Crystallography Open Database

Information card for entry 7708351

Preview

Coordinates	7708351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H65 Co Mg N2
Calculated formula	C45 H65 Co Mg N2
SMILES	[Co]123456([CH]7=[CH]3CC[CH]4=[CH]2CC7)([CH]2=[CH]5CC[CH]6=[CH]1CC2)[Mg]1[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity
Authors of publication	Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert
Journal of publication	Dalton Transactions
Year of publication	2021
a	19.3913 ± 0.0004 Å
b	16.0799 ± 0.0004 Å
c	24.4772 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7632.2 ± 0.3 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
269222 (current)	2021-09-21	cif/ Adding structures of 7708349, 7708350, 7708351, 7708352, 7708353, 7708354, 7708355, 7708356, 7708357 via cif-deposit CGI script.	7708351.cif