Crystallography Open Database

Information card for entry 2018610

2018609 << 2018610 >> 2018611

Preview

Coordinates	2018610.cif
Structure factors	2018610.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine- 1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl- 1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido- triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)
Formula	C43 H40 Fe3 N2 O7 Te2
Calculated formula	C43 H40 Fe3 N2 O7 Te2
SMILES	[Te]12[Fe]34([Te]5[Fe]13([Fe]25(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])[N](=C1C(c2cccc3cccc1c23)=[N]4c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl-1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido-triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)
Authors of publication	Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	m320 - m322
a	11.5954 ± 0.0002 Å
b	31.7767 ± 0.0006 Å
c	23.7179 ± 0.0005 Å
α	90°
β	99.58 ± 0.001°
γ	90°
Cell volume	8617.3 ± 0.3 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
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	0.0697
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180855 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86.	2018610.cif 2018610.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018610.cif 2018610.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018610.cif 2018610.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.	2018610.cif 2018610.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2018610.cif 2018610.hkl
69730	2012-12-21	cif/ Adding structures of 2018610 via cif-deposit CGI script.	2018610.cif