Crystallography Open Database

Information card for entry 7063336

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Coordinates	7063336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 Co F6 N5 P
Calculated formula	C23 H31 Co F6 N5 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	13.7682 ± 0.0009 Å
b	11.5419 ± 0.0007 Å
c	15.7248 ± 0.001 Å
α	90°
β	90.394 ± 0.003°
γ	90°
Cell volume	2498.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0589
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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