Crystallography Open Database

Information card for entry 7009322

Preview

Coordinates	7009322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H50 N2 O12 Re2
Calculated formula	C51 H50 N2 O12 Re2
SMILES	[Re]1([N](c2ccc(OCCCCCCCC)cc2)=Cc2c1cc(OC(=O)c1cc3[Re]([N](=Cc3cc1)c1ccc(OCCCCCCCC)cc1)(C#[O])(C#[O])(C#[O])C#[O])cc2)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of dinuclear complexes of rhenium(I) as potential metallomesogens
Authors of publication	Guillevic, Marie-Andrée; Light, Mark E.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Bruce, Duncan W.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	9
Pages of publication	1437
a	9.1822 ± 0.0002 Å
b	13.5268 ± 0.0002 Å
c	21.47 ± 0.0005 Å
α	74.1341 ± 0.0013°
β	86.9295 ± 0.0011°
γ	74.3192 ± 0.0013°
Cell volume	2469.05 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
179797 (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 7/00/93.	7009322.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7009322.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009322.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009322.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009322.cif