Crystallography Open Database

Information card for entry 7129753

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Coordinates	7129753.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	300 K
Ambient diffraction temperature	300 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	0.0809
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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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