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The title compound, [Re2(C6H5Te)2(CO)8], crystallizes with two mol­ecules in the asymmetric unit, in which two Re atoms are coordinated in a slightly distorted octa­hedral environment and are bridged by two Te atoms, which show a distorted trigonal-pyramidal geometry. The torsion angles for the Te—Re—Te—Re sequence of atoms are 19.29 (18) and 16.54 (16)° in the two mol­ecules. Thus, the Re—Te four-membered rings in the two mol­ecules deviate significantly from planarity. Two intra­molecular C—H...O inter­actions occur in one of the mol­ecules. Te—Te [4.0551 (10) Å] inter­actions between the two mol­ecules and weak inter­molecular C—H...O inter­actions stabilize the crystal packing.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536810014297/sj2772sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536810014297/sj2772Isup2.hkl
Contains datablock I

CCDC reference: 777879

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.014 Å
  • R factor = 0.034
  • wR factor = 0.079
  • Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 16
Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re2A -- C7A .. 5.17 su PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 14 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 13 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.63 eA-3 PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference O7A -- C7A .. 0.16 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H16A .. O6A .. 2.74 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H20A .. O2A .. 2.87 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12B .. O5B .. 2.63 Ang.
Alert level G PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 C9A -TE1A-RE1A-C2A 154.50 1.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2 RE2A-TE1A-RE1A-C2A 42.60 1.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 13 C15A-TE2A-RE1A-C3A -108.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 14 RE2A-TE2A-RE1A-C3A 0.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 C15A-TE2A-RE2A-C7A 114.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 22 RE1A-TE2A-RE2A-C7A 6.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43 C15B-TE2B-RE1B-C2B 171.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44 RE2B-TE2B-RE1B-C2B 68.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 63 C9B -TE1B-RE2B-C7B 147.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 64 RE1B-TE1B-RE2B-C7B 42.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 71 C15B-TE2B-RE2B-C6B -110.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 72 RE1B-TE2B-RE2B-C6B 0.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 81 C2A -RE1A-C1A -O1A 7.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 82 C3A -RE1A-C1A -O1A 17.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 83 C4A -RE1A-C1A -O1A 9.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 84 TE1A-RE1A-C1A -O1A 10.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 85 TE2A-RE1A-C1A -O1A 2.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 86 C3A -RE1A-C2A -O2A -23.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 87 C4A -RE1A-C2A -O2A -112.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 88 C1A -RE1A-C2A -O2A 69.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 89 TE1A-RE1A-C2A -O2A 135.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 90 TE2A-RE1A-C2A -O2A 158.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 91 C2A -RE1A-C3A -O3A -4.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 92 C4A -RE1A-C3A -O3A 89.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 93 C1A -RE1A-C3A -O3A -96.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 94 TE1A-RE1A-C3A -O3A 18.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 95 TE2A-RE1A-C3A -O3A 160.00 12.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 96 C2A -RE1A-C4A -O4A 123.00 11.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 97 C3A -RE1A-C4A -O4A 33.00 11.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 98 C1A -RE1A-C4A -O4A -72.00 12.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 99 TE1A-RE1A-C4A -O4A -65.00 11.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 100 TE2A-RE1A-C4A -O4A -145.00 11.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 101 C7A -RE2A-C5A -O5A 45.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 102 C6A -RE2A-C5A -O5A 139.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 103 C8A -RE2A-C5A -O5A 3.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 104 TE2A-RE2A-C5A -O5A -131.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 105 TE1A-RE2A-C5A -O5A -51.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 106 C7A -RE2A-C6A -O6A 152.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 107 C8A -RE2A-C6A -O6A -119.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 108 C5A -RE2A-C6A -O6A 61.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 109 TE2A-RE2A-C6A -O6A -29.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 110 TE1A-RE2A-C6A -O6A -4.00 21.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 111 C6A -RE2A-C7A -O7A 18.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 112 C8A -RE2A-C7A -O7A -74.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 113 C5A -RE2A-C7A -O7A 109.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 114 TE2A-RE2A-C7A -O7A -154.00 22.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 115 TE1A-RE2A-C7A -O7A -166.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 116 C7A -RE2A-C8A -O8A 13.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 117 C6A -RE2A-C8A -O8A -81.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 118 C5A -RE2A-C8A -O8A 88.00 15.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 119 TE2A-RE2A-C8A -O8A -171.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 120 TE1A-RE2A-C8A -O8A 108.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 145 C3B -RE1B-C1B -O1B -123.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 146 C2B -RE1B-C1B -O1B -29.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 147 C4B -RE1B-C1B -O1B 43.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 148 TE2B-RE1B-C1B -O1B 149.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 149 TE1B-RE1B-C1B -O1B 67.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 150 C3B -RE1B-C2B -O2B 0.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 151 C1B -RE1B-C2B -O2B 10.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 152 C4B -RE1B-C2B -O2B 9.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 153 TE2B-RE1B-C2B -O2B 13.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 154 TE1B-RE1B-C2B -O2B 18.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 155 C2B -RE1B-C3B -O3B 158.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 156 C1B -RE1B-C3B -O3B -113.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 157 C4B -RE1B-C3B -O3B 69.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 158 TE2B-RE1B-C3B -O3B -20.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 159 TE1B-RE1B-C3B -O3B -20.00 18.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 160 C3B -RE1B-C4B -O4B 12.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 161 C2B -RE1B-C4B -O4B 3.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 162 C1B -RE1B-C4B -O4B 4.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 163 TE2B-RE1B-C4B -O4B 15.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 164 TE1B-RE1B-C4B -O4B 7.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 165 C6B -RE2B-C5B -O5B 17.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 166 C7B -RE2B-C5B -O5B 10.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 167 C8B -RE2B-C5B -O5B 0.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 168 TE1B-RE2B-C5B -O5B 8.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 169 TE2B-RE2B-C5B -O5B 0.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 170 C7B -RE2B-C6B -O6B -8.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 171 C5B -RE2B-C6B -O6B 84.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 172 C8B -RE2B-C6B -O6B -97.00 20.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 173 TE1B-RE2B-C6B -O6B 18.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 174 TE2B-RE2B-C6B -O6B 159.00 18.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 175 C6B -RE2B-C7B -O7B 22.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 176 C5B -RE2B-C7B -O7B -71.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 177 C8B -RE2B-C7B -O7B 113.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 178 TE1B-RE2B-C7B -O7B 18.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 179 TE2B-RE2B-C7B -O7B -157.00 25.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 180 C6B -RE2B-C8B -O8B 95.00 16.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 181 C7B -RE2B-C8B -O8B 4.00 16.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 182 C5B -RE2B-C8B -O8B -93.00 16.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 183 TE1B-RE2B-C8B -O8B -170.00 16.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 184 TE2B-RE2B-C8B -O8B -89.00 16.00 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 92 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 96 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Comment top

The biological activities of rhenium and tellurium compounds have been studied and revealed interesting and promising applications (Begum et al., 2008; Atwood et al., 1983; Zhang & Leong, 2000). Rhenium derivatives have a wide range of biological applications such as antitumor, cytostatic (Kopf-Maier & Klapotke, 1992) and antitrypanosomal activity (Cerecetto et al., 1997). Organo tellurium compounds are the inhibitors of human cathepsin B, which is a highly predictive indicator for prognosis and diagnosis of cancer. Some of the tellurium derivatives exhibit antioxidant and immunomodulatory effects (Cunha et al., 2009). Recently, a novel organotellurium compound-RT01 was proved to act as antileishmanial agent (Lima et al., 2009). In view of these important features we have chosen the title compound for crystal structure analysis.

