Crystallography Open Database

Information card for entry 7121311

Preview

Coordinates	7121311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H66 B Br Cl2 Ni O2 P2 S
Calculated formula	C41 H61 B Br Cl2 Ni O2 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	23.717 ± 0.006 Å
b	11.746 ± 0.002 Å
c	16.282 ± 0.004 Å
α	90°
β	105.722 ± 0.005°
γ	90°
Cell volume	4366.1 ± 1.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1724
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7121311.cif
206631	2018-02-24	cif/ Adding structures of 7121308, 7121309, 7121310, 7121311, 7121312, 7121313, 7121314 via cif-deposit CGI script.	7121311.cif