Crystallography Open Database

Information card for entry 4114019

Preview

Coordinates	4114019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H112 B3 F12 Li2 N16 Na3 Ni8 O37.5
Calculated formula	C78.41 H89 B3.02 F12.0803 Li2 N16 Na3 Ni8 O37.16
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	16.764 ± 0.002 Å
b	20.095 ± 0.002 Å
c	20.617 ± 0.002 Å
α	81.121 ± 0.002°
β	66.353 ± 0.002°
γ	67.274 ± 0.002°
Cell volume	5868.2 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1744
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114019.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114019.cif
67297	2012-09-20	cif/ Adding structures of 4114019 via cif-deposit CGI script.	4114019.cif