Crystallography Open Database

Information card for entry 4349581

Preview

Coordinates	4349581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Ni P S6
Calculated formula	C40 H40 Ni P 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	20.478 ± 0.0004 Å
b	18.0224 ± 0.0004 Å
c	11.1559 ± 0.0002 Å
α	90°
β	108.495 ± 0.001°
γ	90°
Cell volume	3904.58 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0486
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	4349581.cif