Crystallography Open Database

Information card for entry 7004726

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Coordinates	7004726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Ag B N4 P S2
Calculated formula	C26 H27 Ag B N4 P S2
SMILES	[Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]=C2N([BH2]N3C(=[S]1)N(C=C3)C)C=CN2C
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	12.983 ± 0.003 Å
b	13.579 ± 0.003 Å
c	15.757 ± 0.004 Å
α	89.743 ± 0.004°
β	83.854 ± 0.004°
γ	86.297 ± 0.004°
Cell volume	2756.2 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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.	7004726.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004726.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004726.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.	7004726.cif