The title compound was crystallized with two independent molecules (A & B) in the asymmetric unit (Fig. 1), which adopted dinuclear metallacyclic structure, where each rhenium Re(CO)4 core is bonded by two phenyl tellurolate groups and hence Re centers attained a distorted octahedral geometry. The r.m.s deviation for four-membered ring with carbonyl atoms of two molecules is 0.016 Å, calculated by Platon - automolfit program (Spek, 2009) and the maximum deviation was observed in phenyl tellurolate groups. The Re—Te bond distances are nearly equal in both the molecules and are similar to those in a related structure (Cecconi et al., 1998). The six atoms (C9A—Te1A—Re2A—Te2A—C15A—Re1A & C15B—Te2B—Re2B—Te1B—C9B—Re1B) generate six-membered rings each with a boat conformation; puckering parameters (Cremer & Pople, 1975) A: q2 = 0.3707(0.0000) Å, q3 = -1.8679 (0.0001) Å, phi2 = 113.59 (0.01)°, QT =1.9043 (0.0001), theta2 = 168.78 (0.00)° and B: q2 = 0.5108(0.0002) Å, q3 = -1.9993(0.0002)Å , phi2 =125.79(0.02)°, QT = 2.0635(0.0003), theta2 = 165.67(0.01)° . The crystal packing (Fig. 2) of the molecule in the unit cell is influenced by C—H···O and Te—Te interactions. The two molecules in the unit cell are interconnected with each other through Te—Te interaction [4.0551 (10) Å] and illustrated in Fig. 3. This Te···Te separation is similar to that observed previously (Ritch & Chivers, 2009). In their study, weak intermolecular Te···Te contacts were observed in the compound C36H84Cu3N3O3P6Te3 ranging from 3.891 Å to 4.039 Å. However, the Te···Te separation observed here is smaller than that in NaCuTe, 4.38Å, (Seong et al., 1994). Based on these previous studies, the observed Te···Te contact is significant and contributes to the packing. Intermolecular and interatomic O—O bond distances are also observed for O6B—O4B, O5A—O8B, O5A—O4B, O8B—O8B, O5A—O3A, O1B—O5B, O4A—O8A with distances of 2.928 (9) Å, 2.975 (10) Å, 3.025 (9) Å, 3.014 (13) Å,2.951 (9) Å, 2.9710 (89) Å and 2.9387 (87) Å respectively.

Related literature top

For the biological importances of Re and Te compounds, see: Begum et al. (2008); Atwood et al. (1983); Zhang & Leong (2000); Lima et al. (2009); Cunha et al. (2009); Kopf-Maier & Klapotke (1992); Cerecetto et al. (1997). For a related structure, see Cecconi et al. (1998). For a structure with weak Te···Te contacts, see: Ritch & Chivers (2009). For puckering analysis, see: Cremer & Pople (1975)

Experimental top

A mixture of Re2(CO)10 (130 mg, 0.2 mmol) and diphenyl ditelluride (41 mg, 0.1 mmol), 4-phenylpyridine (93 mg, 0.6 mmol) were taken in a 50 ml two neck Schlenk flask and fitted with a reflux condenser. The system was evacuated and purged with N2. Freshly distilled mesitylene (30 ml) was added under N2 atmosphere. The reaction mixture was heated to 403 K under N2 for 6 h and allowed to cool to room temperature. The mesitylene was removed by vacuum distillation and the solid mixture was washed with hexane, chromatographed on silica gel using dichloromethane and hexane (1:9) as eluent to obtain the yellow color solid of without phenylpyridine substituted compound [(CO)4Re(µ-TeC6H5)2Re(CO)4]. Single crystal of the title compound was obtained by slow diffusion of hexane into a concentrated solution of the title compound in dichloromethane at 278 K.

Refinement top

The hydrogen atoms were placed in calculated positions (C—H = 0.95 Å) and included in the refinement in riding-model approximation with Uĩso(H) = 1.2Ueq(C).

Structure description top

The biological activities of rhenium and tellurium compounds have been studied and revealed interesting and promising applications (Begum et al., 2008; Atwood et al., 1983; Zhang & Leong, 2000). Rhenium derivatives have a wide range of biological applications such as antitumor, cytostatic (Kopf-Maier & Klapotke, 1992) and antitrypanosomal activity (Cerecetto et al., 1997). Organo tellurium compounds are the inhibitors of human cathepsin B, which is a highly predictive indicator for prognosis and diagnosis of cancer. Some of the tellurium derivatives exhibit antioxidant and immunomodulatory effects (Cunha et al., 2009). Recently, a novel organotellurium compound-RT01 was proved to act as antileishmanial agent (Lima et al., 2009). In view of these important features we have chosen the title compound for crystal structure analysis.

The title compound was crystallized with two independent molecules (A & B) in the asymmetric unit (Fig. 1), which adopted dinuclear metallacyclic structure, where each rhenium Re(CO)4 core is bonded by two phenyl tellurolate groups and hence Re centers attained a distorted octahedral geometry. The r.m.s deviation for four-membered ring with carbonyl atoms of two molecules is 0.016 Å, calculated by Platon - automolfit program (Spek, 2009) and the maximum deviation was observed in phenyl tellurolate groups. The Re—Te bond distances are nearly equal in both the molecules and are similar to those in a related structure (Cecconi et al., 1998). The six atoms (C9A—Te1A—Re2A—Te2A—C15A—Re1A & C15B—Te2B—Re2B—Te1B—C9B—Re1B) generate six-membered rings each with a boat conformation; puckering parameters (Cremer & Pople, 1975) A: q2 = 0.3707(0.0000) Å, q3 = -1.8679 (0.0001) Å, phi2 = 113.59 (0.01)°, QT =1.9043 (0.0001), theta2 = 168.78 (0.00)° and B: q2 = 0.5108(0.0002) Å, q3 = -1.9993(0.0002)Å , phi2 =125.79(0.02)°, QT = 2.0635(0.0003), theta2 = 165.67(0.01)° . The crystal packing (Fig. 2) of the molecule in the unit cell is influenced by C—H···O and Te—Te interactions. The two molecules in the unit cell are interconnected with each other through Te—Te interaction [4.0551 (10) Å] and illustrated in Fig. 3. This Te···Te separation is similar to that observed previously (Ritch & Chivers, 2009). In their study, weak intermolecular Te···Te contacts were observed in the compound C36H84Cu3N3O3P6Te3 ranging from 3.891 Å to 4.039 Å. However, the Te···Te separation observed here is smaller than that in NaCuTe, 4.38Å, (Seong et al., 1994). Based on these previous studies, the observed Te···Te contact is significant and contributes to the packing. Intermolecular and interatomic O—O bond distances are also observed for O6B—O4B, O5A—O8B, O5A—O4B, O8B—O8B, O5A—O3A, O1B—O5B, O4A—O8A with distances of 2.928 (9) Å, 2.975 (10) Å, 3.025 (9) Å, 3.014 (13) Å,2.951 (9) Å, 2.9710 (89) Å and 2.9387 (87) Å respectively.

