Crystallography Open Database

Information card for entry 7045007

Preview

Coordinates	7045007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H57 Er Si6
Calculated formula	C21 H57 Er Si6
SMILES	C([Si](C)(C)C)([Er](C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
Title of publication	Low coordinated mononuclear erbium(iii) single-molecule magnets with C<sub>3v</sub> symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.
Authors of publication	Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	2
Pages of publication	302 - 305
a	16.2788 ± 0.0003 Å
b	16.2788 ± 0.0003 Å
c	8.5882 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1970.96 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
229578 (current)	2019-11-17	cif/ Updating files of 7045005, 7045006, 7045007 Original log message: Adding full bibliography for 7045005--7045007.cif.	7045007.cif
204104	2017-12-09	cif/ Adding structures of 7045005, 7045006, 7045007 via cif-deposit CGI script.	7045007.cif