Crystallography Open Database

Information card for entry 2205094

2205093 << 2205094 >> 2205095

Preview

Coordinates	2205094.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(p-toluidinium) tetrachlorozincate(II)
Formula	C14 H20 Cl4 N2 Zn
Calculated formula	C14 H20 Cl4 N2 Zn
SMILES	[NH3+]c1ccc(cc1)C.[NH3+]c1ccc(cc1)C.[Zn](Cl)(Cl)([Cl-])[Cl-]
Title of publication	Bis(p-toluidinium) tetrachlorozincate(II)
Authors of publication	Rademeyer, Melanie
Journal of publication	Acta Crystallographica, Section E
Year of publication	2005
Journal volume	61
Journal issue	2
Pages of publication	m304 - m306
a	7.119 ± 0.008 Å
b	11.532 ± 0.006 Å
c	12.49 ± 0.007 Å
α	107.14 ± 0.05°
β	95.43 ± 0.07°
γ	92.03 ± 0.06°
Cell volume	973.3 ± 1.3 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	0.895
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	1100133
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287519 (current)	2023-11-10	cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46	2205094.cif
277834	2022-09-14	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	2205094.cif
176774	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20.	2205094.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2205094.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2205094.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2205094.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2205094.cif
326	2008-04-03	Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site.	2205094.cif