Crystallography Open Database

Information card for entry 4347907

Preview

Coordinates	4347907.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd-FPAA-1
Chemical name	Cd-FPAA-1
Formula	C54 H42 Cd3 F6 N8 O14
Calculated formula	C54 H42 Cd3 F6 N8 O14
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	10.6945 ± 0.0012 Å
b	18.576 ± 0.002 Å
c	14.9208 ± 0.0017 Å
α	90°
β	107.758 ± 0.002°
γ	90°
Cell volume	2822.9 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0701
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
232579 (current)	2019-11-23	cif/ Adding structures of 4347899, 4347900, 4347901, 4347902, 4347903, 4347904, 4347905, 4347906, 4347907 via cif-deposit CGI script.	4347907.cif