Crystallography Open Database

Information card for entry 1573845

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Coordinates	1573845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H46 Co N2 P2 S4
Calculated formula	C62 H46 Co N2 P2 S4
Title of publication	Cobalt and Iron Cyano Benzene Bis(Dithiolene) Complexes
Authors of publication	Costa, António G.; Lopes, Gonçalo; Rodrigues, João F. G.; Santos, Isabel C.; Simão, Dulce; Lopes, Elsa B.; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra
Journal of publication	Crystals
Year of publication	2024
Journal volume	14
Journal issue	5
Pages of publication	469
a	14.0437 ± 0.0007 Å
b	22.4513 ± 0.0013 Å
c	26.2961 ± 0.0015 Å
α	88.93 ± 0.002°
β	78.425 ± 0.002°
γ	87.578 ± 0.002°
Cell volume	8114.8 ± 0.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3416
Residual factor for significantly intense reflections	0.0945
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	0.825
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
297586 (current)	2025-02-04	cif/ Adding structures of 1573845 via cif-deposit CGI script.	1573845.cif