Crystallography Open Database

Information card for entry 1551368

Preview

Coordinates	1551368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C188 H168 Co4 F24 N34 O24 S8
Calculated formula	C171.5 H143.997 Co4 F22.5 N28 O22.5 S7.5
Title of publication	Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
Authors of publication	Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke
Journal of publication	Nature Chemistry
Year of publication	2012
Journal volume	4
Pages of publication	751 - 756
a	24.7578 ± 0.0002 Å
b	24.7578 ± 0.0002 Å
c	41.4172 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	21985.5 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.2835
Weighted residual factors for all reflections included in the refinement	0.3019
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287876 (current)	2023-11-30	cif/ Removed multiple data items with misspelt data names since the same information is already conveyed using proper data items.	1551368.cif
215886	2019-06-12	cif/ Adding structures of 1551368 via cif-deposit CGI script.	1551368.cif