Crystallography Open Database

Information card for entry 4349587

Preview

Coordinates	4349587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Ni S6
Calculated formula	C20 H28 Ni S6
SMILES	c12c(c(c(s1)C(C)C)C(C)C)S[Ni]1(S2)Sc2c(S1)sc(c2C(C)C)C(C)C
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	5.6359 ± 0.0002 Å
b	8.354 ± 0.0004 Å
c	12.3983 ± 0.0005 Å
α	97.787 ± 0.002°
β	97.987 ± 0.002°
γ	100.485 ± 0.002°
Cell volume	560.62 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4349587.cif