Crystallography Open Database

Information card for entry 4308407

Preview

Coordinates	4308407.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
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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