Crystallography Open Database

Information card for entry 4324994

Preview

Coordinates	4324994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.5 H115.5 K2 Mn2 N12.5 O19.5
Calculated formula	C85.5 H115.5 K2 Mn2 N12.5 O19.5
Title of publication	Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand
Authors of publication	Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4107 - 4115
a	22.217 ± 0.0005 Å
b	35.2641 ± 0.0008 Å
c	27.4328 ± 0.0008 Å
α	90°
β	112.435 ± 0.001°
γ	90°
Cell volume	19865.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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