Crystallography Open Database

Information card for entry 4301246

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Coordinates	4301246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H57 Cu N
Calculated formula	C43 H57 Cu N
SMILES	[Cu](c1c(c2c(cc(cc2C(C)C)C(C)C)C(C)C)cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)[n]1c(cccc1C)C
Title of publication	A Series of Mononuclear Quasi-Two-Coordinate Copper(I) Complexes Employing a Sterically Demanding Thiolate Ligand
Authors of publication	Stanislav Groysman; R. H. Holm
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	621 - 627
a	12.249 ± 0.005 Å
b	12.703 ± 0.005 Å
c	13.849 ± 0.005 Å
α	112.348 ± 0.005°
β	102.337 ± 0.005°
γ	90.85 ± 0.005°
Cell volume	1936 ± 1.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.0547
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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