For the biological importances of Re and Te compounds, see: Begum et al. (2008); Atwood et al. (1983); Zhang & Leong (2000); Lima et al. (2009); Cunha et al. (2009); Kopf-Maier & Klapotke (1992); Cerecetto et al. (1997). For a related structure, see Cecconi et al. (1998). For a structure with weak Te···Te contacts, see: Ritch & Chivers (2009). For puckering analysis, see: Cremer & Pople (1975)

Computing details top

Data collection: CrysAlis PRO (Oxford Diffraction, 2009); cell refinement: CrysAlis PRO (Oxford Diffraction, 2009); data reduction: CrysAlis PRO (Oxford Diffraction, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 2009).

Figures top
[Figure 1] Fig. 1. : ORTEP – 3 view of the structure of title compound, showing the atom-labeling scheme. Displacement ellipsoidsare drawn at the 50% probability level.
[Figure 2] Fig. 2. : View of the crystal packing diagram of the title compound in the unit cell.
[Figure 3] Fig. 3. : Crystal structure of title compound showing Te—Te interaction .
Bis(µ-phenyltellurido-κ2Te:Te)bis[tetracarbonylrhenium(I)] top
Crystal data top
[Re2(C6H5Te)2(CO)8]Z = 2
Mr = 2011.76F(000) = 1792
Triclinic, P1Dx = 2.743 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.8062 (13) ÅCell parameters from 15161 reflections
b = 16.3418 (15) Åθ = 2.9–32.6°
c = 17.1000 (14) ŵ = 12.32 mm1
α = 106.593 (7)°T = 150 K
β = 99.932 (9)°Block, yellow
γ = 105.572 (10)°0.32 × 0.28 × 0.22 mm
V = 2435.9 (4) Å3
Data collection top
Oxford Diffraction Xcalibur-S
diffractometer
8557 independent reflections
Radiation source: fine-focus sealed tube7388 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
Detector resolution: 15.9948 pixels mm-1θmax = 25.0°, θmin = 2.9°
ω scansh = 1111
Absorption correction: multi-scan
(CrysAlis PRO; Oxford Diffraction, 2009)
k = 1919
Tmin = 0.110, Tmax = 0.173l = 2020
20451 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.079H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0473P)2]
where P = (Fo2 + 2Fc2)/3
8557 reflections(Δ/σ)max = 0.001
577 parametersΔρmax = 2.27 e Å3
0 restraintsΔρmin = 2.55 e Å3
Crystal data top
[Re2(C6H5Te)2(CO)8]γ = 105.572 (10)°
Mr = 2011.76V = 2435.9 (4) Å3
Triclinic, P1Z = 2
a = 9.8062 (13) ÅMo Kα radiation
b = 16.3418 (15) ŵ = 12.32 mm1
c = 17.1000 (14) ÅT = 150 K
α = 106.593 (7)°0.32 × 0.28 × 0.22 mm
β = 99.932 (9)°
Data collection top
Oxford Diffraction Xcalibur-S
diffractometer
8557 independent reflections
Absorption correction: multi-scan
(CrysAlis PRO; Oxford Diffraction, 2009)
7388 reflections with I > 2σ(I)
Tmin = 0.110, Tmax = 0.173Rint = 0.038
20451 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0340 restraints
wR(F2) = 0.079H-atom parameters constrained
S = 1.06Δρmax = 2.27 e Å3
8557 reflectionsΔρmin = 2.55 e Å3
577 parameters
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Te1A0.29742 (5)0.72479 (4)0.50093 (3)0.01642 (12)
Te2A0.36142 (5)0.60877 (4)0.30316 (3)0.01644 (12)
Te1B0.35375 (5)0.18505 (4)0.27409 (3)0.01525 (12)
Te2B0.20684 (5)0.33550 (4)0.18717 (3)0.01658 (12)
Re1A0.09628 (3)0.60064 (2)0.347709 (19)0.01676 (9)
Re2A0.53570 (3)0.77358 (2)0.431685 (18)0.01559 (9)
Re1B0.06866 (3)0.15893 (2)0.181187 (18)0.01653 (9)
Re2B0.49743 (3)0.33530 (2)0.233289 (18)0.01520 (9)
O1A0.1349 (9)0.4515 (6)0.4255 (5)0.058 (2)
O2A0.0895 (7)0.4533 (5)0.1750 (4)0.0373 (17)
O3A0.1911 (7)0.5972 (5)0.3997 (4)0.0400 (18)
O4A0.0784 (7)0.7629 (5)0.2859 (4)0.0307 (15)
O5A0.6778 (7)0.6705 (5)0.5350 (4)0.0287 (14)
O6A0.7801 (7)0.7870 (5)0.3370 (4)0.0345 (16)
O7A0.7103 (7)0.9560 (5)0.5780 (4)0.0401 (17)
O8A0.3865 (8)0.8824 (5)0.3393 (5)0.0428 (18)
O1B0.1637 (7)0.0630 (5)0.0225 (4)0.0319 (16)
O2B0.0790 (8)0.0329 (5)0.1846 (4)0.0408 (17)
O3B0.2190 (7)0.1679 (6)0.0799 (4)0.046 (2)
O4B0.0069 (7)0.2418 (5)0.3568 (4)0.0308 (15)
O5B0.4357 (7)0.2119 (5)0.0444 (4)0.0329 (16)
O6B0.8091 (7)0.3224 (6)0.2827 (5)0.051 (2)
O7B0.6296 (7)0.5079 (5)0.1913 (4)0.0344 (16)
O8B0.5370 (8)0.4615 (5)0.4184 (4)0.048 (2)
C1A0.1194 (10)0.5057 (7)0.3980 (6)0.033 (2)
C2A0.0188 (9)0.5080 (7)0.2378 (6)0.025 (2)
C3A0.0839 (9)0.6001 (6)0.3829 (5)0.024 (2)
C4A0.0871 (8)0.7024 (6)0.3063 (5)0.0190 (19)
C5A0.6271 (8)0.7069 (6)0.4968 (5)0.0198 (18)
