Crystallography Open Database

Information card for entry 1570274

Preview

Coordinates	1570274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 Cl2 Mn N6 O
Calculated formula	C19 H18 Cl2 Mn N6 O
SMILES	[Mn]123(Cl)(Cl)[n]4ccn(c4C(O)(c4[n]1ccn4C)c1[n]2c(ccc1)c1[n]3cccc1)C
Title of publication	Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.
Authors of publication	Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	20
Pages of publication	7221
a	19.775 ± 0.005 Å
b	17.494 ± 0.004 Å
c	14.574 ± 0.004 Å
α	90°
β	129.016 ± 0.008°
γ	90°
Cell volume	3917.3 ± 1.8 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
287458 (current)	2023-11-07	cif/ Adding structures of 1570274 via cif-deposit CGI script.	1570274.cif