Crystallography Open Database

Information card for entry 1551366

Preview

Coordinates	1551366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C422 H343.5 Cl Co10 F114 N76 O46 P7.5 S23
Calculated formula	C403.5 H343.5 Cl Co10 F58.5 N67 O9 P7.5 S7.51
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	70.5877 ± 0.0007 Å
b	79.1494 ± 0.001 Å
c	80.8163 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	451519 ± 9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.3405
Residual factor for significantly intense reflections	0.2186
Weighted residual factors for significantly intense reflections	0.5124
Weighted residual factors for all reflections included in the refinement	0.5616
Goodness-of-fit parameter for all reflections included in the refinement	1.736
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
215884 (current)	2019-06-12	cif/ Adding structures of 1551366 via cif-deposit CGI script.	1551366.cif