Crystallography Open Database

Information card for entry 7126389

Preview

Coordinates	7126389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H104 Al B Dy2 F36 O4
Calculated formula	C101 H104 Al B Dy2 F36 O4
Title of publication	Two heads are better than one: improving magnetic relaxation in the dysprosium metallocene upon dimerization by use of an exceptionally weakly-coordinating anion.
Authors of publication	Errulat, Dylan; Gabidullin, Bulat; Mansikkamäki, Akseli; Murugesu, Muralee
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	44
Pages of publication	5937 - 5940
a	15.5064 ± 0.0011 Å
b	21.8874 ± 0.0016 Å
c	31.229 ± 0.002 Å
α	90°
β	101.817 ± 0.001°
γ	90°
Cell volume	10374.3 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
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	0.0607
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
252678 (current)	2020-06-05	cif/ Updating files of 7126389 Original log message: Adding full bibliography for 7126389.cif.	7126389.cif
250869	2020-04-17	cif/ Adding structures of 7126389 via cif-deposit CGI script.	7126389.cif