Crystallography Open Database

Information card for entry 1558026

Preview

Coordinates	1558026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.75 H28 Ag F3 N2 O3.75 P S
Calculated formula	C31.75 H28 Ag F3 N2 O3.75 P S
Title of publication	Rotation of a helical coordination polymer by mechanical grinding.
Authors of publication	Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	46
Pages of publication	6289 - 6292
a	26.6378 ± 0.0006 Å
b	9.0287 ± 0.0002 Å
c	27.648 ± 0.0006 Å
α	90°
β	110.854 ± 0.001°
γ	90°
Cell volume	6213.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0795
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
253794 (current)	2020-07-06	cif/ Updating files of 1558026, 1558027 Original log message: Adding full bibliography for 1558026--1558027.cif.	1558026.cif
251870	2020-05-07	cif/ Adding structures of 1558026, 1558027 via cif-deposit CGI script.	1558026.cif