Crystallography Open Database

Information card for entry 7035175

Preview

Coordinates	7035175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Br4 Mn N6 O5 Re
Calculated formula	C34 H32 Br4 Mn N6 O5 Re
SMILES	[Re](Br)(Br)(Br)(Br)(N=O)[n]1cc(C2=[O][Mn]3([n]4c(ccc5ccc6ccc([n]3c6c45)C)C)([OH2])(O2)[OH2])ccc1.n1c(ccc2ccc3ccc(nc3c12)C)C
Title of publication	The crystal structure and magnetic properties of 3-pyridinecarboxylate-bridged Re(ii)M(ii) complexes (M = Cu, Ni, Co and Mn).
Authors of publication	Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Lloret, Francesc; Julve, Miguel; Kremer, Carlos
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	25
Pages of publication	11636 - 11648
a	10.96409 ± 0.00015 Å
b	19.3015 ± 0.0003 Å
c	18.0987 ± 0.0003 Å
α	90°
β	96.1198 ± 0.0013°
γ	90°
Cell volume	3808.28 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0276
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
143529 (current)	2015-07-11	cif/ Updating files of 7035172, 7035173, 7035174, 7035175, 7035176 Original log message: Adding full bibliography for 7035172--7035176.cif.	7035175.cif
136643	2015-05-16	cif/ Adding structures of 7035172, 7035173, 7035174, 7035175, 7035176 via cif-deposit CGI script.	7035175.cif