Crystallography Open Database

Information card for entry 7030981

Preview

Coordinates	7030981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 B2 Bi N13 O4 S12
Calculated formula	C19 H24 B2 Bi N13 O4 S12
Title of publication	Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.
Authors of publication	Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	28
Pages of publication	10956 - 10968
a	14.0818 ± 0.0011 Å
b	12.7834 ± 0.0011 Å
c	22.436 ± 0.003 Å
α	90°
β	97.836 ± 0.009°
γ	90°
Cell volume	4001.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180015 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/09.	7030981.cif
119482	2014-07-07	cif/ Updating files of 7030979, 7030980, 7030981, 7030982, 7030983, 7030984 Original log message: Adding full bibliography for 7030979--7030984.cif.	7030981.cif
113970	2014-05-19	cif/ Adding structures of 7030981 via cif-deposit CGI script.	7030981.cif