Crystallography Open Database

Information card for entry 4122761

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Coordinates	4122761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H168 Ag6 Cl12 F36 N24 P6 S6
Calculated formula	C144 H156 Ag6 F35.96 N24 P6 S6
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	43.3 ± 0.001 Å
b	43.3 ± 0.001 Å
c	43.3 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	81183 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	203
Hermann-Mauguin space group symbol	F d -3 :2
Hall space group symbol	-F 2uv 2vw 3
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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