Crystallography Open Database

Information card for entry 4506901

Preview

Coordinates	4506901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 N2 O14 Zn
Calculated formula	C12 H4 O8 Zn
Title of publication	New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols
Authors of publication	Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5471
a	20.413 ± 0.005 Å
b	20.413 ± 0.005 Å
c	20.413 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8506 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179605 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69.	4506901.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506901.cif
71875	2013-01-21	cif/ Adding structures of 4506901, 4506902, 4506903, 4506904, 4506905, 4506906 via cif-deposit CGI script.	4506901.cif