Crystallography Open Database

Information card for entry 7716607

Preview

Coordinates	7716607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.5 H52 Br4 Cu4 N8 S4
Calculated formula	C59.5 H52 Br4 Cu4 N8 S4
Title of publication	Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.
Authors of publication	Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	30
Pages of publication	12554 - 12559
a	10.3465 ± 0.0005 Å
b	13.9442 ± 0.0004 Å
c	21.4846 ± 0.001 Å
α	75.376 ± 0.004°
β	81.788 ± 0.004°
γ	81.693 ± 0.003°
Cell volume	2949.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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