Crystallography Open Database

Information card for entry 1554184

Preview

Coordinates	1554184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 I2
Calculated formula	C28 H20 I2
Title of publication	Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.
Authors of publication	Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Mézière, Cécile; Bastien, Guillaume; Lemouchi, Cyprien; Garcia-Garibay, Miguel A; Batail, Patrick
Journal of publication	Nano letters
Year of publication	2018
Journal volume	18
Journal issue	6
Pages of publication	3780 - 3784
a	10.0535 ± 0.0008 Å
b	7.3424 ± 0.0005 Å
c	16.0744 ± 0.0015 Å
α	90°
β	91.669 ± 0.006°
γ	90°
Cell volume	1186.06 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
236743 (current)	2019-11-24	cif/ Adding structures of 1554184 via cif-deposit CGI script.	1554184.cif