Crystallography Open Database

Information card for entry 4300996

Preview

Coordinates	4300996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H44 Mo N16 Ni2 O6
Calculated formula	C16 H44 Mo N16 Ni2 O6
SMILES	C(#N)[Mo](C#N)(C#N)(C#[N][Ni]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2])(C#N)(C#N)(C#N)C#[N][Ni]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2].O.O.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	17.0725 ± 0.0004 Å
b	11.0054 ± 0.0003 Å
c	17.5905 ± 0.0005 Å
α	90°
β	108.695 ± 0.001°
γ	90°
Cell volume	3130.69 ± 0.14 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Duplicate of	4308409
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.	4300996.cif
179047	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/09.	4300996.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300996.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.	4300996.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4300996.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/'	4300996.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300996.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.	4300996.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)	4300996.cif