Crystallography Open Database

Information card for entry 7114328

Preview

Coordinates	7114328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H83 Cl F12 N8 Ni4 O16 P2
Calculated formula	C44 H75 Cl F12 N8 Ni4 O16 P2
Title of publication	A tetranuclear nickel(ii) complex assembled from an asymmetric compartmental ligand and bearing an intramolecular [H3O2]â€“ bridge
Authors of publication	Adams, Harry; Clunas, Scott; Fenton, David E.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	5
Pages of publication	418
a	11.337 ± 0.006 Å
b	22.608 ± 0.011 Å
c	11.892 ± 0.006 Å
α	90°
β	90.706 ± 0.009°
γ	90°
Cell volume	3048 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1799
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.2138
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
180257 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/43.	7114328.cif
116688	2014-06-13	cif/ Adding structures of 7114328 via cif-deposit CGI script.	7114328.cif