Crystallography Open Database

Information card for entry 4128336

Preview

Coordinates	4128336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H141 F12 Ir4 N16 O16.5 S4
Calculated formula	C125 H125.5 F12 Ir4 N13.5 O12.5 S4
Title of publication	Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.
Authors of publication	Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	16057 - 16063
a	49.616 ± 0.002 Å
b	15.5826 ± 0.0007 Å
c	37.8111 ± 0.0016 Å
α	90°
β	106.495 ± 0.002°
γ	90°
Cell volume	28030 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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