Crystallography Open Database

Information card for entry 4300992

Preview

Coordinates	4300992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H46 Mn2 N18 O3 W
Calculated formula	C18 H46 Mn2 N18 O3 W
SMILES	[W](C#[N][Mn]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2])(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Mn]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O
Title of publication	Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)
Authors of publication	Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	352 - 358
a	11.565 ± 0.0002 Å
b	15.082 ± 0.0002 Å
c	18.861 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3289.8 ± 0.09 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Duplicate of	4308405
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210264 (current)	2018-08-31	cif/4/30/ Updating bibliography in entries 4300992-4300996, 4308405-4308409. Marking entries 4300992-4300996 as duplicates of entries 4308405-4308409.	4300992.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4300992.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300992.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.	4300992.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300992.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300992.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4300992.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300992.cif