Crystallography Open Database

Information card for entry 7219404

7219403 << 7219404 >> 7219405

Preview

Coordinates	7219404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 Bi2 Br6 Cl12 N4 S2
Calculated formula	C46 H50 Bi2 Br6 Cl12 N4 S2
SMILES	C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)=[S][Bi]1(Br)(Br)[Br][Bi]([S]=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(Br)([Br]1)Br.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(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	9.961 ± 0.0005 Å
b	13.3493 ± 0.0006 Å
c	14.3207 ± 0.0007 Å
α	111.257 ± 0.005°
β	103.339 ± 0.004°
γ	97.547 ± 0.004°
Cell volume	1677.59 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.061477
Residual factor for significantly intense reflections	0.060488
Weighted residual factors for all reflections included in the refinement	0.165699
Goodness-of-fit parameter for all reflections included in the refinement	1.0313
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.	7219404.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.	7219404.cif