| Literature DB >> 22904780 |
Abstract
The three-dimensional title coordination polymer, {[Tb(2)(C(8)H(2)NO(6))(2)(H(2)O)(5)]·H(2)O}(n), was hydro-thermally synthesized by reacting the corresponding rare-earth salt with pyridine-2,4,6-tricarb-oxy-lic acid (H(3)ptc). There are two independent Tb(III) atoms in the structure, one of which is nine-coordinated, forming a monocapped NO(8) square-anti-prism and the other is eight-coordinated exhibiting a 4,4-bicapped NO(7) trigonal-prismatic environment. The complex units are inter-connected through the ptc(3-) anions acting in different coordination modes, resulting in a three-dimensional coordin-ation polymer. The crystal structure features extensive O-H⋯O hydrogen bonds.Entities:
Year: 2012 PMID: 22904780 PMCID: PMC3414173 DOI: 10.1107/S1600536812032898
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Tb2(C8H2NO6)2(H2O)5]·H2O | |
| Monoclinic, | |
| Hall symbol: -P 2yn | Mo |
| θ = 3.2–27.5° | |
| µ = 6.50 mm−1 | |
| β = 111.98 (3)° | Block, colorless |
| 0.38 × 0.34 × 0.31 mm |
| Rigaku R-AXIS RAPID diffractometer | 4912 independent reflections |
| Radiation source: fine-focus sealed tube | 4764 reflections with |
| Graphite monochromator | |
| ω scans | θmax = 27.3°, θmin = 3.2° |
| Absorption correction: multi-scan ( | |
| 20352 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| (Δ/σ)max = 0.002 | |
| 4912 reflections | Δρmax = 1.07 e Å−3 |
| 344 parameters | Δρmin = −1.34 e Å−3 |
| 0 restraints | Extinction correction: |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00271 (8) |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Tb1 | 0.373479 (7) | 0.223057 (19) | 0.377229 (7) | 0.00937 (5) | |
| Tb2 | 0.375301 (8) | 0.251927 (17) | 0.896094 (8) | 0.00979 (5) | |
| N1 | 0.42976 (13) | 0.3322 (3) | 0.27869 (13) | 0.0120 (4) | |
| C1 | 0.38349 (15) | 0.4121 (4) | 0.21132 (16) | 0.0114 (5) | |
| C2 | 0.40676 (16) | 0.4340 (4) | 0.14843 (16) | 0.0133 (5) | |
| H2A | 0.3734 | 0.4880 | 0.1020 | 0.016* | |
| C3 | 0.48211 (16) | 0.3717 (4) | 0.15760 (16) | 0.0118 (5) | |
| C4 | 0.53247 (16) | 0.3018 (4) | 0.22990 (16) | 0.0124 (5) | |
| H4A | 0.5838 | 0.2683 | 0.2381 | 0.015* | |
