Crystallography Open Database

Information card for entry 7121312

Preview

Coordinates	7121312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H59 I Ni P2 S
Calculated formula	C37 H59 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	8.481 ± 0.011 Å
b	11.052 ± 0.015 Å
c	21.03 ± 0.03 Å
α	96.001 ± 0.014°
β	91.24 ± 0.03°
γ	101.865 ± 0.019°
Cell volume	1917 ± 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	0.0775
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228452 (current)	2019-11-17	cif/ Updating files of 7121308, 7121309, 7121310, 7121311, 7121312, 7121313, 7121314 Original log message: Adding full bibliography for 7121308--7121314.cif.	7121312.cif
206631	2018-02-24	cif/ Adding structures of 7121308, 7121309, 7121310, 7121311, 7121312, 7121313, 7121314 via cif-deposit CGI script.	7121312.cif