Crystallography Open Database

Information card for entry 7710755

Preview

Coordinates	7710755.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Magnesium bis(2-thiopyridide) DME adduct
Formula	C14 H18 Mg N2 O2 S2
Calculated formula	C14 H18 Mg N2 O2 S2
SMILES	S1c2[n](cccc2)[Mg]231(Sc1[n]3cccc1)[O](CC[O]2C)C
Title of publication	Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand
Authors of publication	Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.627 ± 0.0003 Å
b	12.5306 ± 0.0005 Å
c	14.0589 ± 0.0005 Å
α	90°
β	102.135 ± 0.002°
γ	90°
Cell volume	1658.06 ± 0.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276839 (current)	2022-07-23	cif/ Adding structures of 7710749, 7710750, 7710751, 7710752, 7710753, 7710754, 7710755, 7710756 via cif-deposit CGI script.	7710755.cif