Crystallography Open Database

Information card for entry 4509486

Preview

Coordinates	4509486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H92.5 O53.25 Zn7
Calculated formula	C72 H54 O53.25 Zn7
Title of publication	A Porous Polyhedral Metal-Organic Framework Based on Zn2(COO)3and Zn2(COO)4SBUs
Authors of publication	Wu, Mingyan; Jiang, Feilong; Wei, Wei; Gao, Qiang; Huang, Yougui; Chen, Lian; Hong, Maochun
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	6
Pages of publication	2559
a	43.622 ± 0.004 Å
b	43.622 ± 0.004 Å
c	43.622 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	83007 ± 13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1793
Residual factor for significantly intense reflections	0.171
Weighted residual factors for significantly intense reflections	0.4528
Weighted residual factors for all reflections included in the refinement	0.4604
Goodness-of-fit parameter for all reflections included in the refinement	1.862
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509486.cif
97316	2014-01-29	cif/ Adding structures of 4509486 via cif-deposit CGI script.	4509486.cif