Crystallography Open Database

Information card for entry 7008248

Preview

Coordinates	7008248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80.5 H63 Cu2 F18 N10 O5.5 P3
Calculated formula	C80.5 H63 Cu2 F18 N10 O5.5 P3
Title of publication	Hairpin helicates: a missing link between double-helicates and trefoil knots.
Authors of publication	Constable, Edwin C.; Figgemeier, Egbert; Hougen, Inger Annette; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Whall, Louise A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	7
Pages of publication	1168 - 1175
a	11.7086 ± 0.0011 Å
b	17.378 ± 0.003 Å
c	19.3791 ± 0.0009 Å
α	92.837 ± 0.007°
β	92.355 ± 0.006°
γ	98.49 ± 0.012°
Cell volume	3890.4 ± 0.8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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