Crystallography Open Database

Information card for entry 7120556

7120555 << 7120556 >> 7120557

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Structure parameters

Formula	C29 H26 Cl2 N8
Calculated formula	C29 H26 Cl2 N8
SMILES	[Cl-].[Cl-].n1(c[n+](Cc2nc(c3ncccc3)ccc2)cc1)Cn1c[n+](Cc2nc(ccc2)c2ncccc2)cc1
Title of publication	Defined tetranuclear coinage metal chains
Authors of publication	Kaub, Christoph; Lebedkin, Sergei; Bestgen, Sebastian; Köppe, Ralf; Kappes, Manfred M.; Roesky, Peter W.
Journal of publication	Chem. Commun.
Year of publication	2017
a	11.9504 ± 0.0009 Å
b	12.7279 ± 0.001 Å
c	17.9011 ± 0.0013 Å
α	92.009 ± 0.006°
β	96.335 ± 0.006°
γ	92.319 ± 0.006°
Cell volume	2701.8 ± 0.4 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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