Crystallography Open Database

Information card for entry 1564236

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Coordinates	1564236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H163 Ag3 Au6 Cu3 F9 N6 O33.5 P6 S6
Calculated formula	C112 H132 Ag3 Au6 Cu3 N6 O15 P6 S6
Title of publication	A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice
Authors of publication	Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi
Journal of publication	Chemical Science
Year of publication	2021
a	33.804 ± 0.005 Å
b	33.804 ± 0.005 Å
c	81.734 ± 0.016 Å
α	90°
β	90°
γ	120°
Cell volume	80885 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	10
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.62997 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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