Crystallography Open Database

Information card for entry 7705430

Preview

Coordinates	7705430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H53 Cl2 Mn N6 O12
Calculated formula	C32 H53 Cl2 Mn N6 O12
Title of publication	A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.
Authors of publication	Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	40
Pages of publication	14216 - 14230
a	8.8844 ± 0.0006 Å
b	17.8723 ± 0.0012 Å
c	11.6799 ± 0.0008 Å
α	90°
β	92.26 ± 0.002°
γ	90°
Cell volume	1853.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0451
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
258851 (current)	2020-11-06	cif/ Updating files of 7705430, 7705431, 7705432, 7705433 Original log message: Adding full bibliography for 7705430--7705433.cif.	7705430.cif
256448	2020-09-16	cif/ Adding structures of 7705430, 7705431, 7705432, 7705433 via cif-deposit CGI script.	7705430.cif