Compound

DO3A-ABB-α

(Neutral)

DO3A-ABB-α

(Acidic)

DO3A-ABB-α

(Basic)

DO3A-UO₂ (VI) ABB-α

(Neutral)

DO3A-UO₂ (VI) ABB-α

(Acidic)

DO3A-UO₂ (VI) ABB-α

(Basic)

d (N1-C5)

1.450

1.445

1.453

1.477

1.469

1.474

d (N1-C10)

1.463

1.467

1.465

1.515

1.522

1.514

d(C10-C11)

1.534

1.530

1.533

1.569

1.568

1.576

d (N2-C11)

1.476

1.473

1.469

1.521

1.514

1.528

d (N2-C12)

1.456

1.457

1.456

1.469

1.464

1.483

d (N6-C14)

1.364

1.554

1.365

1.373

1.577

1.375

d (C5-C14)

1.524

1.507

1.525

1.532

1.505

1.531

d (N6-C7)

1.385

1.437

1.388

1.384

1.445

1.383

d (N8-C7)

1.364

1.352

1.362

1.325

1.310

1.382

d (N9-C7)

1.310

1.298

1.310

1.382

1.367

1.325

d (O-C13)

1.218

1.214

1.267

1.226

1.225

1.271

d OH-C13)

1.330

1.347

-

1.365

1.365

-

d (B-OH)

1.368

1.371

1.371

1.390

1.390

1.378

d (N1-U)

-

-

-

2.534

2.591

2.555

d (N2-U)

-

-

-

2.677

2.658

2.555

d (N3-U)

-

-

-

2.532

2.506

2.476

d (N4-U)

-

-

-

2.604

2.603

2.488