Crystallography Open Database

Information card for entry 7716605

Preview

Coordinates	7716605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H36 Cl4 Cu4 N4 O4
Calculated formula	C52 H36 Cl4 Cu4 N4 O4
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	9.3512 ± 0.0002 Å
b	30.6297 ± 0.0007 Å
c	16.8167 ± 0.0005 Å
α	90°
β	94.298 ± 0.002°
γ	90°
Cell volume	4803.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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