Crystallography Open Database

Information card for entry 7041057

Preview

Coordinates	7041057.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Compound 2
Formula	C153 H144 Cu12 N28 O67 Tb4
Calculated formula	C153 H144 Cu12 N28 O67 Tb4
Title of publication	Macrocyclic {3d-4f} SMMs as building blocks for 1D-polymers: selective bridging of 4f ions by use of an O-donor ligand.
Authors of publication	Dhers, Sébastien; Feltham, Humphrey L. C.; Rouzières, Mathieu; Clérac, Rodolphe; Brooker, Sally
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	45
Pages of publication	18089 - 18093
a	13.2854 ± 0.0001 Å
b	22.9612 ± 0.0002 Å
c	13.5352 ± 0.0001 Å
α	90°
β	95.692 ± 0.001°
γ	90°
Cell volume	4108.54 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1885
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190145 (current)	2017-01-09	cif/ Updating files of 7041057, 7041058 Original log message: Adding full bibliography for 7041057--7041058.cif.	7041057.cif
187675	2016-10-29	cif/ Adding structures of 7041057, 7041058 via cif-deposit CGI script.	7041057.cif