Crystallography Open Database

Information card for entry 4509370

Preview

Coordinates	4509370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H49 O24 Zn5
Calculated formula	C89 H49 O24 Zn5
Title of publication	Two Metal-Carboxylate Frameworks Featuring Uncommon 2D + 3D and 3-Fold-Interpenetration: (3,5)-Connected Isomeric hms and gra Nets
Authors of publication	Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	5
Pages of publication	2415
a	16.783 ± 0.006 Å
b	28.062 ± 0.011 Å
c	13.894 ± 0.005 Å
α	90°
β	96.42 ± 0.007°
γ	90°
Cell volume	6503 ± 4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
179629 (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 4/50/93.	4509370.cif
97240	2014-01-29	cif/ Adding structures of 4509370 via cif-deposit CGI script.	4509370.cif