Crystallography Open Database

Information card for entry 4336432

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Coordinates	4336432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H61 Cl3 Mn4 N4 O22
Calculated formula	C38 H49 Cl3 Mn4 N4 O18
Title of publication	Cubane-Type CuII4 and MnII2MnIII2 Complexes Based on Pyridoxine: A Versatile Ligand for Metal Assembling
Authors of publication	Nadia Marino; Donatella Armentano; Teresa F. Mastropietro; Miguel Julve; Giovanni De Munno; José Martínez-Lillo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11934 - 11943
a	11.6914 ± 0.0005 Å
b	11.8134 ± 0.0005 Å
c	20.2545 ± 0.0008 Å
α	97.992 ± 0.002°
β	102.438 ± 0.002°
γ	90.994 ± 0.002°
Cell volume	2702 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0649
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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