System

3H41D2

3H43P0

3H43P1

3H43P2

T2

T3

T4

Pobs

(Pcal)

Pobs

(Pcal)

Pobs

(Pcal)

Pobs

(Pcal)

1. Solvent:CH3CN

L = GTP

Pr(III)

2.441861

0.8824

0.4164

0.7152

−2.339

1.8407

6.5293

(2.441861)

(0.6527)

(0.6426)

(0.7152)

Pr(III): L

2.654619

0.8997

0.4304

0.7078

−61.08

0.2501

8.0601

(2.654619)

(0.6713)

0.6598

(0.7078)

Pr(III): L: Ca(II)

2.728307

0.9066

0.4393

0.7601

−47.55

0.2576

8.9726

(2.728307)

(0.6739)

(0.6625)

(0.7601)

2. Solvent: CH3OH

L = GTP

Pr(III)

2.649057

0.7866

0.3978

0.7668

1.4253

1.623

8.2898

(2.649057)

(0.5953)

(0.5761)

(0.7668)

Pr(III): L

2.933212

0.7998

0.4139

0.7881

−53.78

1.799

9.1772

(2.933212)

(0.6109)

(0.6073)

(0.7881)

Pr(III): L: Ca(II)

2.945997

0.8312

0.4237

0.8035

−35.2

1.912

9.642

(2.945997)

(0.6232)

(0.6122)

(0.8035)

3. Solvent: Dioxane

L = GTP

Pr(III)

2.629602

0.7323

0.4166

0.7649

2.1298

1.5906

8.3253

(2.629602)

(0.5826)

(0.5737)

(0.7649)

Pr(III): L

2.692734

0.7676

0.4445

0.8422

−101.1

1.9843

9.4772

(2.692734)

(0.5987)

(0.5833)

(0.8422)

Pr(III): L: Ca(II)

3.809138

0.8227

0.4677

0.9218

−91.77

1.9986

9.7447

(3.809138)

(0.6472)

(0.6436)

(0.9218)

4. Solvent: DMF

L = GTP

Pr(III)

3.046379

0.8665

0.4574

0.8226

−7.583

1.8484

9.5285

(3.046379)

(0.6606)

(0.6704)

(0.8226)

Pr(III): L

3.111372

1.0156

0.5161

0.8627

−98.86

2.0885

9.9804

(3.111372)

(0.7235)

(0.7187)

(0.8627)

Pr(III): L: Ca(II)

3.263881

1.2437

0.5295

0.8695

−98.16

2.3661

10.8392

(3.263881)

90.7788)

(0.7748)

(0.8695)

5. Solvent: CH3OH + CH3CN

L = GTP

Pr(III)

2.80359

0.6412

0.3699

0.6799

−28.15

1.4295

8.8345

(2.80359)

(0.5186)

(0.5004)

(0.6799)

Pr(III): L

2.846376

0.9439

0.4358

0.7733

−39.08

2.2492

9.7052

(2.846376)

(0.6909)

(0.6895)

(0.7733)

Pr(III): L: Ca(II)

3.033962

1.0425

0.4411

0.7975

−10.03

2.2546

9.7632

(3.033962)

(0.7529)

(0.714)

(0.7975)