Crystallography Open Database

Information card for entry 7011014

Preview

Coordinates	7011014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Cl Fe N2 O Si2
Calculated formula	C12 H30 Cl Fe N2 O Si2
Title of publication	{FeCl[tBuN(SiMe2)]2O}2: The first multinuclear iron(III) complex exhibiting spin-admixture
Authors of publication	Garry Mund; Raymond J. Batchelor; Rajendra D. Sharma; Colin H. W. Jones; Daniel B. Leznoff
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	2
Pages of publication	136 - 137
a	10.737 ± 0.003 Å
b	15.744 ± 0.003 Å
c	12.523 ± 0.003 Å
α	90°
β	111.967 ± 0.019°
γ	90°
Cell volume	1963.2 ± 0.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.03
Goodness-of-fit parameter for significantly intense reflections	1.6
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191973 (current)	2017-02-10	cif/7/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '.' to '1' for all fully occupied atom sites in entries 7011014, 7027290, 7203894, 7203895, 7204507, 7204508, 7204516, 7204517.	7011014.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7011014.cif
132129	2015-02-20	cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ \| awk '{print $1}' \ \| codid2file \ \| xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. \| insert\ name\ here \| name\ here \| Insert\ the\ systematic\ name\ here \| systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms'	7011014.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011014.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011014.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011014.cif