| C5 | 0.50402 (16) | 0.2835 (4) | 0.28911 (17) | 0.0117 (5) | |
| C6 | 0.30262 (16) | 0.4654 (4) | 0.20976 (16) | 0.0129 (5) | |
| O1 | 0.25948 (12) | 0.5738 (3) | 0.15823 (12) | 0.0172 (4) | |
| O2 | 0.28622 (12) | 0.3911 (3) | 0.26523 (12) | 0.0199 (5) | |
| C7 | 0.50831 (16) | 0.3728 (4) | 0.08905 (15) | 0.0118 (5) | |
| O3 | 0.45963 (13) | 0.3158 (3) | 0.02548 (12) | 0.0209 (4) | |
| O4 | 0.57796 (12) | 0.4253 (3) | 0.10240 (12) | 0.0161 (4) | |
| C8 | 0.55027 (16) | 0.2057 (4) | 0.36969 (16) | 0.0128 (5) | |
| O5 | 0.62146 (12) | 0.1821 (4) | 0.39036 (13) | 0.0265 (5) | |
| O6 | 0.50974 (12) | 0.1686 (3) | 0.41138 (12) | 0.0177 (4) | |
| O7 | 0.36674 (12) | −0.0446 (3) | 0.29048 (12) | 0.0209 (5) | |
| H7B | 0.3178 | −0.0743 | 0.2654 | 0.025* | |
| H7A | 0.3876 | −0.0504 | 0.2574 | 0.025* | |
| O8 | 0.40741 (13) | 0.5604 (3) | 0.39763 (14) | 0.0258 (5) | |
| H8A | 0.4527 | 0.6096 | 0.4200 | 0.031* | |
| H8B | 0.3682 | 0.5986 | 0.4083 | 0.031* | |
| O9 | 0.37823 (13) | −0.0719 (3) | 0.45020 (12) | 0.0213 (5) | |
| H9A | 0.4149 | −0.0984 | 0.4934 | 0.026* | |
| H9B | 0.3420 | −0.1105 | 0.4649 | 0.026* | |
| N2 | 0.38187 (14) | 0.2851 (3) | 0.76431 (14) | 0.0118 (5) | |
| C9 | 0.31950 (16) | 0.3532 (4) | 0.70517 (16) | 0.0127 (5) | |
| C10 | 0.31708 (17) | 0.3629 (4) | 0.62886 (16) | 0.0148 (6) | |
| H10A | 0.2727 | 0.4069 | 0.5885 | 0.018* | |
| C11 | 0.38337 (16) | 0.3044 (4) | 0.61552 (16) | 0.0134 (5) | |
| C12 | 0.44858 (17) | 0.2370 (4) | 0.67751 (17) | 0.0124 (6) | |
| H12A | 0.4938 | 0.2006 | 0.6699 | 0.015* | |
| C13 | 0.44498 (17) | 0.2250 (4) | 0.75132 (17) | 0.0122 (5) | |
| C14 | 0.25274 (16) | 0.4193 (4) | 0.72878 (16) | 0.0138 (5) | |
| O10 | 0.19299 (12) | 0.4879 (3) | 0.67646 (12) | 0.0202 (4) | |
| O11 | 0.26267 (12) | 0.3988 (3) | 0.79939 (12) | 0.0215 (5) | |
| C15 | 0.38344 (17) | 0.3049 (4) | 0.53373 (16) | 0.0144 (5) | |
| O12 | 0.44733 (13) | 0.2845 (3) | 0.52418 (13) | 0.0209 (5) | |
| O13 | 0.31908 (12) | 0.3159 (3) | 0.47642 (12) | 0.0194 (4) | |
| C16 | 0.50943 (16) | 0.1457 (4) | 0.82340 (16) | 0.0121 (5) | |
| O14 | 0.57132 (12) | 0.0860 (3) | 0.81932 (12) | 0.0194 (4) | |
| O15 | 0.49393 (12) | 0.1463 (3) | 0.88514 (11) | 0.0184 (4) | |
