Crystallography Open Database

Information card for entry 2226208

Preview

Coordinates	2226208.cif
Structure factors	2226208.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1-)- 2κ^2^<i>N</i>,<i>N</i>']-μ~2~-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>- chlorido-2κ<i>Cl</i>-bis(1,2-dimethoxyethane- 1κ^2^<i>O</i>,<i>O</i>')iron(II)lithium
Formula	C37 H61 Cl2 Fe Li N2 O4
Calculated formula	C37 H61 Cl2 Fe Li N2 O4
SMILES	[Fe]1(Cl)([Cl][Li]23([O](C)CC[O]2C)[O](C)CC[O]3C)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C
Title of publication	[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1‒)-2κ^2^<i>N</i>,<i>N</i>']-μ~2~-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>-chlorido-2κ<i>Cl</i>-bis(1,2-dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')iron(II)lithium
Authors of publication	Grubba, Rafał; Ponikiewski, Łukasz; Tomorowicz, Łukasz; Pikies, Jerzy
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	6
Pages of publication	m707
a	10.1467 ± 0.0005 Å
b	19.8186 ± 0.001 Å
c	20.6289 ± 0.0011 Å
α	90°
β	104.962 ± 0.004°
γ	90°
Cell volume	4007.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181183 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/62.	2226208.cif 2226208.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2226208.cif 2226208.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2226208.cif 2226208.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2226208.cif 2226208.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2226208.cif 2226208.hkl
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2226208.cif 2226208.hkl
1452	2010-10-08	hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt.	2226208.cif 2226208.hkl
1284	2010-08-08	cif/2/ Adding the processed IUCr 2010 June and July CIFs.	2226208.cif