C6A0.6887 (9)0.7836 (7)0.3733 (5)0.023 (2)
C7A0.6431 (9)0.8870 (7)0.5239 (5)0.028 (2)
C8A0.4374 (9)0.8407 (7)0.3710 (5)0.026 (2)
C9A0.2264 (8)0.8398 (6)0.5416 (5)0.0168 (17)
C10A0.0903 (9)0.8416 (7)0.5024 (5)0.025 (2)
H10A0.02990.79430.45130.030*
C11A0.0440 (10)0.9135 (6)0.5392 (5)0.026 (2)
H11A0.04930.91380.51280.031*
C12A0.1285 (10)0.9834 (7)0.6117 (6)0.030 (2)
H12A0.09441.03120.63640.036*
C13A0.2672 (10)0.9826 (7)0.6488 (6)0.032 (2)
H13A0.32921.03170.69820.038*
C14A0.3154 (10)0.9112 (7)0.6144 (5)0.029 (2)
H14A0.40920.91140.64060.035*
C15A0.3338 (9)0.6387 (6)0.1869 (5)0.0183 (17)
C16A0.4588 (9)0.6670 (7)0.1605 (5)0.027 (2)
H16A0.55290.67790.19560.032*
C17A0.4462 (10)0.6795 (7)0.0813 (5)0.027 (2)
H17A0.53160.69990.06350.033*
C18A0.3091 (10)0.6620 (7)0.0303 (5)0.029 (2)
H18A0.30040.66990.02300.035*
C19A0.1826 (10)0.6327 (7)0.0560 (5)0.028 (2)
H19A0.08830.61960.02000.034*
C20A0.1964 (9)0.6228 (6)0.1357 (5)0.024 (2)
H20A0.11120.60510.15450.029*
C1B0.1288 (9)0.1010 (6)0.0792 (5)0.0227 (19)
C2B0.0234 (9)0.0381 (6)0.1836 (5)0.0220 (19)
C3B0.1129 (9)0.1624 (7)0.1170 (5)0.026 (2)
C4B0.0294 (8)0.2123 (6)0.2923 (5)0.0189 (18)
C5B0.4600 (9)0.2567 (6)0.1133 (5)0.0206 (19)
C6B0.6923 (10)0.3255 (7)0.2651 (5)0.027 (2)
C7B0.5788 (9)0.4447 (7)0.2070 (5)0.023 (2)
C8B0.5214 (9)0.4138 (7)0.3521 (5)0.027 (2)
C9B0.3979 (8)0.0687 (6)0.2002 (5)0.0172 (17)
C10B0.5088 (10)0.0756 (7)0.1601 (5)0.028 (2)
H10B0.56670.13340.16210.034*
C11B0.5364 (11)0.0016 (8)0.1168 (6)0.037 (2)
H11B0.61350.00350.08970.044*
C12B0.4503 (12)0.0871 (7)0.1132 (6)0.036 (2)
H12B0.46910.14010.08400.044*
C13B0.3373 (11)0.0936 (7)0.1526 (6)0.032 (2)
H13B0.27550.15150.14810.039*
C14B0.3140 (10)0.0152 (6)0.1991 (5)0.026 (2)
H14B0.24150.01930.22950.031*
C15B0.1889 (8)0.3331 (6)0.0598 (5)0.0185 (18)
C16B0.2680 (10)0.4114 (7)0.0489 (5)0.028 (2)
H16B0.32480.46380.09690.033*
C17B0.2642 (10)0.4132 (7)0.0335 (5)0.028 (2)
H17B0.31950.46680.04050.034*
C18B0.1808 (9)0.3378 (7)0.1040 (5)0.027 (2)
H18B0.17890.33940.15930.033*
C19B0.0998 (10)0.2595 (7)0.0936 (6)0.031 (2)
H19B0.04300.20730.14190.037*
C20B0.1017 (9)0.2572 (7)0.0113 (5)0.024 (2)
H20B0.04380.20430.00440.029*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Te1A0.0149 (2)0.0184 (3)0.0158 (2)0.0060 (2)0.00256 (19)0.0063 (2)
Te2A0.0150 (3)0.0155 (3)0.0173 (2)0.0057 (2)0.00262 (19)0.0038 (2)
Te1B0.0183 (3)0.0135 (3)0.0139 (2)0.0054 (2)0.00404 (19)0.0049 (2)
Te2B0.0156 (3)0.0146 (3)0.0191 (2)0.0052 (2)0.0038 (2)0.0056 (2)
Re1A0.01346 (16)0.0165 (2)0.01774 (15)0.00313 (14)0.00234 (12)0.00503 (13)
Re2A0.01336 (16)0.01502 (19)0.01671 (15)0.00443 (14)0.00232 (12)0.00443 (13)
Re1B0.01496 (16)0.0154 (2)0.01675 (15)0.00200 (14)0.00352 (12)0.00532 (13)
Re2B0.01394 (16)0.0144 (2)0.01666 (15)0.00354 (14)0.00324 (12)0.00625 (13)
O1A0.062 (5)0.044 (6)0.068 (5)0.011 (5)0.003 (4)0.037 (5)
O2A0.029 (4)0.039 (5)0.024 (3)0.003 (3)0.003 (3)0.004 (3)
O3A0.025 (4)0.048 (5)0.041 (4)0.004 (3)0.018 (3)0.009 (3)
O4A0.035 (4)0.025 (4)0.030 (3)0.012 (3)0.002 (3)0.010 (3)
O5A0.031 (3)0.031 (4)0.029 (3)0.019 (3)0.003 (3)0.014 (3)
O6A0.027 (3)0.043 (5)0.031 (3)0.010 (3)0.013 (3)0.007 (3)
O7A0.033 (4)0.028 (5)0.037 (4)0.003 (3)0.007 (3)0.007 (3)
O8A0.038 (4)0.040 (5)0.061 (4)0.019 (4)0.005 (3)0.032 (4)
O1B0.031 (3)0.033 (4)0.021 (3)0.004 (3)0.009 (3)0.000 (3)
O2B0.053 (4)0.020 (4)0.043 (4)0.001 (4)0.015 (3)0.014 (3)
O3B0.029 (4)0.067 (6)0.044 (4)0.010 (4)0.008 (3)0.030 (4)
O4B0.037 (4)0.035 (4)0.027 (3)0.018 (3)0.016 (3)0.011 (3)
O5B0.040 (4)0.035 (4)0.022 (3)0.011 (3)0.014 (3)0.005 (3)
O6B0.024 (4)0.067 (6)0.075 (5)0.024 (4)0.010 (4)0.039 (5)
O7B0.029 (4)0.033 (5)0.051 (4)0.009 (3)0.015 (3)0.028 (4)
O8B0.063 (5)0.031 (5)0.025 (4)0.008 (4)0.014 (3)0.003 (3)
C1A0.030 (5)0.036 (7)0.030 (5)0.010 (5)0.003 (4)0.012 (5)
C2A0.020 (4)0.026 (6)0.035 (5)0.013 (4)0.012 (4)0.014 (4)
C3A0.023 (5)0.026 (6)0.020 (4)0.005 (4)0.010 (3)0.005 (4)
C4A0.009 (4)0.027 (6)0.015 (4)0.003 (4)0.001 (3)0.002 (4)
C5A0.016 (4)0.019 (5)0.020 (4)0.005 (4)0.007 (3)0.001 (4)
C6A0.016 (4)0.031 (6)0.016 (4)0.003 (4)0.001 (3)0.005 (4)
C7A0.019 (4)0.045 (7)0.029 (5)0.014 (5)0.013 (4)0.018 (5)
C8A0.024 (5)0.023 (6)0.031 (5)0.004 (4)0.011 (4)0.010 (4)
