Crystallography Open Database

Information card for entry 7027027

Preview

Coordinates	7027027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Al3 Cl12 N10 Pr
Calculated formula	C20 H30 Al3 Cl12 N10 Pr
SMILES	[Pr]([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[Al](Cl)(Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-].N#CC
Title of publication	Syntheses and structures of some homoleptic acetonitrile lanthanoid(III) complexes
Authors of publication	Deacon, Glen B.; Görtler, Bernd; Junk, Peter C.; Lork, Enno; Mews, Rüdiger; Petersen, Jan; Zemva, Boris
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	22
Pages of publication	3887
a	13.097 ± 0.001 Å
b	13.251 ± 0.001 Å
c	14.207 ± 0.001 Å
α	90°
β	108.49°
γ	90°
Cell volume	2338.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
179976 (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 7/02/70.	7027027.cif
94918	2014-01-28	cif/ Adding structures of 7027025, 7027026, 7027027, 7027028 via cif-deposit CGI script.	7027027.cif