Supporting Information Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers M. Jaya Prakash and Slavi C. Sevov* Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556
Table S1. Hydrogen-bond distances in: a) [H2bpy][Co(en)(ox)2]2•H2O (1) Donor...Acceptor D...A(Å) --------------------------------------N(6)en ... O(14)ox 2.929(3) N(6)en ... O(6)ox 3.012(3) N(4)en ... O(2)ox 2.961(3) N(5)en ... O(3)ox 3.129(3) N(3)en ... O(4)ox 3.073(3) N(1)bpy ... O(10)ox 2.790(3) N(1)bpy ... O(11)ox 2.879(3) N(2)bpy ... O(6)ox 2.935(3) N(2)bpy ... O(7)ox 2.716(3) O(1W) ... O(6)ox 2.754(3) O(1W) ... O(3)ox 2.752(3) N(4)en ... O(1W) 2.967(3) N(5)en ... O(1W) 3.121(3) b) [H2bpy][Co(en)(ox)2]2•(bp)•5H2O (2) Donor ... Acceptor D...A(Å) -----------------------------------N(1) en ... O(15)ox 2.993(3) N(2) en ... O(18)ox 2.991(3) N(2) en ... O(2)ox 2.944(3) N(5) en ... O(8)ox 2.875(3) N(5) en ... O(12)ox 3.024(3) N(6) en ... O(12)ox 2.891(3) N(3) bpy ... O(7)ox 2.759(4) N(4) bpy ... O(1)ox 2.723(4) O(13)bp ... O(8)ox 2.662(4) O(14)bp ... O(2)ox 2.712(4) N(1) en ... O(19)W 3.059(4) O(19)w ... O(20)w 2.734(4) O(19)w ... O(14)bp 2.885(3) O(20)w ... O(6)ox 2.863(4) O(20)w ... O(22)w 2.747(4) O(21)w ... O(19)w 2.783(4)
Supporting Information O(22)w O(22)w O(23)w O(23)w
... ... ... ...
O(11)ox O(23)w O(21)w O(13)bp
2.846(4) 2.719(4) 2.900(5) 2.924(4)
c) [H2bpy][Co(en)(ox)2]2•2(mp)•H2O (3) Donor ... Acceptor D...A(Å) ---------------------------------N3en ... O8ox 2.9702(17) N1bpy ... O4ox 2.9140(16) N1bpy ... O5ox 2.7618(17) N2bpy ... O8ox 2.8699(17) O1W ... O4ox 2.7491(17) O1mp ... O1W 2.6675(18) O1W ... O3ox 2.7354(16) N2en ... O1W 3.0083(18) d) [H2bpy][Co(en)(ox)2]2•(dmb)•H2O (4) Donor ... Acceptor D...A(Å) --------------------------------N(2)en ... O(7)ox 2.879(5) N(3)en ... O(6)ox 2.956(5) N(1)bpy ... O(2)ox 2.707(5) N(1)bpy ... O(3)ox 2.953(5) N(3)en ... O(20B)w 2.925(7) e) [H2bpy][Co(en)(ox)2]2•(dmn)•H2O (5) Donor...Acceptor D...A(Å) -----------------------------------N(1)en ... O(7)ox 2.948(5) N(2)en ... O(8)ox 2.871(5) N(3)bpy ... O(3)ox 2.690(5) N(3)bpy ... O(4)ox 3.019(5) N(1)en ... O(9)w 2.886(7) f) [H2bpye][Co(en)(ox)2]2•3H2O (6) Donor ... Acceptor D...A(Å) -----------------------------------N(3)en ... O(3)ox 3.012(3) N(3)en ... O(4)ox 3.093(3) N(3)en ... O(7)ox 2.964(3) N(2)en ... O(2)ox 3.153(3) N(1)bpye ... O(6)ox 2.886(3)
Supporting Information N(1)bpye ... O(21)w N(2)en ... O(22)w
2.933(4) 2.993(4)
g) [H2bpye][Co(en)(ox)2]2•2(na)•3H2O (7) Donor ... Acceptor D...A(Å) ---------------------------------N(3)en ... O(6)ox 3.005(4) N(4)en ... O(10)ox 3.007(4) N(1)bpye ... O(9)ox 2.888(3) N(1)bpye ... O(10)ox 2.733(3) N(3)en ... O(1)na 3.084(4) N(4)en ... O(2W) 2.867(4)
Figure S1. Hydrogen bonds between the metal complexes in 1.
Supporting Information
Figure S2. Hydrogen bonds between the metal complexes in 2.
Figure S3. Hydrogen bonds between the metal complexes in 3.
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Figure S4. Hydrogen bonds between the metal complexes in 4.
Figure S5. Hydrogen bonds between the metal complexes in 5.
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Figure S6. Hydrogen bonds between the metal complexes in 6.
Figure S6. Hydrogen bonds between the metal complexes in 6.
