Crystallography Open Database

Information card for entry 7001201

Preview

Coordinates	7001201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H158 N8 Ni8 O23
Calculated formula	C122 H118 N8 Ni8 O21
Title of publication	Molecular and supramolecular Ni(II) wheels from α-benzoin oxime
Authors of publication	Karotsis, Georgios; Stoumpos, Constantinos; Collins, Anna; White, Fraser; Parsons, Simon; Slawin, Alexandra M. Z.; Papaefstathiou, Giannis S.; Brechin, Euan K.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	18
Pages of publication	3388 - 3390
a	22.447 ± 0.0006 Å
b	55.158 ± 0.0013 Å
c	21.201 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	26249.6 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179709 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/12.	7001201.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001201.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001201.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001201.cif