Crystallography Open Database

Information card for entry 7710756

Preview

Coordinates	7710756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Mg2 N6 S6
Calculated formula	C40 H42 Mg2 N6 S6
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	12.1983 ± 0.0006 Å
b	12.2683 ± 0.0008 Å
c	14.8689 ± 0.001 Å
α	87.806 ± 0.005°
β	76.581 ± 0.005°
γ	79.929 ± 0.005°
Cell volume	2131.1 ± 0.2 Å³
Cell temperature	99.9 ± 0.2 K
Ambient diffraction temperature	99.9 ± 0.2 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	0.1297
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
276839 (current)	2022-07-23	cif/ Adding structures of 7710749, 7710750, 7710751, 7710752, 7710753, 7710754, 7710755, 7710756 via cif-deposit CGI script.	7710756.cif