A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes (original) (raw)
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Inorganica Chimica Acta, 2008
The three-dimensional Cu(II) coordination polymers [Cu(isonicotinate) 2 ][EtOH] (1) and Cu(nicotinate) 2 (2) were synthesized by treating copper nitrate with isonicotinic acid and nicotinic acid under hydro(solvo)thermal conditions, respectively. X-ray single-crystal structure determinations reveal that the Cu(II) centers in 1 adopt a slightly distorted square pyramidal geometry, while the Cu(II) centers in 2 exhibit a coordination geometry intermediate between square pyramid and trigonal bipyramid. The Cu(II) centers in 1 and 2 coordinate to both the pyridyl and carboxylate functionalities of the isonicotinate and nicotinate bridging ligands, respectively, to result in complicated 3-D framework structures. Compound 1 exhibits rhombic open channels that are occupied by removable ethanol molecules. Magnetic measurements indicated that 1 is a simple paramagnet with only very weak antiferromagnetic interactions, while 2 exhibits more pronounced antiferromagnetic interactions with J/k)-6.4 K. Crystal data for 1: monoclinic, space group Cc, a) 5.033(1) Å, b) 24.855(5) Å, c) 11.176(2) Å,) 99.35(3)°, and Z) 4. Crystal data for 2: monoclinic, space group P2 1 /n, a) 10.693(2) Å, b) 9.589(2) Å, c) 12.535(3) Å,) 112.09(3)°, and Z) 4.
CCDC 877508: Experimental Crystal Structure Determination
2013
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
CCDC 819875: Experimental Crystal Structure Determination
2013
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Crystal and molecular structure of tris(glycinato)chromium(III) monohydrate, Cr(C2H4NO2)3.H2O
Inorganic Chemistry, 1971
Figure 4.-The coordination polyhedron about the Pr(II1) ion showing the monocapped square-antiprismatic configuration. The crystal and molecular structure of tris( glycinato)chrornium( 111) monohydrate, Cr( C S H~N O~)~ HzO, has been determined by single-crystal X-ray analysis. The cell constants are a = 6.256 ( l ) , b = 14.649 (l), c = 12.267 (1) A, and fl = 100.39 (1)'.
Inorganic Chemistry, 1975
(as3)?] BPh4, has also shown the presence of three hydridic hydrogen atoms and a similar molecular geometry to the iron compound is suggested, Furthermore the strict geometrical similarity of the cobalt and arsenic atoms in this structure (Figure 3) to the iron and phosphorus atoms in the preceding structure suggests that in the cobalt compound there are also three bridging hydridic hydrogen atoms to complete a confacial-bioctahedral geometry. Also for this structure at this point of refinement (R = 8.2%) a-IF Fourier synthesis was calculated. This map revealed three maxima with intensity of about 0.5 e/A3 in the expected positions. A AF Fourier, limited to the reflections having (sin 6)/X 5 0.30 A-1, confirmed the presence of these three peaks which then were considered hydrogen atoms. A least-squares refinement of these atoms resulted in a certain shift in their positions and furthermore yielded temperature factors rather high. However there was not any divergence during this refinement. Also in this case the positions obtained from the AF Fourier synthesis showed a more regular geometry and appeared more realistic. For this reason in the final structure factor calculation the three hydrogen atoms were introduced into the positions obtained from the ,IF' Fourier and assigned an overall isotropic temperature factor, B, equal to 5 A2. The final R factor is 8.2%. Tables VI and VI1 give the final positional and thermal parameters of the atoms of the complex. Table V I also includes the refined parameters of the bridging hydrogen atoms. Acknowledgment. Thanks are expressed to Professor L. M. Venanzi for the 31P nmr measurements, Mr. F. Cecconi and M r. D. Masi for technical assistance, Mr. G. Vignozzi and M r. F. Nuzzi for microanalyses. Registry Yo. [FezH3(p3)z]PFs.l.jCH2C12, 54003-33-7: [FezH3(p3)z] BPh4. 41 5 17-54-8: [CozH3(p3)2] BPh4, 54003-35-9; [CozH3(as3)z]BPh4, 54036-76-9; [Co(p3)(CO)z]BPh4, 54003-37-1; Supplementary Material Available. Listings of structure factor amplitudes for [FezH3(p3):]PFo 1 SCHzC12 and [CozH3(as3)z]BPh4 will appear following these pages in the microfilm edition of this volume of the journal, Photocopies of the supplementary material from this paper only or microfiche (105 X 148 mm, 24X reduction, negatives) containing all of the supplementary material for the papers in this issue may be obtained from the Journals Department. American Chemical Society,
Powder Diffraction, 2005
Four heterometallic carbonyl complexes: (1) Cp(CO)2MnPt(μ-C=CHPh)dppm) (2) [Cp(CO)2MnCu(μ-C=CHPh)(μ-Cl)]2, (3) CpMnFe2(μ3-C=CHPh)(CO)8, and (4) η4-[Cp(CO)2MnC(CO)CHPh]Fe(CO)3 have been studied by X-ray powder diffraction and their unit cell parameters are reported. Orthorhombic cell parameters for complex (1) are a=18.5719(14) Å, b=18.6092(14) Å, c=23.8117(18) Å, Z=8, space group Pbca. Monoclinic cell parameters found for complex (2) are a=11.5816(5) Å, b=7.9784(5) Å, c=16.7819(7) Å, β=105.460(2)°, Z=2, space group P21∕n. Orthorhombic cell parameters for complex (3) are a=13.5260(9) Å, b=15.1487(10) Å, c=10.3330(6) Å, Z=4, space group Pna21. Monoclinic cell parameters for complex (4) are a=10.3545(45) Å, b=8.0002(43) Å, c=21.8355(95) Å, β=102.89(2), Z=4, space group P21∕c. Parameters found for complexes (1–4) are in good agreement with those obtained from single crystal X-ray diffractometry.
CCDC 1509229: Experimental Crystal Structure Determination
2016
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
CCDC 230878: Experimental Crystal Structure Determination
2004
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
CCDC 1509228: Experimental Crystal Structure Determination
2016
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.