Crystallography Open Database

Information card for entry 1551824

Preview

Coordinates	1551824.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	diaquodinitrotetra{tris[3-(3-pyridyl)benzoyl]cyclotriguaiacylene} tetrapalladium(II) nitrate dimethylsulfoxide solvate
Formula	C252 H220 N20 O68 Pd4 S6
Calculated formula	C252 H216 N14 O50 Pd4 S6
Title of publication	Stellated polyhedral assembly of a topologically complicated Pd4L4 'Solomon cube'
Authors of publication	Tanya K. Ronson; Julie Fisher; Lindsay P. Harding; Pierre J. Rizkallah; John E. Warren; Michaele J. Hardie
Journal of publication	Nature Chemistry
Year of publication	2009
Journal volume	1
Pages of publication	212 - 216
a	46.241 ± 0.002 Å
b	46.241 ± 0.002 Å
c	46.241 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	98874 ± 7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :2
Hall space group symbol	-P 4a 2bc 3
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.1189
Weighted residual factors for significantly intense reflections	0.2772
Weighted residual factors for all reflections included in the refinement	0.2839
Goodness-of-fit parameter for all reflections included in the refinement	1.92
Diffraction radiation wavelength	0.6939 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216445 (current)	2019-06-21	cif/ Adding structures of 1551824 via cif-deposit CGI script.	1551824.cif