Crystallography Open Database

Information card for entry 7120395

7120394 << 7120395 >> 7120396

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Structure parameters

Formula	C47 H30 Ag2 Cl2 F6 N4 O6 S2
Calculated formula	C47 H30 Ag2 Cl2 F6 N4 O6 S2
SMILES	[Ag]1[n]2c(C#Cc3c4cc5C#Cc6[n]([Ag][n]7ccccc7C#Cc7cc(CCc5c3)c(C#Cc3[n]1cccc3)cc7CC4)cccc6)cccc2.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)([O-])C(F)(F)F.ClCCl
Title of publication	A silver(i)-induced higher-ordered structure based on planar chiral tetrasubstituted [2.2]paracyclophane
Authors of publication	Gon, Masayuki; Morisaki, Yasuhiro; Chujo, Yoshiki
Journal of publication	Chem. Commun.
Year of publication	2017
a	14.8841 ± 0.0007 Å
b	14.9687 ± 0.0007 Å
c	21.4518 ± 0.001 Å
α	90°
β	102.663 ± 0.007°
γ	90°
Cell volume	4663.1 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1674
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7120395.cif
198558	2017-07-08	cif/ Adding structures of 7120394, 7120395 via cif-deposit CGI script.	7120395.cif