Crystallography Open Database

Information card for entry 4130631

Preview

Coordinates	4130631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H132 Co4 F72 N24 P12
Calculated formula	C168 H132 Co4 F72.0002 N24 P12.5
Title of publication	Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.
Authors of publication	Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	29
Pages of publication	9308 - 9315
a	20.5996 ± 0.0002 Å
b	20.5996 ± 0.0002 Å
c	195.2193 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	71741.6 ± 1.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2689
Weighted residual factors for all reflections included in the refinement	0.2877
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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