Crystallography Open Database: Information card for 7000216

Structure parameters

Formula	C73 H172 Cl8 Mn10 N8 O50
Calculated formula	C73 H172 Cl8 Mn10 N8 O50
Title of publication	A mononuclear MnIII/‘bis-tris’ complex and its conversion to a mixed-valence MnII/III5 cluster
Authors of publication	Stamatatos, Theocharis C.; Abboud, Khalil A.; Christou, George
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	41 - 50
a	13.046 ± 0.0007 Å
b	14.7764 ± 0.0007 Å
c	32.4347 ± 0.0016 Å
α	90.395 ± 0.001°
β	101.172 ± 0.001°
γ	110.509 ± 0.001°
Cell volume	5726.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Hermann-Mauguin symmetry space group	P -1
Hall symmetry space group	-P 1
Residual factor for all reflections	0.1102
Residual factor for observed reflections	0.0653
Weighted residual factors for the observed reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for observed reflections	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Crystallography Open Database