Crystallography Open Database

Information card for entry 1520719

1520718 << 1520719 >> 1520720

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Coordinates	1520719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cl6 N2 Se2
Calculated formula	C18 Cl6 N2 Se2
Title of publication	Crystal Structures of Phenyltrimethylammonium Salts of Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6], Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
Authors of publication	Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	435 - 440
a	9.086 ± 0.002 Å
b	10.306 ± 0.002 Å
c	14.11 ± 0.003 Å
α	90°
β	96.89 ± 0.03°
γ	90°
Cell volume	1311.7 ± 0.5 Å³
Ambient diffraction temperature	114 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.222
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520719.cif
139850	2015-07-01	cif/ Adding structures of 1520719 via cif-deposit CGI script.	1520719.cif