Crystallography Open Database

Information card for entry 7107207

Preview

Coordinates	7107207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H88.5 Cl0.5 N36 Ni9 O23
Calculated formula	C56 H72 Cl0.5 N36 Ni9 O23
Title of publication	A new enneanuclear nickel(II) cluster with a rectangular face-centered trigonal prism structure and cluster glass behavior
Authors of publication	Jing-Yuan Xu; Hai-Bin Song; Gong-Feng Xu; Xin Qiao; Shi-Ping Yan; Dai-Zheng Liao; Yves Journaux; Joan Cano
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	1015
a	16.455 ± 0.006 Å
b	16.455 ± 0.006 Å
c	58.56 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	13732 ± 8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
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	0.0602
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.235
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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