Crystallography Open Database

Information card for entry 4081689

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Coordinates	4081689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H81 Au2 Cl5 N4 O4
Calculated formula	C74.012 H80.028 Au2 Cl2 N4 O4
Title of publication	Novel Ruthenium(II) and Gold(I) NHC Complexes: Synthesis, Characterization, and Evaluation of Their Anticancer Properties
Authors of publication	Hackenberg, Frauke; Müller-Bunz, Helge; Smith, Raymond; Streciwilk, Wojciech; Zhu, Xiangming; Tacke, Matthias
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5551
a	11.1988 ± 0.0002 Å
b	20.6671 ± 0.0003 Å
c	17.453 ± 0.0004 Å
α	90°
β	105.969 ± 0.002°
γ	90°
Cell volume	3883.56 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.0292
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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