Crystallography Open Database

Information card for entry 7045239

Preview

Coordinates	7045239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H300 Cl4 Cu4 F12 N4 O56 Rh4 S4
Calculated formula	C164 H176 Cl4 Cu4 F12 N4 O44 Rh4 S4
Title of publication	Host-guest capability of a three-dimensional heterometallic macrocycle.
Authors of publication	Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	7
Pages of publication	2240 - 2246
a	17.0424 ± 0.0008 Å
b	17.8943 ± 0.0009 Å
c	20.729 ± 0.001 Å
α	97.404 ± 0.002°
β	111.887 ± 0.002°
γ	110.504 ± 0.002°
Cell volume	5243.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.1237
Weighted residual factors for significantly intense reflections	0.3516
Weighted residual factors for all reflections included in the refinement	0.361
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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