Crystallography Open Database

Information card for entry 4349585

Preview

Coordinates	4349585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Ni S6
Calculated formula	C16 H20 Ni S6
Title of publication	Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms
Authors of publication	Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	2
Pages of publication	270
a	6.191 ± 0.0002 Å
b	29.9727 ± 0.0009 Å
c	10.4844 ± 0.0003 Å
α	90°
β	96.24 ± 0.002°
γ	90°
Cell volume	1933.97 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
234898 (current)	2019-11-23	cif/ Adding structures of 4349579, 4349580, 4349581, 4349582, 4349583, 4349584, 4349585, 4349586, 4349587 via cif-deposit CGI script.	4349585.cif