Crystallography Open Database

Information card for entry 4133316

Preview

Coordinates	4133316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H244 Cl4 Co4 F72 N76 O16 P12
Calculated formula	C120 H100 Cl4 Co4 F72 N28 O16 P12
Title of publication	Visualizing Kinetically Robust Co<sup>III</sup><sub>4</sub>L<sub>6</sub> Assemblies in Vivo: SPECT Imaging of the Encapsulated [<sup>99m</sup>Tc]TcO<sub>4</sub><sup>-</sup> Anion.
Authors of publication	Burke, Benjamin P.; Grantham, William; Burke, Michael J.; Nichol, Gary S.; Roberts, David; Renard, Isaline; Hargreaves, Rebecca; Cawthorne, Christopher; Archibald, Stephen J.; Lusby, Paul J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	49
Pages of publication	16877 - 16881
a	21.728 Å
b	21.728 Å
c	21.728 Å
α	90°
β	90°
γ	90°
Cell volume	10257.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.1452
Residual factor for significantly intense reflections	0.1451
Weighted residual factors for significantly intense reflections	0.3653
Weighted residual factors for all reflections included in the refinement	0.3656
Goodness-of-fit parameter for all reflections included in the refinement	1.976
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243137 (current)	2019-11-26	cif/ Adding structures of 4133316 via cif-deposit CGI script.	4133316.cif