Crystallography Open Database

Information card for entry 4509369

Preview

Coordinates	4509369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H19 O10 Zn2
Calculated formula	C35 H19 O10 Zn2
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	16.5748 ± 0.0007 Å
b	16.5748 ± 0.0007 Å
c	28.129 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	6692.4 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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.	4509369.cif
97239	2014-01-29	cif/ Adding structures of 4509369 via cif-deposit CGI script.	4509369.cif