Crystallography
Translations : crystallography ; cristallographie
Domain : chemistry
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Structure
Data language
Datatype
Access
Data acquisition method
Audience
Redetermination of the crystal structure of tetrammineplatinum(II) dichloride – A microporous hydrogen-bonded 3D network exhibiting a temperature-dependent order-disorder phase transition
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : 2017
The title compound [Pt(NH3)4]Cl2 (1), prepared by reaction of (NH4)2[PtCl4] with an excess of NH3 in aqueous solution, was crystallized from water and its structure redetermined by single-crystal X-ray diffraction at four different temperatures in the range from 273 K down to 100 K. 1 is composed of ...
Heterodinuclear Diphosphane-Bridged Iron–Platinum Diyne Complexes as Metalloligands for the Assembly of Polymetallic Systems (Fe, Pt, Co)
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : from 2012 to 2018
Treatment of [(OC)3Fe(μ-C=O)(µ-dppm)Pt(PPh3)] (1a) (dppm=Ph2PCH2PPh2) with 1,7-octadiyne affords the isomeric dimetallacyclopentenones [(OC)2Fe(µ-dppm)(µ-C(=O)C{(CH2)4C≡CH}=CH)Pt(PPh3)] (2a) and [(OC)2Fe(µ-dppm)(µ-C(=O)C(H)=C{(CH2)4C≡CH})Pt(PPh3)] (2a′). In a similar manner, the reaction with ...
Crystal structure of di-[mu]-iodido-bis[bis(acetonitrile-[kappa]N)copper(I)]
The title compound, [Cu2I2(CH3CN)4], exhibits a centrosymmetric Cu2I2 core [Cu...Cu distance = 2.7482 (11) Å], the CuI atoms of which are further coordinated by four molecules of acetonitrile. The CuI atom has an overall distorted tetrahedral coordination environment evidenced by L-Cu-L angles (L ...
Crystal structure of di-[mu]-iodido-bis[(dimethyl sulfoxide-[kappa]O)(triphenylphosphane-[kappa]P)copper(I)]
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : 2010
The centrosymmetric dinuclear title compound, [Cu2I2(C2H6OS)2(C18H15P)2], represents the first example of a CuI complex ligated by an O-bound dimethyl sulfoxide ligand. In the crystal, the two tetrahedrally coordinated CuI atoms are bridged by two [mu]2-iodido ligands in an almost symmetrical ...
Crystal structure of tricarbonyl([mu]-diphenylphosphido-[kappa]2P:P)(methyldiphenylsilyl-[kappa]Si)bis(triphenylphosphane-[kappa]P)iron(II)platinum(0)(Fe-Pt)
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : 2014
The title compound, [FePt(C12H10P)(C13H13Si)(C18H15P)2(CO)3]·0.5CH2Cl2, represents an example of a phosphido-bridged heterobimetallic silyl complex; these are interesting precursors for the coordination and activation of small unsaturated organic molecules. The [mu]2-PPh2 ligand spans the iron and ...
Reactivity of CuI and CuBr toward Dialkyl Sulfides RSR: From Discrete Molecular Cu4I4S4 and Cu8I8S6 Clusters to Luminescent Copper(I) Coordination Polymers
Dataset
Collected date : from 2010 to 2014
The CuX salts (X = I, Br) react with SR2 to form molecular clusters of the types [(R2S)4(Cu4I4)] and [(R2S)6(Cu8I8)] or to give 1D polymers and 2D metal−organic frameworks. The cluster nuclearity and connectivity as well as the dimensionality of these compounds depend on the steric demand of SR2, ...
Diethyl 2,2'-(1,4-phenylenedioxy)diacetate
In the title compound, C14H18O6, a crystallographic center at the centroid of the aromatic ring generates the complete molecule which is planar within 0.085 (1) Å for the non-H atoms. In the crystal, weak C—H⋯O and C—H⋯π interactions link the molecules.
Bis{(4-methylthio)phenylthio}methane as assembling ligand for the construction of Cu(I) and Hg(II) coordination polymers. Crystal structures and topological (AIM) analysis of the bonding
Dataset
Collected date : 2015
The novel 1D coordination polymer (CP) [{Cu(μ2-Br)2Cu}(μ-L2)2] CP2 has been obtained by reaction of the tetrakisthioether p-MeSC6H4SCH2SC6H4SMe-p (L2) with CuBr in a 1:2 metal-to ligand ratio. In contrast to the previously described CP [{Cu(μ2-Br)2Cu}(μ-L1)2] CP1 obtained by reaction of the ...
2-(2,2-Dibromoethenyl)thiophene
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : from 2008 to 2009
The title compound, C6H4Br2S, represents a versatile building block for the preparation of [pi]-conjugated redox-active thienyl oligomers and metal-mediated cross-coupling reactions. This is due to the presence of an electrochemically active thienyl heterocycle and a reactive dibromovinyl ...
4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane
In the title compound, C20H16Br4, both vinylic substituents were introduced by a Corey-Fuchs reaction using 4,12-diformyl[2.2]paracyclophane as starting material. The title compound may be used as a valuable precursor for the synthesis of diethynyl[2.2]paracyclophane. The title molecule is ...
4,4-Bis(4-methylphenylsulfanyl)-1,1-diphenyl-2-azabuta-1,3-diene
In the title compound, C29H25NS2, both the Cl atoms of the azadiene precursor 4,4-dichloro-1,1-diphenyl-2-azabuta-1,3-diene are replaced by two vicinal S-p-tolyl substituents attached to the terminal C atom of a [pi]-conjugated 2-azabutadiene array. The azadiene chain is planar to within 0.01 Å. ...
(2,2-Dichlorovinyl)ferrocene
The title compound, [Fe(C5H5)(C7H5Cl2)], represents a versatile building block for the preparation of [pi]-conjugated redox-active compounds or polymetallic organometallic systems due to the presence of the electrochemically active ferrocenyl unit. It is therefore a potential starting material for ...
Crystal structure of 4,4-dibromo-1-(3,4-dimethoxyphenyl)-2-azabuta-1,3-diene-1-carbonitrile
The title compound, C12H10Br2N2O2, represents an example of a planar π-conjugated 2-azabutadiene molecule, which is both an interesting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric molecular parameters are ...
Two-dimensional polymeric [Hg4([mu]2-I)6I2([mu]2-C4S6)]n
Dataset
Collected date : from 2008 to 2009
The title compound, poly[([mu]2-2H,5H-1,3-dithiolo[4,5-d][1,3]dithiole-2,5-dithione)hexa-[mu]2-iodido-diiodidotetramercury(II)], [Hg4I8(C4S6)]n, represents the first example of a coordination polymer assembled by the [alpha],[alpha]-C4S6 dithione ligand. The HgII ions are four-coordinated in a ...
[μ-Bis(diphenylphosphanyl)methane]-tricarbonyl(μ-p-toluenesulfonylmethylisocyanato)(triphenylphosphane)iron-platinum(Fe-Pt)
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : from 2011 to 2012
The title compound, [FePt(C9H9NO2S)(C18H15P)(C25H22P2)(CO)3], represents a rare example of an isonitrile-bridged heterobimetallic complex (here Pt and Fe) and is an interesting precursor for the preparation of heterodinuclear [mu]-aminocarbyne complexes, since the basic imine-type N atom of the ...