Table 1. Crystal Data of Htmp+dif–·H2fum, Htmp+dif–·H2O, (Htmp+)(dif–)·CH3OH.0.5H2O, Htmp+dic–·1.5H2O, Htmp+male–·CH3CN, Htmp+(sub2–)0.5(H2sub)0.5·H2O, Htmp+(adi2–)0.5(H2adi)0.5·2H2O, Htmp+H2ptca–·CH3CN, (Htmp+)2Hacn2–·3H2O, and Htmp+Hseb–
| Htmp+dif–·H2fum | Htmp+dif–·H2O | (Htmp+)(dif–)· CH3OH.0.5H2O | Htmp+dic–·1.5 H2O | Htmp+Hmale–·CH3CN | Htmp+(sub2–)0.5 (H2sub)0.5·H2O | Htmp+(adi2–)0.5 (H2adi)0.5·2H2O | Htmp+H2ptca–·CH3CN | (Htmp+)2Hacn2–·3H2O | Htmp+Hseb– | |
|---|---|---|---|---|---|---|---|---|---|---|
| formula | C31H30F2N4O10 | C27H28F2N4O7 | C56H62F4N8O15 | C56H64Cl4N10O13 | C20H25N5O7 | C22H34N4O8 | C20H32N4O9 | C22H29N5O9 | C34H48N8O15 | C24H36N4O7 |
| Mr | 656.59 | 558.53 | 1163.13 | 1226.97 | 447.45 | 482.53 | 472.49 | 507.50 | 808.80 | 492.57 |
| crystal color and habit | colorless block | colorless block | colorless block | colorless block | colorless block | colorless block | colorless block | colorless block | colorless block | colorless block |
| crystal system | monoclinic | triclinic | triclinic | triclinic | monoclinic | triclinic | triclinic | triclinic | triclinic | orthorhombic |
| space group | P21/c | P-1 | P-1 | P-1 | P21/n | P-1 | P-1 | P-1 | P-1 | Pbca |
| a [Å] | 15.0134(5) | 10.6353(8) | 10.8200(4) | 12.1098(6) | 5.5006(4) | 5.6318(3) | 5.3417(3) | 5.5657(4) | 12.2024(6) | 13.3747(10) |
| b [Å] | 13.9579(4) | 11.2679(9) | 14.1385(5) | 15.2769(8) | 28.687(2) | 14.2111(8) | 14.7175(10) | 12.5168(15) | 12.7126(6) | 17.5821(17) |
| c [Å] | 14.4899(6) | 12.7457(11) | 18.9120(8) | 17.7221(9) | 14.1515(11) | 16.2960(10) | 15.8321(10) | 18.226(2) | 13.9100(6) | 22.6176(13) |
| α [°] | 90 | 94.896(7) | 78.956(3) | 84.237(4) | 90 | 98.047(5) | 107.439(6) | 85.327(10) | 73.348(4) | 90 |
| β [°] | 95.861 | 113.262(8) | 83.236(3) | 77.701(4) | 100.684(8) | 91.483(4) | 94.214(5) | 85.089(8) | 87.872(4) | 90 |
| γ [°] | 90 | 102.275(7) | 74.624(3) | 69.621(5) | 90 | 94.122(4) | 93.652(5) | 86.558(8) | 76.478(4) | 90 |
| V [Å3] | 3020.57(18) | 1346.6(2) | 2731.05(19) | 3001.6(3) | 2194.3(3) | 1287.20(13) | 1179.43(13) | 1259.0(2) | 2008.95(17) | 5318.6(7) |
| Z | 4 | 2 | 2 | 2 | 4 | 2 | 2 | 2 | 2 | 8 |
| Dcalc (g cm–3) | 1.444 | 1.378 | 1.414 | 1.358 | 1.354 | 1.245 | 1.330 | 1.339 | 1.337 | 1.230 |
| temperature (K) | 298.5(9) | 293.0(2) | 149.9(1) | 293.0(2) | 149.9(2) | 293.0(2) | 293.0(2) | 293.0(2) | 293.0(2) | 293.0(2) |
| no. measd. reflections | 26336 | 9997 | 24423 | 26124 | 18987 | 9436 | 10140 | 9385 | 17393 | 38879 |
| no. unique refl. (Rint) | 7271 (0.0306) | 4933 (0.0474) | 12681(0.0262) | 13770 (0.0222) | 5263 (0.0709) | 4702 (0.0314) | 5437 (0.0251) | 4612 (0.0568) | 9325 (0.0279) | 4676 (0.065) |
| no. obs. reflections | 4847 | 2829 | 8683 | 8513 | 2886 | 3289 | 4114 | 2760 | 5980 | 2672 |
| final R1, wR2 (obs. refl.) | 0.0514, 0.1116 | 0.0542, 0.1117 | 0.0544, 0.1322 | 0.0591, 0.1540 | 0.0734, 0.1616 | 0.0544, 0.1399 | 0.0548, 0.1397 | 0.0935, 0.2527 | 0.0571, 0.1396 | 0.0672, 0.1628 |
| goodness-of-fit (obs. refl.) | 1.018 | 1.012 | 1.027 | 1.047 | 1.044 | 1.024 | 1.040 | 1.049 | 0.988 | 1.015 |