Crystallography Open Database

Information card for entry 7042092

7042091 << 7042092 >> 7042093

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Coordinates	7042092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Mn3 N32 O6
Calculated formula	C60 H66 Mn3 N32 O6
Title of publication	Redox state manipulation of a tris(p-tetrazolylphenyl)amine ligand and its Mn(2+) coordination frameworks.
Authors of publication	Hua, Carol; Ge, Jing-Yuan; Tuna, Floriana; Collison, David; Zuo, Jing-Lin; D'Alessandro, Deanna M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	9
Pages of publication	2998 - 3007
a	16.465 ± 0.0014 Å
b	16.465 ± 0.0014 Å
c	47.04 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	11043.9 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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