Crystallography Open Database

Information card for entry 1548652

Preview

Coordinates	1548652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C273 H263.5 B60.5 Co6 F19.5 N62.5 O20.5 S6.5
Calculated formula	C265.001 H263.5 B66 Co6 F12.003 N62.5 O13.003 S4.001
Title of publication	Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.
Authors of publication	Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	7
Pages of publication	1925 - 1930
a	25.0303 ± 0.0004 Å
b	26.7592 ± 0.0005 Å
c	34.5514 ± 0.0007 Å
α	68.113 ± 0.0017°
β	88.8092 ± 0.0017°
γ	66.5154 ± 0.0014°
Cell volume	19472.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1399
Residual factor for significantly intense reflections	0.1179
Weighted residual factors for significantly intense reflections	0.3293
Weighted residual factors for all reflections included in the refinement	0.3464
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
228787 (current)	2019-11-17	cif/ Updating files of 1548651, 1548652 Original log message: Adding full bibliography for 1548651--1548652.cif.	1548652.cif
205055	2018-01-11	cif/ Adding structures of 1548651, 1548652 via cif-deposit CGI script.	1548652.cif