Crystallography Open Database

Information card for entry 4304965

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Structure parameters

Formula	C61 H65 Cl Co F24 N14 O P4
Calculated formula	C61 H65 Cl Co F24 N14 O P4
SMILES	[Co]12345[n]6c(ccc(C[n+]7ccn(Cc8c(c(c(c(c8CC)Cn8cc[n+](c8)Cc8ccc(c9cccc[n]59)[n]4c8)CC)Cn4cc[n+](c4)Cc4ccc(c5cccc[n]35)[n]2c4)CC)c7)c6)c2cccc[n]12.[Cl-].O.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Redox Active Cage for the Electrochemical Sensing of Anions
Authors of publication	Valeria Amendola; Massimo Boiocchi; Benoît Colasson; Luigi Fabbrizzi; Enrico Monzani; Maria Jesús Douton-Rodriguez; Cristina Spadini
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4808 - 4816
a	11.294 ± 0.0012 Å
b	15.2088 ± 0.0016 Å
c	25.1876 ± 0.0014 Å
α	79.766 ± 0.003°
β	88.132 ± 0.005°
γ	85.28 ± 0.004°
Cell volume	4242.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.208
Residual factor for significantly intense reflections	0.1335
Weighted residual factors for significantly intense reflections	0.3701
Weighted residual factors for all reflections included in the refinement	0.4104
Goodness-of-fit parameter for all reflections included in the refinement	1.31
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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