Crystallography Open Database

Information card for entry 7004728

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Coordinates	7004728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 B Cu N2 P S4
Calculated formula	C24 H25 B Cu N2 P S4
SMILES	[Cu]12([S]=C3SCCN3[BH]([H]2)N2C(=[S]1)SCC2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Complexes of copper(i) and silver(i) with bis(methimazolyl)borate and dihydrobis(2-mercaptothiazolyl)borate ligands
Authors of publication	Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Panahi Mehr, Mohammad; Russo, Luca
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	46
Pages of publication	6641 - 6646
a	8.9121 ± 0.0015 Å
b	15.3215 ± 0.0009 Å
c	37.188 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	5077.9 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179751 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/47.	7004728.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004728.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004728.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004728.cif