Crystallography Open Database

Information card for entry 4506225

Preview

Coordinates	4506225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H36 N2 O41 Zn7
Calculated formula	C66 H36 N2 O41 Zn7
Title of publication	Novel Metal‒Organic Framework Based on Cubic and Trisoctahedral Supermolecular Building Blocks: Topological Analysis and Photoluminescent Property
Authors of publication	Zhao, Xiaoliang; Wang, Xiaoyang; Wang, Suna; Dou, Jianmin; Cui, Peipei; Chen, Zhen; Sun, Di; Wang, Xingpo; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	2736
a	38.591 ± 0.0008 Å
b	38.591 ± 0.0008 Å
c	38.591 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	57472 ± 2 Å³
Cell temperature	263 ± 2 K
Ambient diffraction temperature	263 ± 2 K
Number of distinct elements	5
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	0.1048
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.2391
Weighted residual factors for all reflections included in the refinement	0.2614
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179598 (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 4/50/62.	4506225.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506225.cif
62189	2012-07-07	cif/ Adding structures of 4506225 via cif-deposit CGI script.	4506225.cif