Crystallography Open Database

Information card for entry 7049609

Preview

Coordinates	7049609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H55 Cu F6 N7 O10 S2
Calculated formula	C53 H52 Cu F6 N6 O10 S2
Title of publication	Cu(ii) templated formation of [n]pseudorotaxanes (n = 2, 3, 4) using a tris-amino ether macrocyclic wheel and multidentate axles.
Authors of publication	Bej, Somnath; Nandi, Mandira; Ghosh, Tamal Kanti; Ghosh, Pradyut
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	20
Pages of publication	6853 - 6862
a	14.63 ± 0.004 Å
b	15.523 ± 0.004 Å
c	24.015 ± 0.007 Å
α	90°
β	98.701 ± 0.009°
γ	90°
Cell volume	5391 ± 3 Å³
Cell temperature	127 ± 2 K
Ambient diffraction temperature	127.56 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
224220 (current)	2019-11-08	cif/ Updating files of 7049609 Original log message: Adding full bibliography for 7049609.cif.	7049609.cif
214552	2019-04-09	cif/ Adding structures of 7049609 via cif-deposit CGI script.	7049609.cif