C9A0.014 (4)0.017 (5)0.023 (4)0.006 (4)0.008 (3)0.011 (4)
C10A0.028 (5)0.029 (6)0.021 (4)0.013 (4)0.006 (4)0.010 (4)
C11A0.025 (5)0.019 (5)0.035 (5)0.007 (4)0.007 (4)0.012 (4)
C12A0.041 (5)0.024 (6)0.033 (5)0.018 (5)0.017 (4)0.010 (4)
C13A0.031 (5)0.024 (6)0.030 (5)0.006 (5)0.002 (4)0.001 (4)
C14A0.023 (5)0.029 (6)0.028 (4)0.008 (4)0.002 (4)0.004 (4)
C15A0.024 (4)0.009 (5)0.018 (4)0.007 (4)0.005 (3)0.001 (3)
C16A0.020 (4)0.033 (6)0.030 (4)0.007 (4)0.003 (4)0.018 (4)
C17A0.032 (5)0.027 (6)0.026 (4)0.008 (5)0.012 (4)0.013 (4)
C18A0.043 (6)0.032 (6)0.017 (4)0.017 (5)0.009 (4)0.010 (4)
C19A0.027 (5)0.028 (6)0.024 (4)0.008 (4)0.000 (4)0.007 (4)
C20A0.027 (5)0.028 (6)0.018 (4)0.014 (4)0.007 (3)0.004 (4)
C1B0.021 (4)0.022 (5)0.016 (4)0.002 (4)0.002 (3)0.005 (4)
C2B0.020 (4)0.014 (5)0.028 (4)0.002 (4)0.011 (4)0.003 (4)
C3B0.018 (4)0.032 (6)0.030 (4)0.004 (4)0.001 (4)0.019 (4)
C4B0.012 (4)0.016 (5)0.027 (4)0.001 (4)0.001 (3)0.013 (4)
C5B0.018 (4)0.024 (5)0.028 (5)0.011 (4)0.011 (3)0.013 (4)
C6B0.024 (5)0.029 (6)0.034 (5)0.010 (4)0.009 (4)0.018 (4)
C7B0.020 (4)0.029 (6)0.028 (4)0.014 (4)0.005 (4)0.014 (4)
C8B0.026 (5)0.026 (6)0.024 (5)0.002 (4)0.004 (4)0.008 (4)
C9B0.020 (4)0.018 (5)0.017 (4)0.009 (4)0.004 (3)0.009 (3)
C10B0.039 (5)0.025 (6)0.032 (5)0.019 (5)0.015 (4)0.015 (4)
C11B0.049 (6)0.041 (7)0.034 (5)0.025 (6)0.025 (5)0.014 (5)
C12B0.056 (7)0.028 (6)0.037 (5)0.027 (6)0.023 (5)0.011 (5)
C13B0.038 (5)0.018 (6)0.039 (5)0.008 (5)0.012 (4)0.008 (4)
C14B0.031 (5)0.021 (6)0.031 (5)0.012 (4)0.016 (4)0.011 (4)
C15B0.017 (4)0.021 (5)0.019 (4)0.009 (4)0.003 (3)0.006 (3)
C16B0.031 (5)0.024 (6)0.027 (4)0.007 (4)0.004 (4)0.012 (4)
C17B0.029 (5)0.026 (6)0.034 (5)0.006 (5)0.011 (4)0.018 (4)
C18B0.028 (5)0.038 (6)0.023 (4)0.014 (5)0.007 (4)0.016 (4)
C19B0.032 (5)0.030 (6)0.031 (5)0.014 (5)0.004 (4)0.010 (4)
C20B0.017 (4)0.025 (6)0.025 (4)0.002 (4)0.001 (3)0.011 (4)
Geometric parameters (Å, º) top
Te1A—C9A2.150 (8)C9A—C14A1.386 (12)
Te1A—Re1A2.8115 (7)C9A—C10A1.398 (11)
Te1A—Re2A2.8269 (7)C10A—C11A1.395 (12)
Te2A—C15A2.169 (8)C10A—H10A0.9500
Te2A—Re2A2.8031 (8)C11A—C12A1.363 (13)
Te2A—Re1A2.8131 (7)C11A—H11A0.9500
Te1B—C9B2.158 (8)C12A—C13A1.403 (13)
Te1B—Re2B2.8215 (7)C12A—H12A0.9500
Te1B—Re1B2.8217 (7)C13A—C14A1.390 (13)
Te2B—C15B2.143 (7)C13A—H13A0.9500
Te2B—Re1B2.8030 (7)C14A—H14A0.9500
Te2B—Re2B2.8237 (7)C15A—C20A1.387 (11)
Re1A—C2A1.955 (9)C15A—C16A1.388 (12)
Re1A—C3A1.962 (8)C16A—C17A1.416 (11)
Re1A—C4A2.001 (9)C16A—H16A0.9500
Re1A—C1A2.020 (10)C17A—C18A1.377 (13)
Re2A—C7A1.935 (10)C17A—H17A0.9500
Re2A—C6A1.937 (8)C18A—C19A1.396 (13)
Re2A—C8A2.019 (9)C18A—H18A0.9500
Re2A—C5A2.026 (9)C19A—C20A1.405 (11)
Re1B—C3B1.947 (8)C19A—H19A0.9500
Re1B—C2B1.954 (9)C20A—H20A0.9500
Re1B—C1B2.000 (8)C9B—C10B1.378 (11)
Re1B—C4B2.001 (8)C9B—C14B1.390 (12)
Re2B—C6B1.957 (9)C10B—C11B1.390 (13)
Re2B—C7B1.963 (9)C10B—H10B0.9500
Re2B—C5B1.994 (8)C11B—C12B1.402 (15)
Re2B—C8B2.004 (9)C11B—H11B0.9500
O1A—C1A1.148 (12)C12B—C13B1.390 (13)
O2A—C2A1.138 (11)C12B—H12B0.9500
O3A—C3A1.129 (10)C13B—C14B1.401 (13)
O4A—C4A1.157 (11)C13B—H13B0.9500
O5A—C5A1.138 (10)C14B—H14B0.9500
O6A—C6A1.174 (10)C15B—C16B1.389 (12)
O7A—C7A1.164 (12)C15B—C20B1.400 (12)
O8A—C8A1.146 (11)C16B—C17B1.411 (11)
O1B—C1B1.152 (10)C16B—H16B0.9500
O2B—C2B1.147 (11)C17B—C18B1.383 (13)
O3B—C3B1.162 (10)C17B—H17B0.9500
O4B—C4B1.155 (9)C18B—C19B1.390 (13)
O5B—C5B1.139 (10)C18B—H18B0.9500
O6B—C6B1.151 (10)C19B—C20B1.415 (12)
O7B—C7B1.147 (11)C19B—H19B0.9500
O8B—C8B1.134 (11)C20B—H20B0.9500
C9A—Te1A—Re1A108.5 (2)C14A—C9A—C10A119.4 (8)
C9A—Te1A—Re2A108.5 (2)C14A—C9A—Te1A117.5 (6)
Re1A—Te1A—Re2A96.25 (2)C10A—C9A—Te1A122.9 (6)
C15A—Te2A—Re2A105.6 (2)C11A—C10A—C9A119.4 (8)
C15A—Te2A—Re1A105.0 (2)C11A—C10A—H10A120.3
Re2A—Te2A—Re1A96.76 (2)C9A—C10A—H10A120.3
C9B—Te1B—Re2B107.9 (2)C12A—C11A—C10A122.1 (8)
C9B—Te1B—Re1B102.1 (2)C12A—C11A—H11A119.0
Re2B—Te1B—Re1B95.74 (2)C10A—C11A—H11A119.0
C15B—Te2B—Re1B108.3 (2)C11A—C12A—C13A118.1 (8)
C15B—Te2B—Re2B100.4 (2)C11A—C12A—H12A120.9
Re1B—Te2B—Re2B96.11 (2)C13A—C12A—H12A120.9
C2A—Re1A—C3A90.7 (3)C14A—C13A—C12A121.1 (9)
C2A—Re1A—C4A92.9 (3)C14A—C13A—H13A119.4
C3A—Re1A—C4A89.8 (3)C12A—C13A—H13A119.4
C2A—Re1A—C1A91.8 (4)C9A—C14A—C13A119.8 (8)
