Crystallography Open Database

Information card for entry 4134750

Preview

Coordinates	4134750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C312 H210 Co6 F72 N72 O48 S24
Calculated formula	C296 H210 Co6 F24 N64 O16 S8
Title of publication	Narcissistic, Integrative, and Kinetic Self-Sorting within a System of Coordination Cages.
Authors of publication	Rizzuto, Felix J.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	17
Pages of publication	7749 - 7753
a	26.428 ± 0.005 Å
b	34.545 ± 0.007 Å
c	48.902 ± 0.01 Å
α	79.82 ± 0.03°
β	85.36 ± 0.03°
γ	78.09 ± 0.03°
Cell volume	42951 ± 16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2107
Residual factor for significantly intense reflections	0.1698
Weighted residual factors for significantly intense reflections	0.3991
Weighted residual factors for all reflections included in the refinement	0.4249
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251444 (current)	2020-05-04	cif/ Updating files of 4134750 Original log message: Adding full bibliography for 4134750.cif.	4134750.cif
250927	2020-04-18	cif/ Adding structures of 4134750 via cif-deposit CGI script.	4134750.cif