Crystallography Open Database

Information card for entry 7125445

Preview

Coordinates	7125445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 I14 N4
Calculated formula	C36 H32 I14 N4
Title of publication	Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I<sup>-</sup> and I<sub>2</sub> tectons.
Authors of publication	Savastano, Matteo; Bazzicalupi, Carla; Gellini, Cristina; Bianchi, Antonio
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	4
Pages of publication	551 - 554
a	10.3325 ± 0.0002 Å
b	12.4358 ± 0.0003 Å
c	21.5144 ± 0.0005 Å
α	95.149 ± 0.002°
β	99.946 ± 0.002°
γ	98.812 ± 0.002°
Cell volume	2671.52 ± 0.11 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247592 (current)	2020-02-04	cif/ Updating files of 7125445, 7125446 Original log message: Adding full bibliography for 7125445--7125446.cif.	7125445.cif
243759	2019-11-27	cif/ Adding structures of 7125445, 7125446 via cif-deposit CGI script.	7125445.cif