Crystallography Open Database

Information card for entry 4124879

Preview

Coordinates	4124879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C399 H382.5 Cd8 F48 N63.5 O72 S16
Calculated formula	C395.1 H373.5 Cd8 F36.3 N63.5 O60.3 S12.1
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	90.538 ± 0.007 Å
b	27.809 ± 0.002 Å
c	48.343 ± 0.003 Å
α	90°
β	119.129 ± 0.003°
γ	90°
Cell volume	106323 ± 13 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.146
Residual factor for significantly intense reflections	0.1192
Weighted residual factors for significantly intense reflections	0.3429
Weighted residual factors for all reflections included in the refinement	0.3588
Goodness-of-fit parameter for all reflections included in the refinement	1.372
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.	4124879.cif
175427	2016-02-03	cif/ Adding structures of 4124879 via cif-deposit CGI script.	4124879.cif