Crystallography Open Database

Information card for entry 4512274

Preview

Coordinates	4512274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H22 N4 O20 Zn6
Calculated formula	C39.999 H22 N4 O20 Zn6
Title of publication	Assembly of Four Kinds of Cages into Porous Metal‒Organic Framework for Selective Sorption of Light Hydrocarbons
Authors of publication	Wang, Fei; Fu, Hong-Ru; Hou, Duan-Chuan; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6467
a	35.1544 ± 0.0003 Å
b	35.1544 ± 0.0003 Å
c	35.1544 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	43444.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1618
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179669 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/22.	4512274.cif
131349	2015-02-07	cif/ Updating files of 4512274 Original log message: Adding full bibliography for 4512274.cif.	4512274.cif
126661	2014-11-08	cif/ Adding structures of 4512274 via cif-deposit CGI script.	4512274.cif