Crystallography Open Database

Information card for entry 4300243

Preview

Coordinates	4300243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134.4 H209.4 Na6 O12.5
Calculated formula	C134.4 H206.9 Na6 O12.5
Title of publication	Alkali Salts of C3-Symmetric, Linked Aryloxides: Selective Binding of Substrates with Metal Aggregates
Authors of publication	Maarten B. Dinger; Michael J. Scott
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1238 - 1254
a	24.8459 ± 0.0013 Å
b	25.3049 ± 0.0014 Å
c	21.5905 ± 0.0012 Å
α	90°
β	91.816 ± 0.001°
γ	90°
Cell volume	13567.6 ± 1.3 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1501
Residual factor for significantly intense reflections	0.0968
Weighted residual factors for significantly intense reflections	0.2774
Weighted residual factors for all reflections included in the refinement	0.3336
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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