Crystallography Open Database

Information card for entry 7713888

Preview

Coordinates	7713888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Mg N2 O
Calculated formula	C40 H56 Mg N2 O
SMILES	[Mg]1([O]2CCCC2)(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1ccc(cc1)C
Title of publication	Atom economic access to cationic magnesium complexes
Authors of publication	Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.2045 ± 0.0002 Å
b	12.8235 ± 0.0003 Å
c	15.2783 ± 0.0003 Å
α	97.717 ± 0.002°
β	91.981 ± 0.002°
γ	94.629 ± 0.002°
Cell volume	1779.31 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0483
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285958 (current)	2023-09-02	cif/ Adding structures of 7713882, 7713883, 7713884, 7713885, 7713886, 7713887, 7713888, 7713889 via cif-deposit CGI script.	7713888.cif