(2,2′-Bipyridine)bis(N-methyl-4,4′-bipyridinium)platinum(II) tetraperchlorate

Ken Sakai, Manabu Osada, Yoshimi Yokoyama, Yasushi Tomita, Taro Tsubomura
2003 Acta Crystallographica Section E  
Key indicators Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.009 A Ê Disorder in solvent or counterion R factor = 0.047 wR factor = 0.126 Data-to-parameter ratio = 18.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e. # 2003 International Union of Crystallography Printed in Great Britain ± all rights reserved In the title compound, [Pt(C 10 H 8 N 2 )(C 11 H 11 N 2 ) 2 ](ClO 4 ) 4 , the square-planar PtN 4 coordination
more » ... metry is slightly deformed, with the coordinated N atom of one of the Nmethyl-4,4 H -bipyridinium (MQ) ligands 0.262 (8) A Ê out of the plane de®ned by the rest of the coordinated N atoms and the Pt atom. The exceptional behavior of this MQ ligand is interpreted in terms of the electrostatic interactions between the positively charged MQ ligands and the perchlorate anions, where the N(MQ)Á Á ÁO(perchlorate) distances are in the range 2.932 (12)±3.259 (13) A Ê . supporting information sup-7 Acta Cryst. (2003). E59, m512-m514 Special details Experimental. The first 50 frames were rescanned at the end of data collection to evaluate any possible decay phenomenon. Since it was judged to be negligible, no decay correction was applied to the data. supporting information sup-8 Acta Cryst. (2003). E59, m512-m514 Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Mean-plane data from final SHELXL refinement run:-Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane) 7.1005 ( 0.0175) x + 20.1717 (0.0494) y − 6.4669 (0.0234) z = 5.5029 (0.0181) * −0.0149 (0.0011) N1 * 0.0003 (0.0001) N2 * −0.0147 (0.0011) N3 * 0.0294 (0.0022) Pt1 0.2617 (0.0081) N5 Rms deviation of fitted atoms = 0.0181 7.1443 (0.0199) x + 18.5206 (0.0803) y − 7.0712 (0.0243) z = 5.4100 (0.0198) Angle to previous plane (with approximate e.s.d.) = 4.01 (0.38) * −0.0068 (0.0043) C1 * 0.0101 (0.0048) C2 * −0.0063 (0.0053) C3 * −0.0009 (0.0051) C4 * 0.0046 (0.0043) C5 * −0.0007 (0.0039) N1 Rms deviation of fitted atoms = 0.0059 6.2916 (0.0276) x + 22.1939 (0.0977) y − 6.7645 (0.0322) z = 4.6965 (0.0328) Angle to previous plane (with approximate e.s.d.) = 7.74 (0.47) * −0.0241 (0.0051) C6 * 0.0243 (0.0063) C7 * −0.0091 (0.0072) C8 * −0.0070 (0.0066) C9 * 0.0080 (0.0055) C10 * 0.0078 (0.0047) N2 Rms deviation of fitted atoms = 0.0154 7.1005 (0.0175) x + 20.1717 (0.0494) y − 6.4669 (0.0234) z = 5.5029 (0.0181) Angle to previous plane (with approximate e.s.d.) = 6.17 (0.45) * −0.0149 (0.0011) N1 * 0.0003 (0.0001) N2 * −0.0147 (0.0011) N3 * 0.0294 (0.0022) Pt1 0.2617 (0.0081) N5 Rms deviation of fitted atoms = 0.0181 6.7150 (0.0171) x + 20.3325 (0.0583) y − 6.9881 (0.0092) z = 5.0003 (0.0167) Angle to previous plane (with approximate e.s.d.) = 3.78 (0.32) ) C10 * −0.0475 (0.0049) N2 Rms deviation of fitted atoms = 0.0662 7.1005 (0.0175) x + 20.1717 (0.0494) y − 6.4669 (0.0234) z = 5.5029 (0.0181) Angle to previous plane (with approximate e.s.d.) = 3.78 (0.32) * −0.0149 (0.0011) N1 * 0.0003 (0.0001) N2 * −0.0147 (0.0011) N3 * 0.0294 (0.0022) Pt1 0.2617 (0.0081) N5 Rms deviation of fitted atoms = 0.0181 3.3357 (0.0261) x − 5.7210 (0.0838) y + 9.8724 (0.0167) z = 5.0340 (0.0201) Angle to previous plane (with approximate e.s.d.) = 75.75 (0.18) * 0.0194 (0.0045) C11 * 0.0020 (0.0046) C12 * −0.0218 (0.0043) C13 * 0.0211 (0.0044) C14 * −0.0004 (0.0042) C15 * −0.0202 (0.0039) N3 Rms deviation of fitted atoms = 0.0169 4.0108 (0.0299) x + 16.6098 (0.0895) y − 9.9801 (0.0192) z = 1.5541 (0.0339) Angle to previous plane (with approximate e.s.d.) = 47.51 (1/5) * −0.0014 (0.0050) C16 * −0.0031 (0.0053) C17 * 0.0090 (0.0053) C18 * 0.0057 (0.0050) C19 * 0.0000 (0.0051) C20 * −0.0103 (0.0047) N4 Rms deviation of fitted atoms = 0.0062 7.1005 (0.0175) x + 20.1717 (0.0494) y − 6.4669 (0.0234) z = 5.5029 (0.0181) Angle to previous plane (with approximate e.s.d.) = 28.45 (0.31) * −0.0149 (0.0011) N1 * 0.0003 (0.0001) N2 * −0.0147 (0.0011) N3 * 0.0294 (0.0022) Pt1 0.2617 (0.0081) N5 Rms deviation of fitted atoms = 0.0181 − 0.4889 (0.0256) x + 30.2178 (0.0451) y + 5.9365 (0.0262) z = 2.6519 (0.0167) Angle to previous plane (with approximate e.s.d.) = 75.55 (0.16) * 0.0007 (0.0042) C22 * −0.0037 (0.0044) C23 * 0.0063 (0.0041) C24 * −0.0062 (0.0043) C25 * 0.0035 (0.0042) C26 * −0.0007 (0.0038) N5 Rms deviation of fitted atoms = 0.0042 5.8657 (0.0214) x + 28.0927 (0.0524) y + 0.2412 (0.0293) z = 5.8711 (0.0099) Angle to previous plane (with approximate e.s.d.) = 42.88 (1/5) * 0.0163 (0.0042) C27 * −0.0140 (0.0045) C28 * 0.0027 (0.0046) C29 * −0.0036 (0.0045) C30 * −0.0077 (0.0044) C31 * 0.0063 (0.0043) N6 Rms deviation of fitted atoms = 0.0098 7.1005 (0.0175) x + 20.1717 (0.0494) y − 6.4669 (0.0234) z = 5.5029 (0.0181) Angle to previous plane (with approximate e.s.d.) = 35.81 (0.22) * −0.0149 (0.0011) N1 * 0.0003 (0.0001) N2 * −0.0147 (0.0011) N3 * 0.0294 (0.0022) Pt1 0.2617 (0.0081) N5 Rms deviation of fitted atoms = 0.0181 7.1443 (0.0199) x + 18.5206 (0.0803) y − 7.0712 (0.0243) z = 5.4100 (0.0198)
doi:10.1107/s1600536803013801 fatcat:u7cw4t35hvek5m7bp3hmnvze7e