Crystallography Open Database

Information card for entry 4124880

Preview

Coordinates	4124880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C190 H177 F24 N27 O36 S8 Zn4
Calculated formula	C189 H177 F20.9998 N27 O32.9999 S6.99995 Zn4
Title of publication	Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.
Authors of publication	Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	6
Pages of publication	1812 - 1815
a	27.046 ± 0.0005 Å
b	27.046 ± 0.0005 Å
c	37.5383 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	23780 ± 0.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177405 (current)	2016-03-04	cif/ Updating files of 4124879, 4124880 Original log message: Adding full bibliography for 4124879--4124880.cif.	4124880.cif
175428	2016-02-03	cif/ Adding structures of 4124880 via cif-deposit CGI script.	4124880.cif