Crystallography Open Database

Information card for entry 7023650

Preview

Coordinates	7023650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H41 Br4 N3 O Re
Calculated formula	C21 H41 Br4 N3 O Re
SMILES	[Re](Br)(Br)(Br)(Br)([n]1ccccc1)N=O.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Synthesis, crystal structure and magnetic properties of the Re(ii) complexes NBu4[Re(NO)Br4(L)] (L = pyridine and diazine type ligands).
Authors of publication	Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Faccio, Ricardo; Lloret, Francesc; Julve, Miguel; Kremer, Carlos
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	43
Pages of publication	15361 - 15371
a	8.894 ± 0.002 Å
b	10.831 ± 0.003 Å
c	16.488 ± 0.005 Å
α	96.111 ± 0.009°
β	91.754 ± 0.009°
γ	110.671 ± 0.009°
Cell volume	1473.6 ± 0.7 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
179941 (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 7/02/36.	7023650.cif
90596	2013-11-18	cif/ Adding structures of 7023650, 7023651, 7023652, 7023653 via cif-deposit CGI script.	7023650.cif