S.
Dharani
a,
G.
Kalaiarasi
a,
Vincent M.
Lynch
b,
K.
Srinivasan
c and
R.
Prabhakaran
*a
aDepartment of Chemistry, Bharathiar University, Coimbatore 641046, India. E-mail: rpnchemist@gmail.com
bDepartment of Chemistry, University of Texas, Austin, TX 78712-1224, USA
cDepartment of Physics, Bharathiar University, Coimbatore 641046, India
First published on 26th January 2023
Correction for ‘C–H activation and subsequent C–C bond formation in rigid alkenes catalyzed by Ru(III) metallates’ by S. Dharani et al., React. Chem. Eng., 2023, 8, 164–174, https://doi.org/10.1039/D2RE00317A.
HL2 | RuL1 | RuL2 | |
---|---|---|---|
Empirical formula | C14H17N3O2S | C23H28N3O6RuS | C24H30N3O6RuS |
Formula weight | 291.36 | 575.61 | 589.64 |
Temperature | 100(2) K | 100(2) K | 100(2) K |
Wavelength | 0.7107 Å | 1.5418 Å | 1.5418 Å |
Crystal system | Orthorhombic | Triclinic | Triclinic |
Space group | Pbca | P | P |
Unit cell dimensions | |||
a | 13.021(2) Å | 9.247(4) Å | 8.641(2) Å |
b | 10.688(2) Å | 11.966(4) Å | 12.432(5) Å |
c | 20.554(3) Å | 11.968(5) Å | 13.006(7) Å |
α | 90° | 63.486(4)° | 63.222(5)° |
β | 90° | 87.750(3)° | 82.336(3)° |
γ | 90° | 86.958(3)° | 86.701(3)° |
Volume | 2860.5(8) Å3 | 1183.2(9) Å3 | 1236.3(10) Å3 |
Z | 8 | 2 | 2 |
Density | 1.353 Mg m−3 | 1.616 Mg m−3 | 1.584 Mg m−3 |
Absorption coefficient | 0.231 mm−1 | 6.575 mm−1 | 6.307 mm−1 |
F(000) | 1232 | 590 | 606 |
θ range for data collection | 2.525 to 28.351° | 4.094 to 72.914° | 3.963 to 73.132° |
Limiting indices | −17 ≤ h ≤ 17, −13 ≤ k ≤ 14, −27 ≤ l ≤ 27 | −11 ≤ h ≤9, −14 ≤ k ≤ 14, −14 ≤ l ≤ 14 | −10 ≤ h ≤ 10, −12 ≤ k ≤ 15, −16 ≤ l ≤ 16 |
Reflections collected | 50114 | 13457 | 14034 |
Independent reflections | 3579 [R(int) = 0.0759] | 4639 [R(int) = 0.0224] | 4852 [R(int) = 0.0290] |
Absorption correction | Semi-empirical from equivalents | Gaussian and multi scan | Gaussian and multi scan |
Refinement method | Full-matrix least-squares on F2 | Full-matrix least-squares on F2 | Full-matrix least-squares on F2 |
Data/restraints/parameters | 3579/49/215 | 4639/0/317 | 4852/0/326 |
Goodness-of-fit on F2 | 1.044 | 1.038 | 1.037 |
Final R indices [I > 2σ(I)] | R 1 = 0.0529, wR2 = 0.1417 | R 1 = 0.0266, wR2 = 0.0687 | R 1 = 0.0227, wR2 = 0.0578 |
R indices (all data) | R 1 = 0.0819, wR2 = 0.1269 | R 1 = 0.0273, wR2 = 0.0693 | R 1 = 0.0243, wR2 = 0.0590 |
Bond lengths | HL2 | RuL1 | RuL2 |
---|---|---|---|
O(1)–C(1) | 1.258(03) | — | — |
N(1)–C(1) | 1.405(03) | — | — |
N(1)–N(2) | 1.369(03) | 1.406(03) | 1.405(02) |
S(1)–C(4) | 1.654(03) | — | — |
N(3)–C(4) | 1.488(07) | — | — |
Ru(1)–N(1) | — | 2.011(18) | 2.000(15) |
Ru(1)–S(1) | — | 2.329(06) | 2.337(05) |
Ru(1)–O(3) | — | 2.012(15) | 2.023(13) |
Ru(1)–O(4) | — | 2.065(15) | 2.018(13) |
Ru(1)–O(5) | — | 2.022(15) | 2.061(13) |
Ru(1)–O(6) | — | 2.025(16) | 2.016(13) |
Bond angles | |||
N(1)–Ru(1)–S(1) | — | 84.61(5) | 83.32(4) |
S(1)–Ru(1)–O(3) | — | 89.81(5) | 93.31(4) |
O(3)–Ru(1)–O(6) | — | 88.37(6) | 179.05(5) |
O(6)–Ru(1)–O(4) | — | 86.82(7) | 88.26(5) |
O(4)–Ru(1)–O(5) | — | 87.65(6) | 86.43(5) |
O(5)–Ru(1)–N(1) | — | 89.86(7) | 98.06(6) |
O(3)–Ru(1)–O(4) | — | 91.98(6) | 90.87(5) |
O(5)–Ru(1)–S(1) | — | 90.52(5) | 178.55(4) |
O(5)–Ru(1)–O(6) | — | 90.29(6) | 93.34(5) |
O(6)–Ru(1)–S(1) | — | 91.06(5) | 87.12(4) |
N(1)–Ru(1)–O(3) | — | 91.51(7) | 90.75(6) |
N(1)–Ru(1)–O(4) | — | 97.51(7) | 175.32(5) |
N(1)–Ru(1)–O(6) | — | 175.67(7) | 90.14(6) |
S(1)–Ru(1)–O(4) | — | 177.19(4) | 92.21(4) |
O(3)–Ru(1)–O(5) | — | 178.62(6) | 86.22(5) |
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