Crystallography Open Database

Information card for entry 7047307

Preview

Coordinates	7047307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H194 Cl15 Gd16 N27 O64
Calculated formula	C114 H194 Cl15 Gd16 N27 O64
Title of publication	[Ln<sub>16</sub>] complexes (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>): molecular analogues of natural minerals such as hydrotalcite.
Authors of publication	Richardson, Paul; Hsu, Ting-Jung; Kuo, Che-Jung; Holmberg, Rebecca J.; Gabidullin, Bulat; Rouzières, Mathieu; Clérac, Rodolphe; Murugesu, Muralee; Lin, Po-Heng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	37
Pages of publication	12847 - 12851
a	36.144 ± 0.004 Å
b	36.144 ± 0.004 Å
c	28.831 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	32618 ± 6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
229304 (current)	2019-11-17	cif/ Updating files of 7047307, 7047308 Original log message: Adding full bibliography for 7047307--7047308.cif.	7047307.cif
210009	2018-08-21	cif/ Adding structures of 7047307, 7047308 via cif-deposit CGI script.	7047307.cif