C3A—Re1A—C1A91.4 (4)C9A—C14A—H14A120.1
C4A—Re1A—C1A175.2 (4)C13A—C14A—H14A120.1
C2A—Re1A—Te1A171.3 (2)C20A—C15A—C16A120.0 (7)
C3A—Re1A—Te1A97.4 (2)C20A—C15A—Te2A122.3 (6)
C4A—Re1A—Te1A90.4 (2)C16A—C15A—Te2A117.4 (6)
C1A—Re1A—Te1A84.8 (3)C15A—C16A—C17A120.0 (8)
C2A—Re1A—Te2A91.8 (2)C15A—C16A—H16A120.0
C3A—Re1A—Te2A177.5 (3)C17A—C16A—H16A120.0
C4A—Re1A—Te2A89.3 (2)C18A—C17A—C16A119.5 (8)
C1A—Re1A—Te2A89.2 (3)C18A—C17A—H17A120.2
Te1A—Re1A—Te2A80.23 (2)C16A—C17A—H17A120.2
C7A—Re2A—C6A93.9 (4)C17A—C18A—C19A120.8 (8)
C7A—Re2A—C8A89.2 (4)C17A—C18A—H18A119.6
C6A—Re2A—C8A92.4 (3)C19A—C18A—H18A119.6
C7A—Re2A—C5A90.1 (4)C18A—C19A—C20A119.3 (8)
C6A—Re2A—C5A90.6 (3)C18A—C19A—H19A120.4
C8A—Re2A—C5A176.9 (3)C20A—C19A—H19A120.4
C7A—Re2A—Te2A175.6 (2)C15A—C20A—C19A120.3 (8)
C6A—Re2A—Te2A90.5 (3)C15A—C20A—H20A119.8
C8A—Re2A—Te2A90.0 (3)C19A—C20A—H20A119.8
C5A—Re2A—Te2A90.5 (2)O1B—C1B—Re1B175.4 (8)
C7A—Re2A—Te1A95.6 (2)O2B—C2B—Re1B179.2 (8)
C6A—Re2A—Te1A169.6 (3)O3B—C3B—Re1B177.5 (9)
C8A—Re2A—Te1A92.0 (2)O4B—C4B—Re1B178.7 (7)
C5A—Re2A—Te1A85.1 (2)O5B—C5B—Re2B178.6 (7)
Te2A—Re2A—Te1A80.14 (2)O6B—C6B—Re2B177.4 (8)
C3B—Re1B—C2B93.9 (4)O7B—C7B—Re2B178.1 (7)
C3B—Re1B—C1B95.1 (3)O8B—C8B—Re2B177.0 (9)
C2B—Re1B—C1B88.5 (3)C10B—C9B—C14B120.5 (8)
C3B—Re1B—C4B92.5 (3)C10B—C9B—Te1B123.1 (7)
C2B—Re1B—C4B89.0 (3)C14B—C9B—Te1B116.3 (5)
C1B—Re1B—C4B172.1 (3)C9B—C10B—C11B120.3 (9)
C3B—Re1B—Te2B88.0 (3)C9B—C10B—H10B119.8
C2B—Re1B—Te2B176.9 (2)C11B—C10B—H10B119.8
C1B—Re1B—Te2B93.7 (3)C10B—C11B—C12B120.0 (9)
C4B—Re1B—Te2B88.5 (2)C10B—C11B—H11B120.0
C3B—Re1B—Te1B169.9 (3)C12B—C11B—H11B120.0
C2B—Re1B—Te1B96.2 (2)C13B—C12B—C11B119.3 (9)
C1B—Re1B—Te1B85.5 (2)C13B—C12B—H12B120.3
C4B—Re1B—Te1B87.3 (2)C11B—C12B—H12B120.3
Te2B—Re1B—Te1B81.86 (2)C12B—C13B—C14B120.4 (9)
C6B—Re2B—C7B91.7 (4)C12B—C13B—H13B119.8
C6B—Re2B—C5B92.2 (3)C14B—C13B—H13B119.8
C7B—Re2B—C5B91.1 (4)C9B—C14B—C13B119.4 (8)
C6B—Re2B—C8B91.4 (4)C9B—C14B—H14B120.3
C7B—Re2B—C8B89.3 (4)C13B—C14B—H14B120.3
C5B—Re2B—C8B176.3 (3)C16B—C15B—C20B119.5 (7)
C6B—Re2B—Te1B94.2 (3)C16B—C15B—Te2B117.4 (6)
C7B—Re2B—Te1B173.5 (2)C20B—C15B—Te2B123.1 (6)
C5B—Re2B—Te1B91.3 (2)C15B—C16B—C17B120.1 (9)
C8B—Re2B—Te1B87.9 (3)C15B—C16B—H16B119.9
C6B—Re2B—Te2B175.5 (3)C17B—C16B—H16B119.9
C7B—Re2B—Te2B92.6 (2)C18B—C17B—C16B120.7 (9)
C5B—Re2B—Te2B86.6 (2)C18B—C17B—H17B119.7
C8B—Re2B—Te2B89.7 (3)C16B—C17B—H17B119.7
Te1B—Re2B—Te2B81.502 (19)C17B—C18B—C19B119.6 (8)
O1A—C1A—Re1A178.4 (9)C17B—C18B—H18B120.2
O2A—C2A—Re1A177.7 (8)C19B—C18B—H18B120.2
O3A—C3A—Re1A176.9 (8)C18B—C19B—C20B120.2 (9)
O4A—C4A—Re1A176.2 (7)C18B—C19B—H19B119.9
O5A—C5A—Re2A178.4 (7)C20B—C19B—H19B119.9
O6A—C6A—Re2A178.0 (9)C15B—C20B—C19B119.9 (9)
O7A—C7A—Re2A178.1 (8)C15B—C20B—H20B120.0
O8A—C8A—Re2A176.8 (9)C19B—C20B—H20B120.0
C9A—Te1A—Re1A—C2A154.5 (18)Te1A—Re2A—C5A—O5A51 (28)
Re2A—Te1A—Re1A—C2A42.6 (17)C7A—Re2A—C6A—O6A152 (20)
C9A—Te1A—Re1A—C3A48.0 (3)C8A—Re2A—C6A—O6A119 (20)
Re2A—Te1A—Re1A—C3A159.9 (3)C5A—Re2A—C6A—O6A61 (20)
C9A—Te1A—Re1A—C4A41.9 (3)Te2A—Re2A—C6A—O6A29 (20)
Re2A—Te1A—Re1A—C4A70.0 (2)Te1A—Re2A—C6A—O6A4 (21)
C9A—Te1A—Re1A—C1A138.7 (3)C6A—Re2A—C7A—O7A18 (25)
Re2A—Te1A—Re1A—C1A109.4 (3)C8A—Re2A—C7A—O7A74 (25)
C9A—Te1A—Re1A—Te2A131.2 (2)C5A—Re2A—C7A—O7A109 (25)
Re2A—Te1A—Re1A—Te2A19.292 (18)Te2A—Re2A—C7A—O7A154 (22)
C15A—Te2A—Re1A—C2A55.8 (3)Te1A—Re2A—C7A—O7A166 (25)
Re2A—Te2A—Re1A—C2A164.0 (3)C7A—Re2A—C8A—O8A13 (14)
C15A—Te2A—Re1A—C3A108 (6)C6A—Re2A—C8A—O8A81 (14)
Re2A—Te2A—Re1A—C3A0 (6)C5A—Re2A—C8A—O8A88 (15)
C15A—Te2A—Re1A—C4A37.1 (3)Te2A—Re2A—C8A—O8A171 (14)
Re2A—Te2A—Re1A—C4A71.1 (2)Te1A—Re2A—C8A—O8A108 (14)
C15A—Te2A—Re1A—C1A147.5 (4)Re1A—Te1A—C9A—C14A176.9 (6)
Re2A—Te2A—Re1A—C1A104.3 (3)Re2A—Te1A—C9A—C14A73.5 (6)
C15A—Te2A—Re1A—Te1A127.6 (2)Re1A—Te1A—C9A—C10A8.9 (7)
Re2A—Te2A—Re1A—Te1A19.483 (18)Re2A—Te1A—C9A—C10A112.3 (6)
C15A—Te2A—Re2A—C7A114 (4)C14A—C9A—C10A—C11A2.5 (13)
Re1A—Te2A—Re2A—C7A6 (4)Te1A—C9A—C10A—C11A171.6 (6)
C15A—Te2A—Re2A—C6A57.4 (3)C9A—C10A—C11A—C12A1.1 (14)
Re1A—Te2A—Re2A—C6A165.1 (3)C10A—C11A—C12A—C13A1.2 (14)
C15A—Te2A—Re2A—C8A35.0 (3)C11A—C12A—C13A—C14A2.2 (14)
Re1A—Te2A—Re2A—C8A72.6 (2)C10A—C9A—C14A—C13A1.6 (13)
C15A—Te2A—Re2A—C5A148.0 (3)Te1A—C9A—C14A—C13A172.8 (7)
Re1A—Te2A—Re2A—C5A104.3 (2)C12A—C13A—C14A—C9A0.8 (14)
