Molecules

d(C₁-N₁)

d(C₂-N₂)

d(C₁-C₂)

d(M-N₂)

d(M-N₁)

d(N₁-O₁)

d(N₂-O₂)

d(M-Cl₁)

d(M-Cl₂)

d(O₁-H₁)

d(O₂-H₂)

1a

1.317

1.317

1.418

1.892

1.892

1.359

1.359

2.209

2.209

0.991

0.991

1b

1.299

1.299

1.443

1.930

1.930

1.352

1.352

2.209

2.209

0.995

0.995

1c

1.292

1.292

1.456

1.929

1.929

1.346

1.346

2.198

2.198

0.999

0.999

1d

1.286

1.286

1.468

2.092

2.092

1.346

1.346

2.263

2.263

0.997

0.997

2a

1.324

1.324

1.441

1.877

1.877

1.366

1.366

2.220

2.220

0.992

0.992

2b

1.303

1.302

1.469

1.915

1.924

1.360

1.360

2.217

2.217

0.996

0.996

2c

1.302

1.302

1.480

1.922

1.922

1.355

1.355

2.204

2.204

0.998

0.998

2d

1.291

1.290

1.494

2.063

2.075

1.356

1.356

2.266

2.270

0.996

0.996

3a

1.328

1.328

1.450

1.876

1.770

1.365

1.365

2.221

2.221

0.993

0.993

3b

1.308

1.308

1.479

1.916

1.916

1.359

1.359

2.218

2.218

0.996

0.996

3c

1.302

1.302

1.492

1.915

1.915

1.354

1.354

2.205

2.205

0.999

0.999

3d

1.296

1.296

1.504

2.045

2.045

1.362

1.362

2.298

2.298

0.987

0.987

4a

1.366

1.366

1.426

1.810

1.810

1.357

1.357

2.228

2.228

0.994

0.994

4b

1.319

1.319

1.461

1.901

1.901

1.357

1.357

2.213

2.213

0.994

0.994

4c

1.308

1.308

1.473

1.916

1.916

1.351

1.351

2.201

2.201

0.998

0.998

4d

1.301

1.301

1.488

2.072

2.072

1.350

1.350

2.268

2.268

0.997

0.997

d(H₁-Cl₁)

d(H₂-Cl₂)

ɵ(Cl₁-M-Cl₂)

ɵ(N₁-M-N₂)

ɵ(O₁-H-Cl₁)

ɵ(O₂-H₂-Cl₂)

ɵ(Cl₁-M-N₂)

Φ(Cl₁-M-N₁-C₁)

Φ(M-N₁-C₁-C₂)

1a

2.170

2.170

97.537

81.403

138.997

138.997

171.93

−179.998

0.0026

1b

2.143

2.143

98.004

80.785

141.100

141.100

171.390

−179.994

0.0008

1c

2.112

2.112

97.271

80.943

142.176

142.176

171.836

−179.999

0.000

1d

2.174

2.174

105.963

75.999

144.786

144.786

165.018

−179.996

−0.001

2a

2.139

2.139

97.189

80.763

140.723

140.723

171.787

180.000

0.000

2b

2.108

2.122

97.582

80.189

143.262

142.306

171.411

−179.987

−0.001

2c

2.085

2.098

96.768

80.334

144.045

143.099

171.895

−179.983

−0.034

2d

2.143

2.153

104.809

75.584

146.729

145.838

165.500

−179.980

−0.006

3a

2.109

2.109

96.254

81.053

142.191

142.190

172.398

−179.046

−1.980

3b

2.090

2.090

96.717

80.282

144.037

144.036

171.774

−179.057

−3.410

3c

2.063

2.063

95.941

80.411

144.867

144.867

172.230

−178.649

−4.120

3d

2.209

2.209

100.022

76.836

145.735

145.735

168.406

−175.926

−9.933

4a

2.110

2.110

95.050

84.033

139.431

139.436

174.494

−179.994

0.001

4b

2.130

2.130

96.668

81.852

141.140

141.159

172.588

−179.985

0.002

4c

2.101

2.102

96.654

81.487

142.431

142.431

172.411

−179.992

0.006

4d

2.152

2.151

105.004

76.575

145.558

145.580

165.777

−179.993

0.011