Crystallography Open Database

Information card for entry 4347905

Preview

Coordinates	4347905.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd-FINA
Chemical name	Cd-FINA
Formula	C12 H4 Cd F2 N2 O4
Calculated formula	C12 H4 Cd F2 N2 O4
Title of publication	Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.
Authors of publication	Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7200 - 7205
a	4.7709 ± 0.0003 Å
b	13.2043 ± 0.0009 Å
c	10.6697 ± 0.0007 Å
α	90°
β	94.244 ± 0.007°
γ	90°
Cell volume	670.31 ± 0.08 Å³
Cell temperature	293 ± 0.1 K
Ambient diffraction temperature	293 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232579 (current)	2019-11-23	cif/ Adding structures of 4347899, 4347900, 4347901, 4347902, 4347903, 4347904, 4347905, 4347906, 4347907 via cif-deposit CGI script.	4347905.cif