Crystallography Open Database

Information card for entry 4336104

Preview

Coordinates	4336104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Ag2 I6 N4
Calculated formula	C48 H40 Ag2 I6 N4
SMILES	C1c2ccc(cc2)c2ccc(cc2)C[n+]2ccc(cc2)c2cc[n+](Cc3ccc(cc3)c3ccc(cc3)C[n+]3ccc(cc3)c3cc[n+]1cc3)cc2.[I]1[Ag]([I][Ag]1I)I.[I-].[I-]
Title of publication	Hybrid Inorganic-Organic Polyrotaxane, Pseudorotaxane, and Sandwich
Authors of publication	Li Yu; Mian Li; Xiao-Ping Zhou; Dan Li
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10232 - 10234
a	10.7926 ± 0.0002 Å
b	12.9547 ± 0.0003 Å
c	18.1241 ± 0.0004 Å
α	90°
β	99.569 ± 0.002°
γ	90°
Cell volume	2498.76 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.2116
Weighted residual factors for all reflections included in the refinement	0.2288
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4336104.html