Crystallography Open Database

Information card for entry 7156670

Preview

Coordinates	7156670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H106 Ag F3 N6 O21 S
Calculated formula	C59 H66 Ag F3 N6 O17 S
Title of publication	Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.
Authors of publication	Lewis, James E. M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	9
Pages of publication	2442 - 2447
a	28.3764 ± 0.0009 Å
b	22.9821 ± 0.0008 Å
c	26.0316 ± 0.001 Å
α	90°
β	110.512 ± 0.004°
γ	90°
Cell volume	15900.2 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2218
Weighted residual factors for all reflections included in the refinement	0.2435
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
225216 (current)	2019-11-08	cif/ Updating files of 7156668, 7156669, 7156670 Original log message: Adding full bibliography for 7156668--7156670.cif.	7156670.cif
213512	2019-02-06	cif/ Adding structures of 7156668, 7156669, 7156670 via cif-deposit CGI script.	7156670.cif