| O16 | 0.39547 (13) | −0.0436 (3) | 0.97204 (12) | 0.0226 (5) | |
| H16B | 0.4251 | −0.0676 | 1.0162 | 0.027* | |
| H16A | 0.3898 | −0.1570 | 0.9529 | 0.027* | |
| O17 | 0.28287 (12) | 0.3108 (4) | 0.95346 (13) | 0.0257 (5) | |
| H17B | 0.2358 | 0.3132 | 0.9261 | 0.031* | |
| H17A | 0.2806 | 0.2465 | 0.9929 | 0.031* | |
| O18 | 0.21272 (15) | 0.6101 (4) | 0.42001 (15) | 0.0346 (6) | |
| H18B | 0.2389 | 0.5106 | 0.4367 | 0.041* | |
| H18A | 0.1688 | 0.5550 | 0.3908 | 0.041* |
| Tb1 | 0.00889 (8) | 0.01244 (7) | 0.00678 (8) | 0.00037 (4) | 0.00293 (6) | 0.00027 (4) |
| Tb2 | 0.00709 (8) | 0.01571 (8) | 0.00572 (8) | −0.00047 (4) | 0.00141 (6) | 0.00003 (4) |
| N1 | 0.0092 (11) | 0.0155 (12) | 0.0108 (11) | 0.0008 (9) | 0.0032 (10) | 0.0015 (9) |
| C1 | 0.0086 (13) | 0.0135 (13) | 0.0111 (13) | 0.0009 (10) | 0.0023 (11) | 0.0012 (10) |
| C2 | 0.0116 (13) | 0.0156 (14) | 0.0097 (13) | 0.0002 (10) | 0.0005 (11) | 0.0028 (10) |
| C3 | 0.0130 (13) | 0.0123 (13) | 0.0105 (13) | −0.0037 (10) | 0.0050 (11) | −0.0019 (9) |
| C4 | 0.0102 (13) | 0.0136 (13) | 0.0129 (14) | −0.0026 (10) | 0.0040 (11) | −0.0009 (10) |
| C5 | 0.0099 (13) | 0.0134 (13) | 0.0105 (14) | −0.0017 (10) | 0.0025 (12) | −0.0005 (10) |
| C6 | 0.0095 (13) | 0.0166 (14) | 0.0106 (13) | 0.0004 (10) | 0.0016 (11) | −0.0001 (10) |
| O1 | 0.0122 (10) | 0.0235 (11) | 0.0148 (10) | 0.0044 (8) | 0.0038 (9) | 0.0062 (8) |
| O2 | 0.0130 (10) | 0.0310 (12) | 0.0174 (11) | 0.0059 (8) | 0.0076 (9) | 0.0106 (9) |
| C7 | 0.0139 (13) | 0.0121 (13) | 0.0093 (13) | 0.0016 (10) | 0.0044 (11) | 0.0018 (9) |
| O3 | 0.0208 (11) | 0.0298 (12) | 0.0091 (10) | −0.0040 (9) | 0.0022 (9) | −0.0026 (9) |
| O4 | 0.0141 (10) | 0.0208 (11) | 0.0154 (10) | −0.0023 (8) | 0.0080 (9) | 0.0000 (8) |
| C8 | 0.0106 (13) | 0.0146 (13) | 0.0114 (13) | 0.0002 (10) | 0.0021 (12) | −0.0003 (10) |
| O5 | 0.0103 (11) | 0.0439 (15) | 0.0230 (13) | 0.0050 (9) | 0.0037 (10) | 0.0105 (10) |
| O6 | 0.0130 (10) | 0.0271 (12) | 0.0133 (10) | 0.0051 (8) | 0.0051 (9) | 0.0060 (8) |
| O7 | 0.0140 (10) | 0.0330 (12) | 0.0176 (11) | −0.0037 (9) | 0.0081 (9) | −0.0103 (9) |
