Crystallography Open Database

Information card for entry 7129749

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Coordinates	7129749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H96 Cu3 F18 N60 Si3
Calculated formula	C84 H96 Cu3 F18 N60 Si3
Title of publication	Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet
Authors of publication	Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro
Journal of publication	Chemical Communications
Year of publication	2022
a	21.9827 ± 0.0003 Å
b	21.9827 ± 0.0003 Å
c	16.8317 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7044 ± 0.2 Å³
Cell temperature	25 K
Ambient diffraction temperature	20 K
Number of distinct elements	6
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.4132 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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