Bis{tris[2-(2-oxidobenzylideneazaniumyl)- ethyl]amine-j 3 O,O 0 ,O 00 }calcium bis(perchlorate) acetonitrile disolvate Muhammet Kose* and Vickie McKee Chemistry Department, Loughborough University, Leicestershire, LE11 3TU, England Correspondence e-mail: m.kose@lboro.ac.uk Received 13 December 2010; accepted 23 December 2010 Key indicators: single-crystal X-ray study; T = 150 K; mean (C–C) = 0.002 A ˚ ; R factor = 0.039; wR factor = 0.110; data-to-parameter ratio = 17.4. The title complex, [Ca(C 27 H 30 N 4 O 3 ) 2 ](ClO 4 ) 2 2CH 3 CN, is composed of centrosymmetric (CaL 2 ) 2+ cations [L = tris(2- hydroxybenzoylaminoethyl)amine = H 3 saltren], uncoordin- ated perchlorate anions and acetonitrile solvent molecules. The calcium ion is six-coordinated and is bonded to all phenoxy O atoms from both zwitterionic saltren molecules. There are strong intramolecular N—HO hydrogen bonds. The cations are linked into chains via weak intermolecular C—HO hydrogen bonds and C—H and – stacking interactions [centroid–centroid distances = 3.306 (3) and 3.415 (3) A ˚ ]. Related literature For crystal structure of the free ligand, see: Gu ¨ ndu ¨z et al. (1985). For structures of transition metal complexes of H 3 saltren, see: Steinhauser et al. (2004); Elerman et al. (1994, 1995). Experimental Crystal data [Ca(C 27 H 30 N 4 O 3 ) 2 ](ClO 4 ) 2 2C 2 H 3 N M r = 1238.19 Orthorhombic, Pbca a = 11.3469 (7) A ˚ b = 19.5307 (12) A ˚ c = 27.3178 (16) A ˚ V = 6054.0 (6) A ˚ 3 Z =4 Mo K radiation = 0.27 mm 1 T = 150 K 0.12 0.10 0.09 mm Data collection Bruker APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2008) T min = 0.662, T max = 0.746 55467 measured reflections 6915 independent reflections 5810 reflections with I > 2.0(I) R int = 0.030 Refinement R[F 2 >2(F 2 )] = 0.039 wR(F 2 ) = 0.110 S = 1.05 6915 reflections 398 parameters H atoms treated by a mixture of independent and constrained refinement Á max = 0.60 e A ˚ 3 Á min = 0.39 e A ˚ 3 Table 1 Hydrogen-bond geometry (A ˚ , ). Cg1 is the centroid of the C1–C6 ring. D—HA D—H HA DA D—HA N1—H1AO1 0.85 (2) 1.98 (2) 2.6597 (17) 136 (2) N3—H3AO2 0.86 (2) 1.91 (2) 2.6256 (18) 140 (2) N4—H4AO3 0.83 (2) 1.98 (2) 2.6449 (17) 137 (2) C3—H3O7 i 0.95 2.41 3.316 (2) 160 C20—H20AO5 ii 0.99 2.50 3.380 (2) 148 C10—H10AO5 iii 0.99 2.50 3.271 (2) 134 C21—H21O5 ii 0.95 2.58 3.259 (2) 129 C29—H29BO6 iv 0.98 2.58 3.555 (3) 173 C26—H26Cg1 v 0.95 2.68 3.489 (2) 143 Symmetry codes: (i) x þ 1; y þ 1; z þ 1; (ii) x 1; y 1; z; (iii) x 1 2 ; y 1; z þ 3 2 ; (iv) x þ 3 2 ; y 1 2 ; z; (v) x þ 1; y; z þ 1. Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL. We are grateful to the Turkish Government for the award of a postgraduate scholarship (to MK). Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PV2371). References Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Elerman, Y., Kabak, M., Svoboda, I., Fuess, H. & Atakol, O. (1995). J. Chem. Crystallogr. 25, 227–230. Elerman, Y., Kabak, M., Svoboda, I. & Geselle, M. (1994). Acta Cryst. C50, 1694–1696. Gu ¨ ndu ¨z, N., Gu ¨ ndu ¨z, T., Hursthouse, M. B., Parkes, H. G., Shaw (ne ´ e Go ¨ zen), L. S., Shaw, R. A. & Tu ¨zu ¨ n, M. (1985). J. Chem. Soc. Perkin Trans. 2, pp. 899–902. Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Steinhauser, S., Bachman, F., Hazenkamp, M., Heinz, U., Dannacher, J. & Hegetschweiler, K. (2004). Z. Kristallogr. New Cryst. Struct. 219, 325–326. metal-organic compounds Acta Cryst. (2011). E67, m149 doi:10.1107/S1600536810053961 Kose and McKee m149 Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368