C15A—Te2A—Re2A—Te1A127.1 (2)Re2A—Te2A—C15A—C20A121.9 (7)
Re1A—Te2A—Re2A—Te1A19.378 (17)Re1A—Te2A—C15A—C20A20.3 (7)
C9A—Te1A—Re2A—C7A47.8 (3)Re2A—Te2A—C15A—C16A64.0 (7)
Re1A—Te1A—Re2A—C7A159.6 (3)Re1A—Te2A—C15A—C16A165.7 (6)
C9A—Te1A—Re2A—C6A156.6 (13)C20A—C15A—C16A—C17A0.0 (14)
Re1A—Te1A—Re2A—C6A44.8 (13)Te2A—C15A—C16A—C17A174.2 (7)
C9A—Te1A—Re2A—C8A41.6 (3)C15A—C16A—C17A—C18A1.1 (14)
Re1A—Te1A—Re2A—C8A70.3 (3)C16A—C17A—C18A—C19A0.5 (15)
C9A—Te1A—Re2A—C5A137.4 (3)C17A—C18A—C19A—C20A1.2 (15)
Re1A—Te1A—Re2A—C5A110.8 (2)C16A—C15A—C20A—C19A1.8 (13)
C9A—Te1A—Re2A—Te2A131.2 (2)Te2A—C15A—C20A—C19A172.2 (7)
Re1A—Te1A—Re2A—Te2A19.370 (18)C18A—C19A—C20A—C15A2.4 (14)
C15B—Te2B—Re1B—C3B60.3 (3)C3B—Re1B—C1B—O1B123 (9)
Re2B—Te2B—Re1B—C3B163.4 (3)C2B—Re1B—C1B—O1B29 (9)
C15B—Te2B—Re1B—C2B171 (4)C4B—Re1B—C1B—O1B43 (10)
Re2B—Te2B—Re1B—C2B68 (4)Te2B—Re1B—C1B—O1B149 (9)
C15B—Te2B—Re1B—C1B34.7 (3)Te1B—Re1B—C1B—O1B67 (9)
Re2B—Te2B—Re1B—C1B68.4 (2)C3B—Re1B—C2B—O2B3 (60)
C15B—Te2B—Re1B—C4B152.9 (3)C1B—Re1B—C2B—O2B98 (60)
Re2B—Te2B—Re1B—C4B104.0 (2)C4B—Re1B—C2B—O2B89 (60)
C15B—Te2B—Re1B—Te1B119.6 (2)Te2B—Re1B—C2B—O2B125 (57)
Re2B—Te2B—Re1B—Te1B16.538 (16)Te1B—Re1B—C2B—O2B176 (100)
C9B—Te1B—Re1B—C3B125.8 (15)C2B—Re1B—C3B—O3B158 (17)
Re2B—Te1B—Re1B—C3B16.1 (15)C1B—Re1B—C3B—O3B113 (17)
C9B—Te1B—Re1B—C2B56.1 (3)C4B—Re1B—C3B—O3B69 (17)
Re2B—Te1B—Re1B—C2B165.9 (2)Te2B—Re1B—C3B—O3B20 (17)
C9B—Te1B—Re1B—C1B31.9 (3)Te1B—Re1B—C3B—O3B20 (18)
Re2B—Te1B—Re1B—C1B77.9 (3)C3B—Re1B—C4B—O4B123 (32)
C9B—Te1B—Re1B—C4B144.8 (3)C2B—Re1B—C4B—O4B29 (32)
Re2B—Te1B—Re1B—C4B105.4 (2)C1B—Re1B—C4B—O4B42 (33)
C9B—Te1B—Re1B—Te2B126.3 (2)Te2B—Re1B—C4B—O4B149 (32)
Re2B—Te1B—Re1B—Te2B16.540 (17)Te1B—Re1B—C4B—O4B67 (32)
C9B—Te1B—Re2B—C6B57.6 (3)C6B—Re2B—C5B—O5B173 (100)
Re1B—Te1B—Re2B—C6B162.3 (3)C7B—Re2B—C5B—O5B95 (32)
C9B—Te1B—Re2B—C7B147 (2)C8B—Re2B—C5B—O5B2 (36)
Re1B—Te1B—Re2B—C7B42 (2)Te1B—Re2B—C5B—O5B79 (32)
C9B—Te1B—Re2B—C5B34.7 (3)Te2B—Re2B—C5B—O5B2 (32)
Re1B—Te1B—Re2B—C5B70.0 (2)C7B—Re2B—C6B—O6B8 (20)
C9B—Te1B—Re2B—C8B148.9 (3)C5B—Re2B—C6B—O6B84 (20)
Re1B—Te1B—Re2B—C8B106.4 (3)C8B—Re2B—C6B—O6B97 (20)
C9B—Te1B—Re2B—Te2B121.1 (2)Te1B—Re2B—C6B—O6B175 (100)
Re1B—Te1B—Re2B—Te2B16.430 (17)Te2B—Re2B—C6B—O6B159 (18)
C15B—Te2B—Re2B—C6B110 (3)C6B—Re2B—C7B—O7B22 (25)
Re1B—Te2B—Re2B—C6B0 (3)C5B—Re2B—C7B—O7B71 (25)
C15B—Te2B—Re2B—C7B56.3 (4)C8B—Re2B—C7B—O7B113 (25)
Re1B—Te2B—Re2B—C7B166.2 (3)Te1B—Re2B—C7B—O7B177 (100)
C15B—Te2B—Re2B—C5B34.6 (3)Te2B—Re2B—C7B—O7B157 (25)
Re1B—Te2B—Re2B—C5B75.3 (2)C6B—Re2B—C8B—O8B95 (16)
C15B—Te2B—Re2B—C8B145.7 (4)C7B—Re2B—C8B—O8B4 (16)
Re1B—Te2B—Re2B—C8B104.4 (3)C5B—Re2B—C8B—O8B93 (16)
C15B—Te2B—Re2B—Te1B126.4 (2)Te1B—Re2B—C8B—O8B170 (16)
Re1B—Te2B—Re2B—Te1B16.555 (16)Te2B—Re2B—C8B—O8B89 (16)
C2A—Re1A—C1A—O1A74 (36)Re2B—Te1B—C9B—C10B16.1 (7)
C3A—Re1A—C1A—O1A165 (36)Re1B—Te1B—C9B—C10B116.3 (6)
C4A—Re1A—C1A—O1A90 (36)Re2B—Te1B—C9B—C14B168.0 (5)
Te1A—Re1A—C1A—O1A98 (36)Re1B—Te1B—C9B—C14B67.8 (6)
Te2A—Re1A—C1A—O1A17 (36)C14B—C9B—C10B—C11B1.1 (13)
C3A—Re1A—C2A—O2A23 (21)Te1B—C9B—C10B—C11B176.9 (7)
C4A—Re1A—C2A—O2A112 (21)C9B—C10B—C11B—C12B0.6 (14)
C1A—Re1A—C2A—O2A69 (21)C10B—C11B—C12B—C13B0.4 (14)
Te1A—Re1A—C2A—O2A135 (20)C11B—C12B—C13B—C14B3.1 (14)
Te2A—Re1A—C2A—O2A158 (21)C10B—C9B—C14B—C13B3.7 (12)
C2A—Re1A—C3A—O3A4 (17)Te1B—C9B—C14B—C13B179.7 (6)
C4A—Re1A—C3A—O3A89 (17)C12B—C13B—C14B—C9B4.7 (13)
C1A—Re1A—C3A—O3A96 (17)Re1B—Te2B—C15B—C16B171.2 (6)
Te1A—Re1A—C3A—O3A179 (100)Re2B—Te2B—C15B—C16B71.2 (6)
Te2A—Re1A—C3A—O3A160 (12)Re1B—Te2B—C15B—C20B9.0 (7)
C2A—Re1A—C4A—O4A123 (11)Re2B—Te2B—C15B—C20B109.1 (6)
C3A—Re1A—C4A—O4A33 (11)C20B—C15B—C16B—C17B2.1 (12)
C1A—Re1A—C4A—O4A72 (12)Te2B—C15B—C16B—C17B178.1 (6)
Te1A—Re1A—C4A—O4A65 (11)C15B—C16B—C17B—C18B0.7 (13)
Te2A—Re1A—C4A—O4A145 (11)C16B—C17B—C18B—C19B0.1 (13)
C7A—Re2A—C5A—O5A45 (28)C17B—C18B—C19B—C20B0.5 (13)
C6A—Re2A—C5A—O5A139 (28)C16B—C15B—C20B—C19B2.8 (12)
C8A—Re2A—C5A—O5A31 (32)Te2B—C15B—C20B—C19B177.5 (6)
Te2A—Re2A—C5A—O5A131 (28)C18B—C19B—C20B—C15B2.0 (13)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C16A—H16A···O6A0.952.743.592 (11)149
C20A—H20A···O2A0.952.873.678 (12)143
C12B—H12B···O5Bi0.952.633.433 (11)143
Symmetry code: (i) x+1, y, z.

