Crystallography Open Database

Information card for entry 7219405

7219404 << 7219405 >> 7219406

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Structure parameters

Formula	C46 H56 Bi2 Cl14 N4 Se2
Calculated formula	C46 H56 Bi2 Cl14 N4 Se2
SMILES	[Bi]1([Se]=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(Cl)(Cl)[Cl][Bi]([Cl]1)([Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(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	15.9721 ± 0.0006 Å
b	10.8271 ± 0.0004 Å
c	18.3916 ± 0.0006 Å
α	90°
β	97.51 ± 0.003°
γ	90°
Cell volume	3153.2 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.06347
Residual factor for significantly intense reflections	0.053101
Weighted residual factors for all reflections included in the refinement	0.161189
Goodness-of-fit parameter for all reflections included in the refinement	1.0407
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219405.cif
180525	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.	7219405.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.	7219405.cif