Crystallography Open Database

Information card for entry 7024250

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Coordinates	7024250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H30 Cu F3 N5 O5 S
Calculated formula	C13 H30 Cu F3 N5 O5 S
Title of publication	Nitrite reduction by copper complexes.
Authors of publication	Woollard-Shore, John G; Holland, Jason P.; Jones, Michael W.; Dilworth, Jonathan R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1576 - 1585
a	10.5877 ± 0.0002 Å
b	12.3918 ± 0.0002 Å
c	16.0937 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2111.5 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for all reflections	0.0771
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.0076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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