Crystallography Open Database

Information card for entry 7219403

7219402 << 7219403 >> 7219404

Preview

Coordinates	7219403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 Bi2 Cl18 N4 S2
Calculated formula	C46 H52 Bi2 Cl18 N4 S2
SMILES	[Bi]1(Cl)(Cl)([S]=C2N(C=CN2c2c(C)cc(cc2C)C)c2c(cc(cc2C)C)C)[Cl][Bi](Cl)(Cl)([S]=C2N(C=CN2c2c(C)cc(cc2C)C)c2c(cc(cc2C)C)C)[Cl]1.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	12.2653 ± 0.0008 Å
b	17.199 ± 0.0009 Å
c	15.557 ± 0.0007 Å
α	90°
β	99.117 ± 0.005°
γ	90°
Cell volume	3240.3 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.136857
Residual factor for significantly intense reflections	0.119004
Weighted residual factors for all reflections included in the refinement	0.321768
Goodness-of-fit parameter for all reflections included in the refinement	1.0456
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.	7219403.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.	7219403.cif