Crystallography Open Database

Information card for entry 4107914

Preview

Coordinates	4107914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Cd4 O34
Calculated formula	C16 H36 Cd4 O34
SMILES	C12=C(C(=O)C2=O)O[Cd]([OH2])([OH2])(OC2=C(C(=O)C2=O)O[Cd](OC2=C(C(=O)C2=O)O[Cd](OC2=C(C(=O)C2=O)O[Cd](O1)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2])([OH2])[OH2].O.O
Title of publication	Temperature Controlled Reversible Change of the Coordination Modes of the Highly Symmetrical Multitopic Ligand To Construct Coordination Assemblies: Experimental and Theoretical Studies
Authors of publication	Bo Zheng; Hao Dong; Junfeng Bai; Yizhi Li; Shuhua Li; Manfred Scheer
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7778 - 7779
a	6.9429 ± 0.0009 Å
b	16.203 ± 0.002 Å
c	16.022 ± 0.002 Å
α	90°
β	99.525 ± 0.002°
γ	90°
Cell volume	1777.6 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178825 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/79.	4107914.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107914.cif
56240	2012-05-09	cif/ Adding structures of 4107914 via cif-deposit CGI script.	4107914.cif