| O8 | 0.0238 (12) | 0.0199 (12) | 0.0321 (13) | −0.0043 (9) | 0.0086 (11) | −0.0055 (9) |
| O9 | 0.0241 (12) | 0.0237 (11) | 0.0151 (11) | 0.0032 (9) | 0.0063 (10) | 0.0067 (8) |
| N2 | 0.0100 (11) | 0.0143 (11) | 0.0097 (12) | −0.0011 (9) | 0.0022 (10) | −0.0004 (9) |
| C9 | 0.0130 (13) | 0.0137 (13) | 0.0104 (13) | 0.0008 (10) | 0.0033 (11) | 0.0008 (10) |
| C10 | 0.0136 (14) | 0.0191 (14) | 0.0092 (13) | 0.0036 (10) | 0.0013 (12) | 0.0026 (10) |
| C11 | 0.0159 (14) | 0.0146 (13) | 0.0095 (14) | −0.0004 (11) | 0.0043 (12) | −0.0023 (10) |
| C12 | 0.0125 (14) | 0.0157 (14) | 0.0096 (14) | 0.0016 (9) | 0.0049 (12) | −0.0007 (9) |
| C13 | 0.0114 (14) | 0.0120 (13) | 0.0128 (14) | 0.0002 (10) | 0.0039 (12) | −0.0005 (10) |
| C14 | 0.0130 (13) | 0.0150 (13) | 0.0127 (13) | 0.0021 (10) | 0.0038 (12) | −0.0001 (10) |
| O10 | 0.0159 (10) | 0.0283 (12) | 0.0122 (10) | 0.0099 (9) | 0.0006 (9) | 0.0038 (8) |
| O11 | 0.0154 (11) | 0.0391 (13) | 0.0102 (10) | 0.0086 (9) | 0.0052 (9) | 0.0039 (9) |
| C15 | 0.0191 (15) | 0.0151 (14) | 0.0095 (13) | 0.0016 (11) | 0.0060 (12) | −0.0002 (10) |
| O12 | 0.0166 (11) | 0.0344 (12) | 0.0119 (11) | 0.0012 (9) | 0.0056 (10) | −0.0019 (9) |
| O13 | 0.0169 (11) | 0.0307 (12) | 0.0095 (10) | 0.0043 (9) | 0.0036 (9) | −0.0018 (9) |
| C16 | 0.0107 (13) | 0.0140 (13) | 0.0099 (13) | −0.0010 (10) | 0.0021 (11) | −0.0005 (10) |
| O14 | 0.0131 (10) | 0.0293 (12) | 0.0167 (11) | 0.0063 (8) | 0.0067 (9) | 0.0022 (8) |
| O15 | 0.0125 (10) | 0.0332 (12) | 0.0091 (10) | 0.0071 (8) | 0.0035 (9) | 0.0043 (8) |
| O16 | 0.0265 (12) | 0.0206 (11) | 0.0132 (11) | 0.0038 (9) | −0.0011 (10) | 0.0027 (8) |
| O17 | 0.0107 (10) | 0.0488 (15) | 0.0182 (12) | 0.0049 (10) | 0.0060 (10) | 0.0052 (10) |
| O18 | 0.0298 (14) | 0.0369 (15) | 0.0294 (14) | 0.0125 (11) | 0.0023 (12) | −0.0028 (11) |
| Tb1—O1i | 2.508 (2) | O4—Tb2iii | 2.387 (2) |
| Tb1—O2 | 2.400 (2) | C8—O5 | 1.232 (3) |
| Tb1—O6 | 2.378 (2) | C8—O6 | 1.287 (3) |
| Tb1—O7 | 2.426 (2) | O7—H7B | 0.8706 |
| Tb1—O8 | 2.406 (2) | O7—H7A | 0.8392 |
| Tb1—O9 | 2.431 (2) | O8—H8A | 0.8514 |
| Tb1—O12 | 2.590 (2) | O8—H8B | 0.8583 |
| Tb1—O13 | 2.489 (2) | O9—H9A | 0.8538 |
| Tb1—N1 | 2.534 (2) | O9—H9B | 0.8526 |
