Crystallography Open Database

Information card for entry 7219401

7219400 << 7219401 >> 7219402

Preview

Coordinates	7219401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Bi Br3 Cl2 N2 Se
Calculated formula	C28 H38 Bi Br3 Cl2 N2 Se
SMILES	[Bi](Br)(Br)(Br)[Se]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.ClCCl
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	10.7722 ± 0.0002 Å
b	16.3835 ± 0.0003 Å
c	20.0651 ± 0.0004 Å
α	90°
β	103.228 ± 0.002°
γ	90°
Cell volume	3447.26 ± 0.12 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.05927
Residual factor for significantly intense reflections	0.055031
Weighted residual factors for all reflections included in the refinement	0.156362
Goodness-of-fit parameter for all reflections included in the refinement	1.03352
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
180525 (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 7/21/94.	7219401.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.	7219401.cif