Crystallography Open Database

Information card for entry 2023279

2023278 << 2023279 >> 2023280

Preview

Coordinates	2023279.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[1,3-Di-<i>tert</i>-butyl-2,4-bis(<i>tert</i>-butylamino)-1,3,2λ^5^,4λ^5^-diazadiphosphetidine-2,4-diselone-κ^2^<i>Se</i>,<i>Se</i>']diiodidomercury(II) <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Formula	C19 H45 Hg I2 N5 O P2 Se2
Calculated formula	C19 H45 Hg I2 N5 O P2 Se2
Title of publication	Mercury(II) halide complex of cis-[( t BuNH)(Se)P(μ-N t Bu)2P(Se)(NH t Bu)]
Authors of publication	Selby-Karney, Troy; Sampath, Kalpana; Arumugam, Kuppuswamy; Chandrasekaran, Chandru P.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1142 - 1145
a	9.1747 ± 0.0008 Å
b	17.3698 ± 0.0013 Å
c	20.841 ± 0.002 Å
α	90°
β	101.049 ± 0.003°
γ	90°
Cell volume	3259.7 ± 0.5 Å³
Cell temperature	300.15 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	8
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	0.0702
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296772 (current)	2024-12-07	cif/ Updating files of 2023279 Original log message: Adding full bibliography for 2023279.cif.	2023279.cif
295456	2024-10-12	cif/ Adding structures of 2023279 via cif-deposit CGI script.	2023279.cif