Crystallography Open Database

Information card for entry 7030405

Preview

Coordinates	7030405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Bi N4 O7
Calculated formula	C12 H19 Bi N4 O7
SMILES	[Bi]12(c3c(cccc3C[N]2(C)C)C[N]1(C)C)(ON(=O)=O)ON(=O)=O.O
Title of publication	Organobismuth compounds with the pincer ligand 2,6-(Me2NCH2)2C6H3: monoorganobismuth(III) carbonate, sulfate, nitrate, and a diorganobismuthenium(III) salt.
Authors of publication	Breunig, Hans J.; Nema, Mihai G.; Silvestru, Cristian; Soran, Albert P.; Varga, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	46
Pages of publication	11277 - 11284
a	9.218 ± 0.006 Å
b	9.495 ± 0.007 Å
c	10.582 ± 0.007 Å
α	80.515 ± 0.012°
β	72.286 ± 0.011°
γ	89.41 ± 0.011°
Cell volume	869.4 ± 1 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7030405.cif
112310	2014-04-30	cif/ Adding structures of 7030405, 7030406, 7030407 via cif-deposit CGI script.	7030405.cif