Crystallography Open Database

Information card for entry 4311284

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Coordinates	4311284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H114 Cl6 Fe6 N6 O12
Calculated formula	C60.006 H114 Cl6 Fe6 N6 O12
Title of publication	Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,
Authors of publication	Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4372 - 4382
a	21.1158 ± 0.0004 Å
b	16.4674 ± 0.0004 Å
c	22.4019 ± 0.0005 Å
α	90°
β	97.2888 ± 0.0013°
γ	90°
Cell volume	7726.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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