Crystallography Open Database

Information card for entry 7121314

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Coordinates	7121314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 I Ni P2 S
Calculated formula	C35 H55 I Ni P2 S
Title of publication	Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.
Authors of publication	Terada, Misaki; Nishii, Yuji; Miura, Masahiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	23
Pages of publication	2918 - 2921
a	12.354 ± 0.009 Å
b	16.268 ± 0.011 Å
c	20.938 ± 0.014 Å
α	75.82 ± 0.02°
β	88.78 ± 0.03°
γ	78.187 ± 0.016°
Cell volume	3992 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1921
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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