Crystallography Open Database

Information card for entry 7219397

7219396 << 7219397 >> 7219398

Preview

Coordinates	7219397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 N2 Te
Calculated formula	C27 H36 N2 Te
SMILES	[Te]=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)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	19.1643 ± 0.0005 Å
b	7.15496 ± 0.00017 Å
c	20.1107 ± 0.0008 Å
α	90°
β	106.852 ± 0.004°
γ	90°
Cell volume	2639.16 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.044398
Residual factor for significantly intense reflections	0.035393
Weighted residual factors for all reflections included in the refinement	0.095047
Goodness-of-fit parameter for all reflections included in the refinement	1.04016
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
180524 (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 7/21/93.	7219397.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.	7219397.cif