Crystallography Open Database

Information card for entry 4324995

Preview

Coordinates	4324995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.5 H115.5 K2 N12.5 Ni2 O19.5
Calculated formula	C85.5 H115.5 K2 N12.5 Ni2 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	22.2311 ± 0.0004 Å
b	35.1796 ± 0.0006 Å
c	27.2846 ± 0.0005 Å
α	90°
β	112.846 ± 0.001°
γ	90°
Cell volume	19664.8 ± 0.6 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	0.0666
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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