Crystallography Open Database

Information card for entry 4300994

Preview

Coordinates	4300994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H46 Mo N18 Ni2 O3
Calculated formula	C18 H46 Mo N18 Ni2 O3
SMILES	[Mo](C#[N][Ni]12([OH2])([NH2]CC[NH2]1)[NH2]CC[NH2]2)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Ni]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	11.5576 ± 0.0004 Å
b	14.9065 ± 0.0006 Å
c	18.7669 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3233.2 ± 0.2 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	4308407
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.	4300994.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4300994.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300994.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.	4300994.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/'	4300994.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300994.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.	4300994.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)	4300994.cif