Crystallography Open Database

Information card for entry 4300075

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Coordinates	4300075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cu2 O2 P2 S2
Calculated formula	C40 H36 Cu2 O2 P2 S2
Title of publication	Chemistry of Thiocarboxylates: Synthesis and Structures of Neutral Copper(I) Thiocarboxylates with Triphenylphosphine
Authors of publication	Theivanayagam C. Deivaraj; Ghee Xiong Lai; Jagadese J. Vittal
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1028 - 1034
a	11.5844 ± 0.0003 Å
b	13.2459 ± 0.0003 Å
c	14.3433 ± 0.0003 Å
α	64.019 ± 0.001°
β	79.297 ± 0.001°
γ	69.426 ± 0.001°
Cell volume	1850.98 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0797
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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