Crystallography Open Database

Information card for entry 7712109

Preview

Coordinates	7712109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H59 N2 O2 Sm
Calculated formula	C41 H59 N2 O2 Sm
SMILES	[Sm]12345678([O]9CCCC9)([O]9CCCC9)(N(c9c(cccc9C(C)C)C(C)C)C=[N]1c1c(C(C)C)cccc1C(C)C)[CH]1=[CH]2[CH]6=[CH]5[CH]4=[CH]7[CH]8=[CH]31
Title of publication	Formation of a cyclooctatetraenylsamarium(III) inverse sandwich that ring-opens tetrahydrofuran.
Authors of publication	Peedika Paramban, Ramees; Guo, Zhifang; Deacon, Glen B.; Junk, Peter C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	10.842 ± 0.002 Å
b	18.607 ± 0.004 Å
c	18.765 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3785.6 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280340 (current)	2023-01-14	cif/ Adding structures of 7712108, 7712109, 7712110 via cif-deposit CGI script.	7712109.cif