Crystallography Open Database

Information card for entry 4325735

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Coordinates	4325735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Cu N4 P S
Calculated formula	C34 H38 Cu N4 P S
Title of publication	Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper
Authors of publication	Gengwen Tan; Hongping Zhu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6979 - 6986
a	11.1838 ± 0.0008 Å
b	8.8057 ± 0.0008 Å
c	16.4636 ± 0.0013 Å
α	90°
β	97.681 ± 0.007°
γ	90°
Cell volume	1606.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0389
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	0.687
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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