Crystallography Open Database

Information card for entry 2236671

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Structure parameters

Chemical name	(μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^-<i>O</i>(μ~2~-2-amino-1- methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')- hexacarbonyldirhenium(I)
Formula	C12 H12 N3 O9 Re2
Calculated formula	C12 H12 N3 O9 Re2
SMILES	[Re]12(C#[O])(C#[O])([O]([Re](C#[O])(C#[O])(C#[O])([O]1C)N1C(=[NH]2)N(C)CC1=O)C)C#[O]
Title of publication	(μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^<i>O</i>-(μ~2~-2-amino-1-methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')-hexacarbonyldirhenium(I)
Authors of publication	Schutte, M.; Visser, H. G.; Roodt, A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	m1359 - m1360
a	24.066 ± 0.002 Å
b	10.0715 ± 0.0008 Å
c	14.5969 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3538 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.03
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181288 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/66.	2236671.cif 2236671.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2236671.cif 2236671.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236671.cif 2236671.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.	2236671.cif 2236671.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.	2236671.cif 2236671.hkl
70266	2012-12-21	cif/ Adding structures of 2236671 via cif-deposit CGI script.	2236671.cif