| Tb2—O3ii | 2.365 (2) | N2—C13 | 1.339 (4) |
| Tb2—O4iii | 2.387 (2) | N2—C9 | 1.343 (4) |
| Tb2—O10iv | 2.336 (2) | C9—C10 | 1.404 (4) |
| Tb2—O11 | 2.403 (2) | C9—C14 | 1.523 (4) |
| Tb2—O15 | 2.384 (2) | C10—C11 | 1.394 (4) |
| Tb2—O16 | 2.430 (2) | C10—H10A | 0.9300 |
| Tb2—O17 | 2.358 (2) | C11—C12 | 1.397 (4) |
| Tb2—N2 | 2.507 (2) | C11—C15 | 1.520 (4) |
| N1—C1 | 1.342 (3) | C12—C13 | 1.400 (4) |
| N1—C5 | 1.351 (4) | C12—H12A | 0.9300 |
| C1—C2 | 1.396 (4) | C13—C16 | 1.521 (4) |
| C1—C6 | 1.525 (4) | C14—O10 | 1.257 (3) |
| C2—C3 | 1.402 (4) | C14—O11 | 1.263 (3) |
| C2—H2A | 0.9300 | O10—Tb2vii | 2.336 (2) |
| C3—C4 | 1.402 (4) | C15—O12 | 1.262 (4) |
| C3—C7 | 1.522 (4) | C15—O13 | 1.265 (4) |
| C4—C5 | 1.390 (4) | C16—O14 | 1.241 (3) |
| C4—H4A | 0.9300 | C16—O15 | 1.282 (3) |
| C5—C8 | 1.517 (4) | O16—H16B | 0.8149 |
| C6—O1 | 1.241 (3) | O16—H16A | 0.8500 |
| C6—O2 | 1.285 (3) | O17—H17B | 0.8253 |
| O1—Tb1v | 2.508 (2) | O17—H17A | 0.8714 |
| C7—O3 | 1.250 (3) | O18—H18B | 0.8298 |
| C7—O4 | 1.266 (3) | O18—H18A | 0.8749 |
| O3—Tb2vi | 2.365 (2) | ||
| O6—Tb1—O2 | 127.28 (7) | C2—C1—C6 | 124.2 (2) |
| O6—Tb1—O8 | 85.70 (8) | C1—C2—C3 | 117.8 (2) |
| O2—Tb1—O8 | 73.64 (8) | C1—C2—H2A | 121.1 |
| O6—Tb1—O7 | 80.97 (7) | C3—C2—H2A | 121.1 |
| O2—Tb1—O7 | 86.64 (8) | C2—C3—C4 | 119.5 (2) |
| O8—Tb1—O7 | 142.08 (8) | C2—C3—C7 | 120.4 (2) |
| O6—Tb1—O9 | 84.53 (7) | C4—C3—C7 | 120.0 (2) |
| O2—Tb1—O9 | 139.62 (7) | C5—C4—C3 | 118.6 (3) |
| O8—Tb1—O9 | 140.44 (8) | C5—C4—H4A | 120.7 |
| O7—Tb1—O9 | 73.38 (8) | C3—C4—H4A | 120.7 |
| O6—Tb1—O13 | 121.38 (7) | N1—C5—C4 | 121.7 (3) |
| O2—Tb1—O13 | 101.12 (7) | N1—C5—C8 | 113.2 (2) |
| O8—Tb1—O13 | 77.68 (8) | C4—C5—C8 | 125.1 (3) |
| O7—Tb1—O13 | 138.92 (7) | O1—C6—O2 | 125.8 (3) |
| O9—Tb1—O13 | 75.12 (7) | O1—C6—C1 | 120.0 (2) |
| O6—Tb1—O1i | 146.61 (7) | O2—C6—C1 | 114.2 (2) |
| O2—Tb1—O1i | 72.52 (7) | C6—O1—Tb1v | 137.01 (18) |
| O8—Tb1—O1i | 127.62 (7) | C6—O2—Tb1 | 127.35 (17) |
| O7—Tb1—O1i | 73.14 (7) | O3—C7—O4 | 126.3 (3) |
| O9—Tb1—O1i | 68.26 (8) | O3—C7—C3 | 116.7 (2) |
| O13—Tb1—O1i | 71.10 (7) | O4—C7—C3 | 117.0 (2) |
| O6—Tb1—N1 | 64.09 (7) | C7—O3—Tb2vi | 170.3 (2) |
