Compound

DO3A-APB-o

(Neutral)

DO3A-ABB-o

(Acidic)

DO3A-APB-o

(Basic)

DO3A-UO₂ (VI) APB-o

(Neutral)

DO3A-UO₂ (VI) APB-o

(Acidic)

DO3A-UO₂ (VI) APB-o

(Basic)

d (N1-C5)

1.446

1.441

1.446

1.476

1.469

1.370

d (N1-C10)

1.463

1.464

1.463

1.506

1.521

1.511

d(C10-C11)

1.534

1.532

1.535

1.564

1.571

1.577

d (N2-C11)

1.475

1.474

1.468

1.522

1.524

1.527

d (N2-C12)

1.455

1.457

1.456

1.477

1.479

1.482

d (N6-C14)

1.353

1.517

1.353

1.355

1.506

1.357

d (C5-C14)

1.527

1.517

1.528

1.535

1.505

1.533

d (N6-C7)

1.411

1.471

1.409

1.414

1.488

1.413

d (N8-C7)

-

-

-

-

-

-

d (N9-C7)

-

-

-

-

-

-

d (O-C13)

1.218

1.217

1.258

1.226

1.226

1.271

d (OH-C13)

1.330

1.331

-

1.363

1.363

-

d (B-OH)

1.370

1.364

1.370

1.377

1.362

1.377

d (N1-U)

-

-

-

2.544

2.570

2.543

d (N2-U)

-

-

-

2.685

2.654

2.550

d (N3-U)

-

-

-

2.549

2.507

2.484

d (N4-U)

-

-

-

2.544

2.507

2.492