Crystallography Open Database

Information card for entry 4135375

Preview

Coordinates	4135375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108.5 H94.5 F24 Fe2 N25 P4
Calculated formula	C108.5 H94.5 F24 Fe2 N25 P4
Title of publication	Rotaxanating Metallo-supramolecular Nano-cylinder Helicates to Switch DNA Junction Binding
Authors of publication	Hooper, Catherine A. J.; Cardo, Lucia; Craig, James S.; Melidis, Lazaros; Garai, Aditya; Egan, Ross T.; Sadovnikova, Viktoriia; Burkert, Florian; Male, Louise; Hodges, Nikolas J.; Browning, Douglas F.; Rosas, Roselyne; Liu, Fengbo; Rocha, Fillipe V.; Lima, Mauro A.; Liu, Simin; Bardelang, David; Hannon, Michael J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	14.6717 ± 0.0004 Å
b	18.6418 ± 0.0005 Å
c	22.0009 ± 0.0004 Å
α	66.665 ± 0.002°
β	83.538 ± 0.002°
γ	80.35 ± 0.001°
Cell volume	5439.9 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1686
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259211 (current)	2020-11-21	cif/ Adding structures of 4135375 via cif-deposit CGI script.	4135375.cif