formula	C13 H13 N5 O6 Zn
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	15.027 ± 0.0005 Å
b	10.4796 ± 0.0003 Å
c	9.4372 ± 0.0003 Å
α	90°
β	91.705 ± 0.003°
γ	90°
Cell volume	1485.48 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.474
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7707478.cif
265519	2021-05-27	cif/ Adding structures of 7707478, 7707479 via cif-deposit CGI script.	7707478.cif