Crystallography Open Database

Information card for entry 7063337

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Coordinates	7063337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Co F6 N7 P
Calculated formula	C18 H27 Co F6 N7 P
Title of publication	Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes
Authors of publication	Rodriguez Segura, Leobardo; Ren, Tong
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	29
Pages of publication	13030 - 13037
a	16.3877 ± 0.0007 Å
b	18.7783 ± 0.0008 Å
c	7.5802 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2332.68 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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