Crystallography Open Database

Information card for entry 4076353

Preview

Coordinates	4076353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 As2 Bi2 Cl2 N4 O5
Calculated formula	C25 H40 As2 Bi2 Cl2 N4 O5
SMILES	[Bi]123(O[As]4O[Bi]56(O[As](O1)O4)[N](Cc1c5c(C[N]6(C)C)ccc1)(C)C)[N](Cc1c3c(C[N]2(C)C)ccc1)(C)C.ClCCl
Title of publication	Reactivity of NCN-Chelated (NCN = C6H3-2,6-(CH2NMe2)2) Antimony(III) and Bismuth(III) Oxides toward Oxides of Arsenic
Authors of publication	Svoboda, Tomáš; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Proft, Frank De; Dostál, Libor
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	1725
a	10.2801 ± 0.0006 Å
b	10.393 ± 0.0004 Å
c	18.4839 ± 0.0014 Å
α	89.888 ± 0.005°
β	88.76 ± 0.006°
γ	61.948 ± 0.004°
Cell volume	1742.35 ± 0.19 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0569
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
178652 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/63.	4076353.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076353.cif
51933	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076353 via cif-deposit CGI script.	4076353.cif