Crystallography Open Database

Information card for entry 1518749

Preview

Coordinates	1518749.cif

Structure parameters

Formula	C42 H39 B4 F16 Mo2 N13
Calculated formula	C43 B4 F16 Mo2 N12
SMILES	[Mo]1234[Mo]([n]5cccc6c5[n]3ccc6)([n]3cccc5c3[n]4ccc5)([n]3c4[n]1cccc4ccc3)[n]1c3[n]2cccc3ccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC.N#CC.C(#C)C
Title of publication	Preparation and Crystal Structure of Tetrakis(mu-1,8-naphthyridine)dimolybdenum(II) Tetrafluoroborate.
Authors of publication	Dossing, Anders; Larsen, Sine; van Lelieveld, Alexander; Bruun, Rikke Mattsson
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	230 - 234
a	11.6494 ± 0.0016 Å
b	11.852 ± 0.002 Å
c	18.574 ± 0.002 Å
α	90°
β	102.551 ± 0.011°
γ	90°
Cell volume	2503.2 ± 0.6 Å³
Ambient diffraction temperature	122.4 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 significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1927
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518749.cif
132125	2015-02-20	cif/ Adding structures of 1518749 via cif-deposit CGI script.	1518749.cif