Crystallography Open Database

Information card for entry 7035607

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Coordinates	7035607.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mes2tBu2Ni2(PCy3)2
Formula	C80 H114 Ni2 P2 S2
Calculated formula	C80 H114 Ni2 P2 S2
Title of publication	Binuclear complexes of Ni(i) from 4-terphenyldithiophenol.
Authors of publication	Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	29
Pages of publication	13315 - 13324
a	11.1421 ± 0.0004 Å
b	12.9165 ± 0.0005 Å
c	26.8959 ± 0.001 Å
α	95.241 ± 0.001°
β	91.529 ± 0.001°
γ	111.598 ± 0.001°
Cell volume	3576.3 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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