Crystallography Open Database

Information card for entry 7121310

Preview

Coordinates	7121310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H104 Ni2 O2 P4 S2
Calculated formula	C76 H104 Ni2 O2 P4 S2
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	48.534 ± 0.008 Å
b	12.095 ± 0.002 Å
c	26.019 ± 0.005 Å
α	90°
β	110.276 ± 0.004°
γ	90°
Cell volume	14327 ± 4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.146
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7121310.cif
206631	2018-02-24	cif/ Adding structures of 7121308, 7121309, 7121310, 7121311, 7121312, 7121313, 7121314 via cif-deposit CGI script.	7121310.cif