Crystallography Open Database

Information card for entry 4510491

Preview

Coordinates	4510491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H92 Cu4 N16 O34 Tb2
Calculated formula	C80 H84 Cu4 N16 O34 Tb2
Title of publication	Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain
Authors of publication	Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2588
a	10.601 ± 0.005 Å
b	14.724 ± 0.005 Å
c	16.269 ± 0.005 Å
α	77.979 ± 0.005°
β	85.861 ± 0.005°
γ	82.682 ± 0.005°
Cell volume	2460.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179651 (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 4/51/04.	4510491.cif
115635	2014-06-05	cif/ Updating files of 4510490, 4510491, 4510492 Original log message: Adding full bibliography for 4510490--4510492.cif.	4510491.cif
111590	2014-04-25	cif/ Adding structures of 4510490, 4510491, 4510492 via cif-deposit CGI script.	4510491.cif