Crystallography Open Database

Information card for entry 7122130

Preview

Coordinates	7122130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H170 O24 Si6 Sm4
Calculated formula	C79 H170 O24 Si6 Sm4
Title of publication	A tetranuclear samarium(ii) inverse sandwich from direct reduction of toluene by a samarium(ii) siloxide.
Authors of publication	Kelly, Rory P.; Toniolo, Davide; Tirani, Farzaneh Fadaei; Maron, Laurent; Mazzanti, Marinella
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	73
Pages of publication	10268 - 10271
a	13.2055 ± 0.0006 Å
b	13.2859 ± 0.0006 Å
c	19.3107 ± 0.001 Å
α	81.584 ± 0.004°
β	73.829 ± 0.004°
γ	65.648 ± 0.004°
Cell volume	2962.5 ± 0.3 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
228047 (current)	2019-11-17	cif/ Updating files of 7122128, 7122129, 7122130, 7122131 Original log message: Adding full bibliography for 7122128--7122131.cif.	7122130.cif
209526	2018-08-10	cif/ Adding structures of 7122128, 7122129, 7122130, 7122131 via cif-deposit CGI script.	7122130.cif