Crystallography Open Database

Information card for entry 4300076

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Coordinates	4300076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82.5 H67 Cl Cu4 O5 P3 S4
Calculated formula	C82.5 H66 Cl Cu4 O5 P3 S4
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	12.4413 ± 0.0001 Å
b	15.5443 ± 0.0001 Å
c	20.4637 ± 0.0003 Å
α	94.974 ± 0.001°
β	95.976 ± 0.001°
γ	100.45 ± 0.001°
Cell volume	3848.09 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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