Crystallography Open Database

Information card for entry 7030980

Preview

Coordinates	7030980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46.5 B N7 O0.25 S6
Calculated formula	C25 H46 B N7 O0.249 S6
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	12.203 ± 0.0004 Å
b	12.2363 ± 0.0004 Å
c	13.4489 ± 0.0005 Å
α	69.855 ± 0.001°
β	65.23 ± 0.001°
γ	69.921 ± 0.001°
Cell volume	1664.57 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7030980.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.	7030980.cif
113969	2014-05-19	cif/ Adding structures of 7030980 via cif-deposit CGI script.	7030980.cif