Crystallography Open Database

Information card for entry 7026409

Preview

Coordinates	7026409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 Cl N2 O4 Re
Calculated formula	C15 H10 Cl N2 O4 Re
SMILES	Cl[Re]1(C#[O])([n]2ccccc2C=[N]1c1ccc(O)cc1)(C#[O])C#[O]
Title of publication	Rhenium(I) and platinum(II) complexes with diimine ligands bearing acidic phenol substituents: hydrogen-bonding, acid-base chemistry and optical properties.
Authors of publication	Liu, Wei; Heinze, Katja
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	40
Pages of publication	9554 - 9564
a	12.4274 ± 0.0008 Å
b	9.1175 ± 0.0006 Å
c	14.033 ± 0.0009 Å
α	90°
β	100.057 ± 0.004°
γ	90°
Cell volume	1565.6 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179970 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/64.	7026409.cif
93491	2014-01-13	cif/ Adding structures of 7026409, 7026410, 7026411 via cif-deposit CGI script.	7026409.cif