Crystallography Open Database

Information card for entry 7109514

Preview

Coordinates	7109514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N8 O12 Zn
Calculated formula	C32 H30 N8 O12 Zn
Title of publication	Anion-directed assembly of a non-interpenetrated square-grid metal-organic framework with nanoscale porosity
Authors of publication	Atanu Mitra; Christian T. Hubley; Dillip K. Panda; Ronald J. Clark; Sourav Saha
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	6629
a	12.4649 ± 0.0007 Å
b	17.5979 ± 0.001 Å
c	15.8811 ± 0.0009 Å
α	90°
β	106.543 ± 0.001°
γ	90°
Cell volume	3339.4 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
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	0.0506
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7109514.html