Crystallography Open Database

Information card for entry 4308409

Preview

Coordinates	4308409.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
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
210264 (current)	2018-09-01	cif/4/30/ Updating bibliography in entries 4300992-4300996, 4308405-4308409. Marking entries 4300992-4300996 as duplicates of entries 4308405-4308409.	4308409.cif
179122	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/84.	4308409.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308409.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308409.cif
32063	2012-01-26	cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct.	4308409.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308409.cif