Experimental details

Crystal data
Chemical formula[Re2(C6H5Te)2(CO)8]
Mr2011.76
Crystal system, space groupTriclinic, P1
Temperature (K)150
a, b, c (Å)9.8062 (13), 16.3418 (15), 17.1000 (14)
α, β, γ (°)106.593 (7), 99.932 (9), 105.572 (10)
V3)2435.9 (4)
Z2
Radiation typeMo Kα
µ (mm1)12.32
Crystal size (mm)0.32 × 0.28 × 0.22
Data collection
DiffractometerOxford Diffraction Xcalibur-S
Absorption correctionMulti-scan
(CrysAlis PRO; Oxford Diffraction, 2009)
Tmin, Tmax0.110, 0.173
No. of measured, independent and
observed [I > 2σ(I)] reflections
20451, 8557, 7388
Rint0.038
(sin θ/λ)max1)0.595
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.034, 0.079, 1.06
No. of reflections8557
No. of parameters577
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)2.27, 2.55

Computer programs: CrysAlis PRO (Oxford Diffraction, 2009), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 1997), PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C16A—H16A···O6A0.952.743.592 (11)148.8
C20A—H20A···O2A0.952.873.678 (12)143.1
C12B—H12B···O5Bi0.952.633.433 (11)143.2
Symmetry code: (i) x+1, y, z.
 

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