Crystal and molecular structure and spectral properties of diisothiocyanato-(1,10-phenanthroline)copper(II)

Breneman, G. L.; Parker, O. J.

doi:10.1016/s0277-5387(00)81542-9

Cited by 16 publications

(15 citation statements)

References 8 publications

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“…Selected bond distances and bond angles are presented in Table 1. The Cu -N(phen) distances of 1.995 (3) and 2.021 (2) Å for the square planar positions and an angle of 81.9 (1) for N1-Cu-N2 are comparable to what has been reported for [Cu(NCS) 2 (phen)] (Breneman & Parker, 1993) and…”

Section: Commentsupporting

confidence: 84%

“…The title compound has similar N-O bond lengths ranging from 1.250 (4) to 1.190 (4) Å in the nitrito groups that appear to be bonded through both O atoms.The coordination in the molecular structure, [Cu(NO 2 ) 2 (phen)], is best described as a slightly distorted square planar arrangement or a tetragonal arrangement with a large distortion. The crystal packing of the compound di-u-hypophosphito-bis{(1,10-phenanthroline)copper(II)} nitrate, [Cu 2 (O 2 PH 2 ) 2 (phen) 2 ](NO 3 ) 2 (Parker et al, 1996), results in a slightly distorted tetragonal coordination that bears similarities to the present structure.Selected bond distances and bond angles are presented in Table 1. The Cu -N(phen) distances of 1.995 (3) and 2.021 (2) Å for the square planar positions and an angle of 81.9 (1) for N1-Cu-N2 are comparable to what has been reported for [Cu(NCS) 2 (phen)] (Breneman & Parker, 1993) and[Cu 2 (O 2 PH 2 ) 2 (phen) 2 ](NO 3 ) 2 (Parker et al, 1996). One of the N-Cu-O angles, N1-Cu-O1 of 174.3 (1)° is closer to being linear than the other N2-Cu-O2 angle of 168.1 (1)°.…”

supporting

confidence: 82%

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Dinitrito(1,10-phenanthroline)copper(II)

Breneman¹,

Howald²,

Parker³

1999

Acta Crystallogr C

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Section: Commentsupporting

confidence: 84%

supporting

confidence: 82%

Dinitrito(1,10-phenanthroline)copper(II)

Breneman¹,

Howald²,

Parker³

1999

Acta Crystallogr C

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“…(Veidis, Dockum, Charron, Reiff & Brennan, 1981). The reverse is observed for the metal-N-atom distances in the Cu complex [Cu(phen)(NCS)2] [Mn(NCS)2 (C12H8 N2)2] (Breneman & Parker, 1993). The N(1)--C(1) and S--C(1) distances in the thiocyanate are virtually identical in c/s-[Mn(phen)E(NCS)2] and [Cu(phen)(NCS)2].…”

Section: (I)mentioning

confidence: 99%

“…It is interesting that an S atom of one molecule approaches one of the middle C atoms of a 1,10-© 1994 International Union of Crystallography Printed in Great Britain -all rights reserved phenanthroline ligand in a neighbouring molecule at a distance predicted by the sum of the two van der Waals radii (Huheey, Keiter & Keiter, 1993). The reverse is observed for the metal-N-atom distances in the Cu complex [Cu(phen)(NCS)2] [Mn(NCS) (Breneman & Parker, 1993). [Mn(bipy) (Veidis, Dockum, Charron, Reiff & Brennan, 1981).…”

Section: Commentmentioning

confidence: 99%

cis-Diisothiocyanatobis(1,10-phenanthroline)manganese(II), [Mn(NCS)2(C12H8N2)2]

Holleman¹,

Parker²,

Breneman³

1994

Acta Crystallogr C

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The crystal structure of yellow cis-[Mn(phen)2(NCS)2] (phen = 1,10-phenanthroline) containing a distortedoctahedral high-spin [MnlIN6] core is reported. The structure of [Mn(phen)2(NCS)2] consists of discrete molecules of six-coordinated Mn atoms sitting on twofold rotation axes with the thiocyanates coordinating via their N atoms. The Mn--NCS distances are 2.139 (3) A, while the Mn--N distances to the 1,10-phenanthrolines are 2.294 (2) and 2.301 (3),~. The geometry is distorted from octahedral because the N--Mn--N angle formed by each 1,10phenanthroline is only 72.2 °. Four of the cis N--Mn--N angles are in the range 89.3 (1)-90.4 (1) °, while the remainder are 96.8 (2) and 106.0 (1) °. The thiocyanate ions are linear [179.4 (3) ° ] and form an angle of 166.5 (3) ° with the Mn atom. 09Computations were performed using the MolEN package (Fair, 1990).Lists of structure factors, anisotropic displacement parameters and H-atom coordinates have been deposited with the IUCr (Reference: HH1078). Copies may be obtained through The Managing Editor, International Union of Crystallography, 5 Abbey Square, Chester CH 1 2HU, England.

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“…The structure of [Cu(bipy)(NCS)2] is analogous to the structures of [Cu(phen)(NCS)2] (phen = 1,10-phenanthroline) (Breneman & Parker, 1993) and [Cu(bpm)(NCS)2] (bpm = 2,2'-bipyrimidine) (Julve, Verdaguer, De Munno, Real & Bruno, 1993) from both a molecular structure and a crystal-packing perspective. The Cu--N(NCS) and Cu--S(SCN) distances in [Cu(phen)(NCS)2] are 1.945 (4) and 3.163 (2)/~, respectively, and are 1.941 (6) and 3.174 (2) /k, respectively, in [Cu(bpm)(NCS)2], compared with 1.946(3) and 3.220 (1)A, respectively, in the title complex.…”

mentioning

confidence: 99%