Crystallography Open Database

Information card for entry 4506904

Preview

Coordinates	4506904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H57 N7 O24 Zn3
Calculated formula	C49 H57 N7 O24 Zn3
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	43.8139 ± 0.0008 Å
b	43.8139 ± 0.0008 Å
c	17.2006 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	28595.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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