Crystallography Open Database

Information card for entry 7042091

7042090 << 7042091 >> 7042092

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Coordinates	7042091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H24 Mn3 N26 O6
Calculated formula	C43.9998 H24 Mn3 N26 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	16.5089 ± 0.001 Å
b	16.5089 ± 0.001 Å
c	45.518 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	10743.6 ± 1.7 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	0.0769
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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