Crystallography Open Database

Information card for entry 7219406

7219405 << 7219406 >> 7219407

Preview

Coordinates	7219406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Bi2 Br6 N4 Se2
Calculated formula	C42 H48 Bi2 Br6 N4 Se2
SMILES	[Bi]1(Br)([Br][Bi](Br)([Br]1)(Br)[Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Br)[Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(C)cc1C)C
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	9.5278 ± 0.0002 Å
b	16.1998 ± 0.0004 Å
c	16.2869 ± 0.0004 Å
α	90°
β	98.199 ± 0.002°
γ	90°
Cell volume	2488.16 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0406
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	7219406.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.	7219406.cif