A solution and solid state study of niobium complexes University of ...
A solution and solid state study of niobium complexes University of ...
A solution and solid state study of niobium complexes University of ...
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Appendix A<br />
A 2 Supplementary Data for [Nb(acac)(OEt)2(O)]4:<br />
Table 2.1: Atomic coordinates (x 10 4 ) <strong>and</strong> equivalent isotropic displacement<br />
parameters (Å 2 x 10 3 ) for [Nb(acac)(OEt)2(O)]4. U(eq) is defined as one third <strong>of</strong> the<br />
trace <strong>of</strong> the orthogonalized U ij tensor.<br />
Atom x y z U(eq)<br />
C(1) 4870 (4) 5567 (3) 2201 (2) 38 (1)<br />
C(2) 5265 (4) 6467 (3) 2725 (3) 44 (1)<br />
C(3) 6286 (4) 6485 (3) 3664 (3) 38 (1)<br />
C(4) 3652 (5) 5633 (4) 1172 (3) 63 (1)<br />
C(5) 6561 (6) 7473 (3) 4160 (3) 60 (1)<br />
C(6) 4761 (5) 3499 (5) 3446 (4) 61 (1)<br />
C(7) 4384 (6) 4361 (6) 3697 (5) 89 (2)<br />
C(8) 7629 (5) 2883 (3) 2820 (3) 49 (1)<br />
C(10) 11001 (4) 4854 (4) 3540 (3) 50 (1)<br />
C(11) 11828 (5) 5714 (4) 3771 (3) 57 (1)<br />
C(12) 11504 (5) 6763 (4) 3767 (3) 47 (1)<br />
C(13) 11352 (5) 3774 (4) 3490 (4) 58 (1)<br />
C(14) 12474 (6) 7643 (4) 4020 (4) 67 (2)<br />
C(15) 9542 (6) 8291 (4) 4375 (4) 67 (1)<br />
C(16) 9432 (9) 9188 (4) 3901 (5) 103 (3)<br />
O(1) 8178 (2) 5172 (2) 3619 (2) 30 (1)<br />
O(2) 5452 (2) 4671 (2) 2530 (2) 38 (1)<br />
O(3) 7048 (2) 5687 (2) 4185 (2) 32 (1)<br />
O(4) 6177 (2) 3559 (2) 3919 (2) 35 (1)<br />
O(5) 9069 (2) 4053 (2) 5149 (2) 29 (1)<br />
O(6) 7517 (2) 3104 (2) 3412 (2) 32 (1)<br />
O(7) 9880 (3) 4925 (2) 3344 (2) 36 (1)<br />
O(8) 10433 (3) 7042 (2) 3562 (2) 43 (1)<br />
O(9) 8764 (3) 7405 (2) 3799 (2) 38 (1)<br />
O(10) 7638 (3) 6257 (2) 2233 (2) 48 (1)<br />
Nb(1) 7421 (1) 4225 (1) 3941 (1) 24 (1)<br />
Nb(2) 9056 (1) 6112 (1) 3525 (1) 28 (1)<br />
C(17A) 7392 (7) 6209 (6) 1478 (5) 38 (1)<br />
C(18A) 7683 (10) 5848 (8) 1185 (7) 57 (1)<br />
C(17B) 6862 (10) 5719 (8) 1397 (6) 48 (1)<br />
C(18B) 6180 (10) 5873 (9) 658 (6) 50 (1)<br />
C(9A) 8381 (18) 1895 (9) 3060 (9) 74 (4)<br />
C(9B) 8990 (20) 2290 (20) 3389 (15) 49 (1)<br />
100