Crystallography Open Database

Information card for entry 4122767

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Coordinates	4122767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H56 Ag2 Cl4 F6 N8 O6 S4
Calculated formula	C58 H56 Ag2 Cl4 F6 N8 O6 S4
Title of publication	Porous molecular crystals by macrocyclic coordination supramolecules.
Authors of publication	Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	42
Pages of publication	14883 - 14895
a	22.444 ± 0.001 Å
b	20.464 ± 0.001 Å
c	28.423 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	13054.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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