Homogeneous CO Hydrogenation: Ligand Effects on the Lewis Acid ...

Table 5. Anisotropic displacement parameters (Å 2 x 10 4 ) for [Na(THF) 3][3-E 1Ph 1]
(AJMM48) (CCDC 770346). The anisotropic displacement factor exponent takes the form:
-2π 2 [ h 2 a* 2 U 11 + ... + 2 h k a* b* U 12 ]
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U 11 U 22 U 33 U 23 U 13 U 12
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Re(1) 61(1) 68(1) 69(1) -10(1) -2(1) -28(1)
P(1) 79(1) 80(1) 79(1) -15(1) -2(1) -32(1)
P(2) 88(1) 81(1) 103(1) -22(1) 0(1) -34(1)
Na(1) 117(1) 148(1) 134(1) 27(1) -28(1) -70(1)
O(1) 108(2) 229(3) 202(2) 19(2) -22(2) -95(2)
O(2) 225(2) 172(2) 114(2) 34(2) -31(2) -67(2)
O(3) 97(2) 173(2) 136(2) 6(2) 3(1) -77(2)
O(4) 76(2) 107(2) 95(2) 5(1) -10(1) -45(1)
O(5) 206(2) 239(3) 152(2) 74(2) -73(2) -154(2)
O(6) 193(2) 151(2) 237(2) 46(2) -85(2) -92(2)
O(7) 213(2) 226(3) 145(2) -18(2) -22(2) -92(2)
B(1) 90(2) 101(2) 88(2) 4(2) -14(2) -40(2)
C(1) 98(2) 107(2) 108(2) -3(2) -19(2) -42(2)
C(2) 114(2) 103(2) 102(2) -11(2) -5(2) -42(2)
C(3) 88(2) 101(2) 104(2) -11(2) -4(2) -44(2)
C(4) 90(2) 146(2) 115(2) 15(2) -19(2) -62(2)
C(5) 98(2) 121(2) 95(2) 4(2) -15(2) -51(2)
C(6) 106(2) 166(3) 129(2) -30(2) 3(2) -54(2)
C(7) 156(3) 222(3) 113(2) -38(2) -2(2) -92(2)
C(8) 140(2) 177(3) 113(2) -4(2) -33(2) -79(2)
C(9) 99(2) 131(2) 105(2) 15(2) -25(2) -49(2)
C(10) 141(2) 144(3) 144(2) 38(2) -53(2) -53(2)
C(11) 173(3) 162(3) 159(2) 57(2) -51(2) -95(2)
C(12) 137(2) 151(3) 149(2) 24(2) -33(2) -87(2)
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