Crystallography Open Database

Information card for entry 7129754

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Coordinates	7129754.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	22.0326 ± 0.0002 Å
b	22.0326 ± 0.0002 Å
c	17.1446 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	7207.58 ± 0.16 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0703
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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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