Crystallography Open Database

Information card for entry 7200658

7200657 << 7200658 >> 7200659

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Coordinates	7200658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 N4 O11 Zn3
Calculated formula	C48 H30 N4 O11 Zn3
Title of publication	Highly tunable metal‒organic frameworks with open metal centers
Authors of publication	Choi, Eun-Young; Wray, Curtis A.; Hu, Chunhua; Choe, Wonyoung
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	553
a	16.6814 ± 0.001 Å
b	16.6814 ± 0.001 Å
c	17.4944 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4868.2 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1743
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7200658.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200658.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200658.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200658.cif