Crystallography Open Database

Information card for entry 1549029

Preview

Coordinates	1549029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H162 Co Cr7 F8 N O33
Calculated formula	C86 H156 Co Cr7 F8 N O33
Title of publication	Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions.
Authors of publication	Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	14
Pages of publication	3555 - 3562
a	19.9066 ± 0.0006 Å
b	19.9066 ± 0.0006 Å
c	16.1991 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6419.3 ± 0.4 Å³
Cell temperature	150.02 ± 0.1 K
Ambient diffraction temperature	150.02 ± 0.1 K
Number of distinct elements	7
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1852
Weighted residual factors for all reflections included in the refinement	0.2016
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228781 (current)	2019-11-17	cif/ Updating files of 1549029 Original log message: Adding full bibliography for 1549029.cif.	1549029.cif
206820	2018-03-08	cif/ Adding structures of 1549029 via cif-deposit CGI script.	1549029.cif