Crystallography Open Database

Information card for entry 7707394

Preview

Coordinates	7707394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H88 Cl2 Mn2 N12 O11
Calculated formula	C74 H88 Cl2 Mn2 N12 O11
Title of publication	A combined experimental and theoretical study on a single, unsupported oxo-bridged Mn(III,III) dimer coordinated to two iminobenzosemiquinone π-radical anions.
Authors of publication	Paul, Ganesh Chandra; Sarkar, Prasenjit; Sarmah, Amrit; Shaw, Prantick; Maity, Suvendu; Mukherjee, Chandan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	25
Pages of publication	8768 - 8775
a	11.6558 ± 0.0011 Å
b	12.3631 ± 0.0009 Å
c	13.9426 ± 0.0009 Å
α	71.247 ± 0.006°
β	78.54 ± 0.007°
γ	82.261 ± 0.007°
Cell volume	1859.1 ± 0.3 Å³
Cell temperature	100 ± 0.13 K
Ambient diffraction temperature	100 ± 0.13 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267174 (current)	2021-07-05	cif/ Updating files of 7707394 Original log message: Adding full bibliography for 7707394.cif.	7707394.cif
265236	2021-05-15	cif/ Adding structures of 7707394 via cif-deposit CGI script.	7707394.cif