Crystallography Open Database

Information card for entry 7219399

7219398 << 7219399 >> 7219400

Preview

Coordinates	7219399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Bi Br3 Cl3 N2 S
Calculated formula	C28 H37 Bi Br3 Cl3 N2 S
SMILES	[Bi](Br)(Br)(Br)[S]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C.ClC(Cl)Cl
Title of publication	Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers
Authors of publication	Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar
Journal of publication	RSC Adv.
Year of publication	2015
a	10.0168 ± 0.0004 Å
b	12.5839 ± 0.0006 Å
c	15.6771 ± 0.0007 Å
α	73.883 ± 0.004°
β	76.522 ± 0.004°
γ	74.563 ± 0.004°
Cell volume	1802.71 ± 0.15 Å³
Cell temperature	156 ± 9 K
Ambient diffraction temperature	156 ± 9 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	0.060451
Residual factor for significantly intense reflections	0.059308
Weighted residual factors for all reflections included in the refinement	0.16359
Goodness-of-fit parameter for all reflections included in the refinement	1.02933
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219399.cif
130130	2015-01-27	cif/ Adding structures of 7219396, 7219397, 7219398, 7219399, 7219400, 7219401, 7219402, 7219403, 7219404, 7219405, 7219406 via cif-deposit CGI script.	7219399.cif