Crystallography Open Database

Information card for entry 4114016

Preview

Coordinates	4114016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 Cl3 N12 Ni6 O36 Pr
Calculated formula	C54 H72 Cl3 N12 Ni6 O36.04 Pr
Title of publication	Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties
Authors of publication	Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9476 - 9483
a	12.4276 ± 0.0012 Å
b	12.4276 ± 0.0012 Å
c	12.753 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1705.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178911 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/40.	4114016.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114016.cif
67294	2012-09-20	cif/ Adding structures of 4114016 via cif-deposit CGI script.	4114016.cif