Crystallography Open Database

Information card for entry 4076280

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Coordinates	4076280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H40 Cl5 Cu N2
Calculated formula	C29 H40 Cl5 Cu N2
Title of publication	Synthesis, Structure, and CO2Reactivity of a Two-Coordinate (Carbene)copper(I) Methyl Complex
Authors of publication	Mankad, Neal P.; Gray, Thomas G.; Laitar, David S.; Sadighi, Joseph P.
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	6
Pages of publication	1191
a	9.5298 ± 0.0008 Å
b	16.3972 ± 0.0014 Å
c	11.1057 ± 0.001 Å
α	90°
β	103.348 ± 0.001°
γ	90°
Cell volume	1688.5 ± 0.3 Å³
Cell temperature	194 ± 2 K
Ambient diffraction temperature	194 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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