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Anthony KERMAGORET - THESES ET MEMOIRES DE L'UDS

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Crystal data 10 11 12 16<br />

Chemical formula C36H34FeN4P2.0.5(CH2Cl2).Fe2OCl6 C28H34FeN4O5P2.4(C2H3N).Fe2Cl6O C18H25Cl2FeN2O2P C22H33Cl2CoN2O4P.0.5(C7H8)<br />

Mr 1023.33 1113.00 459.12 596.37<br />

Cell setting, space Orthorhombic, Pccn Monoclinic, C2/c Monoclinic, P21/c Triclinic, P-1<br />

group<br />

Temperature (K) 173 (2) 173 (2) 173 (2) 173 (2)<br />

12.7240 (13), 12.3190 (15), 15.5250 (19) 9.1010 (4), 9.1930 (4),<br />

17.5460 (9)<br />

15.3270 (7), 21.8930 (12), 15.4880<br />

(9)<br />

a, b, c (Å) 12.6010 (3), 16.6710 (5), 20.3170<br />

(6)<br />

α, β, γ (°) 90.00, 110.368 (2), 90.00 90.00, 113.772 (5), 90.00 79.9750 (15), 84.2710 (15),<br />

83.173 (3)<br />

V (Å 3 ) 4268.0 (2) 4872.1 (4) 2227.0 (4) 1430.62 (11)<br />

Z 4 4 4 2<br />

Dx (Mg m –3 ) 1.593 1.517 1.369 1.384<br />

Radiation type Mo Kα Mo Kα Mo Kα Mo Kα<br />

µ (mm –1 ) 1.55 1.32 1.00 0.88<br />

Crystal form, Prism, orange Prism, red Prism, colorless Prism, blue<br />

colour<br />

Crystal size (mm) 0.12 × 0.10 × 0.10 0.14 × 0.12 × 0.10 0.16 × 0.14 × 0.10 0.14 × 0.12 × 0.08<br />

F(000) 2068 2272 952 624<br />

No. of measured, 9257,<br />

12328,<br />

10818,<br />

10153,<br />

independent and 4894,<br />

7114,<br />

6465,<br />

6620,<br />

observed 3202<br />

5370<br />

4953<br />

4065<br />

reflections<br />

Rint 0.070 0.033 0.029 0.044<br />

θmax (°) 27.5 30.0 30.1 27.8<br />

R[F 2 > 2σ(F 2 )],<br />

wR(F 2 0.088, 0.168, 1.15 0.050, 0.090, 1.06 0.057, 0.162, 1.08 0.061, 0.180, 1.01<br />

), S<br />

No. of relections 4894 reflections 7114 reflections 6465 reflections 6620 reflections<br />

No. of parameters 247 272 235 302<br />

H-atom treatment Constrained to parent site Constrained to parent site Constrained to parent site Constrained to parent site

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