Crystallography Open Database

Information card for entry 4114018

Preview

Coordinates	4114018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H125 B2 F8 N18 Na5 Ni9 O42
Calculated formula	C85.02 H90 B2 F8 N18 Na5 Ni9 O42.04
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	16.9608 ± 0.001 Å
b	16.9608 ± 0.001 Å
c	24.7593 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	6168.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1751
Weighted residual factors for all reflections included in the refinement	0.2065
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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.	4114018.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114018.cif
67296	2012-09-20	cif/ Adding structures of 4114018 via cif-deposit CGI script.	4114018.cif