Table 5. Selected Bond Lengths and Angles of the Cu2+ Coordination Environments in the Crystal Structures of [Cu(DO4S)(NO3)]·NO3 and of Both Molecules of [Cu(DO2A2S)]a.
| [Cu(DO2A2S)] |
|||||
|---|---|---|---|---|---|
| [Cu(DO4S)(NO3)]·NO3 |
molecule #1 |
molecule #2 |
|||
| bond | distance (Å) | bond | distance (Å) | bond | distance (Å) |
| Cu1–N5 | 2.03(7) | Cu1–O1 | 1.954(2) | Cu2–O3 | 1.955(2) |
| Cu1–N3 | 2.04(7) | Cu1–N1 | 2.150(3) | Cu2–N3 | 2.110(3) |
| Cu1–N2 | 2.05(7) | Cu1–N2 | 2.536(3) | Cu2–N4 | 2.336(3) |
| Cu1–N4 | 2.06(7) | ||||
| Cu1–O31 | 2.15(6) | ||||
| [Cu(DO2A2S)] |
|||||
|---|---|---|---|---|---|
| [Cu(DO4S)(NO3)]·NO3 |
molecule #1 |
molecule #2 |
|||
| bond | angle (deg) | bond | angle (deg) | bond | angle (deg) |
| N5–Cu1–N2 | 86.8(3) | O1–Cu1–N1 | 80.3(1) | O3–Cu2–N3 | 84.1(1) |
| N5–Cu1–N3 | 151.9(3) | N1–Cu1–N1#1 | 117.2(2) | N3–Cu2–N3#2 | 103.3(2) |
| N5–Cu1–N4 | 87.6(3) | N2–Cu1–N2#1 | 125.6(2) | N4–Cu2–N4#2 | 149.9(1) |
| N5–Cu1–O31 | 104.6(3) | O1–Cu1–O1#1 | 87.0(1) | O3–Cu2–O3#2 | 89.6(1) |
| N3–Cu1–O31 | 103.3(3) | O1–Cu1–N1#1 | 157.49(9) | O3–Cu2–N3#2 | 169.4(1) |
| N2–Cu1–O31 | 110.5(3) | ||||
| N4–Cu1–O31 | 98.7(3) | ||||
a
See Figure 5 for atom labeling. Additional data are summarized in Tables S8, S9, S11, and S12. Symmetry codes: #1, −x + 1, y, −z + 1; #2, −x + 2, y, −z + 1.