Crystallography Open Database

Information card for entry 7012980

Preview

Coordinates	7012980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Hg N2 P4 Se4
Calculated formula	C24 H56 Hg N2 P4 Se4
SMILES	[Hg]12([Se]=P(N=P([Se]1)(C(C)C)C(C)C)(C(C)C)C(C)C)[Se]=P(N=P([Se]2)(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Organomercury-based imino-bis(diisopropylphosphine chalcogenide) complexes: synthesis and characterisation of novel hybrid “single-source precursors” for mercury chalcogenide solid-state materials
Authors of publication	David J. Crouch; Paul M. Hatton; Madeleine Helliwell; Paul O'Brien; James Raftery
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	13
Pages of publication	2761 - 2766
a	9.3488 ± 0.0011 Å
b	12.9314 ± 0.0015 Å
c	16.2877 ± 0.0019 Å
α	79.11 ± 0.002°
β	77.862 ± 0.002°
γ	70.473 ± 0.002°
Cell volume	1799.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179833 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/29.	7012980.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012980.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012980.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7012980.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012980.cif