Crystallography Open Database

Information card for entry 4102459

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Coordinates	4102459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 Cl3 N14 O8 Zn
Calculated formula	C21 H22 Cl3 N14 O8 Zn
Title of publication	Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits
Authors of publication	Yasushi Morita; Yumi Yakiyama; Shigeaki Nakazawa; Tsuyoshi Murata; Tomoaki Ise; Daisuke Hashizume; Daisuke Shiomi; Kazunobu Sato; Masahiro Kitagawa; Kazuhiro Nakasuji; Takeji Takui
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	6944 - 6946
a	27.4205 ± 0.0013 Å
b	12.9142 ± 0.0008 Å
c	17.9911 ± 0.0009 Å
α	90°
β	99.7512 ± 0.0012°
γ	90°
Cell volume	6278.9 ± 0.6 Å³
Cell temperature	293.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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