| O2—Tb1—N1 | 63.37 (7) | C7—O4—Tb2iii | 127.23 (17) |
| O8—Tb1—N1 | 70.91 (8) | O5—C8—O6 | 125.2 (3) |
| O7—Tb1—N1 | 71.31 (7) | O5—C8—C5 | 119.6 (3) |
| O9—Tb1—N1 | 135.54 (7) | O6—C8—C5 | 115.2 (2) |
| O13—Tb1—N1 | 147.75 (8) | C8—O6—Tb1 | 126.89 (18) |
| O1i—Tb1—N1 | 123.80 (7) | Tb1—O7—H7B | 108.7 |
| O6—Tb1—O12 | 70.06 (7) | Tb1—O7—H7A | 126.8 |
| O2—Tb1—O12 | 138.79 (8) | H7B—O7—H7A | 105.2 |
| O8—Tb1—O12 | 70.86 (8) | Tb1—O8—H8A | 127.8 |
| O7—Tb1—O12 | 134.56 (7) | Tb1—O8—H8B | 98.2 |
| O9—Tb1—O12 | 69.76 (7) | H8A—O8—H8B | 121.3 |
| O13—Tb1—O12 | 51.34 (7) | Tb1—O9—H9A | 123.7 |
| O1i—Tb1—O12 | 114.86 (7) | Tb1—O9—H9B | 124.9 |
| N1—Tb1—O12 | 121.18 (7) | H9A—O9—H9B | 94.1 |
| O6—Tb1—C15 | 95.68 (8) | C13—N2—C9 | 119.7 (2) |
| O2—Tb1—C15 | 123.08 (8) | C13—N2—Tb2 | 120.68 (19) |
| O8—Tb1—C15 | 74.82 (8) | C9—N2—Tb2 | 119.46 (18) |
| O7—Tb1—C15 | 141.56 (8) | N2—C9—C10 | 122.5 (2) |
| O9—Tb1—C15 | 68.18 (8) | N2—C9—C14 | 113.9 (2) |
| O13—Tb1—C15 | 25.73 (8) | C10—C9—C14 | 123.6 (2) |
| O1i—Tb1—C15 | 91.86 (8) | C11—C10—C9 | 117.8 (3) |
| N1—Tb1—C15 | 141.02 (8) | C11—C10—H10A | 121.1 |
| O12—Tb1—C15 | 25.80 (8) | C9—C10—H10A | 121.1 |
| O10iv—Tb2—O17 | 94.09 (8) | C10—C11—C12 | 119.4 (2) |
| O10iv—Tb2—O3ii | 137.68 (8) | C10—C11—C15 | 120.4 (2) |
| O17—Tb2—O3ii | 79.58 (8) | C12—C11—C15 | 120.2 (2) |
| O10iv—Tb2—O15 | 91.41 (8) | C11—C12—C13 | 119.1 (3) |
| O17—Tb2—O15 | 158.69 (7) | C11—C12—H12A | 120.5 |
| O3ii—Tb2—O15 | 82.50 (8) | C13—C12—H12A | 120.5 |
| O10iv—Tb2—O4iii | 148.23 (7) | N2—C13—C12 | 121.4 (3) |
| O17—Tb2—O4iii | 98.76 (8) | N2—C13—C16 | 113.4 (2) |
| O3ii—Tb2—O4iii | 73.56 (7) | C12—C13—C16 | 125.2 (2) |
| O15—Tb2—O4iii | 87.06 (7) | O10—C14—O11 | 126.2 (3) |
| O10iv—Tb2—O11 | 76.71 (8) | O10—C14—C9 | 117.3 (2) |
| O17—Tb2—O11 | 72.40 (7) | O11—C14—C9 | 116.6 (2) |
| O3ii—Tb2—O11 | 137.43 (8) | C14—O10—Tb2vii | 150.1 (2) |
| O15—Tb2—O11 | 128.91 (7) | C14—O11—Tb2 | 124.96 (18) |
| O4iii—Tb2—O11 | 79.69 (8) | O12—C15—O13 | 121.2 (3) |
| O10iv—Tb2—O16 | 67.14 (8) | O12—C15—C11 | 119.3 (3) |
| O17—Tb2—O16 | 82.04 (8) | O13—C15—C11 | 119.4 (2) |
| O3ii—Tb2—O16 | 70.54 (8) | O12—C15—Tb1 | 63.24 (15) |
| O15—Tb2—O16 | 81.17 (8) | O13—C15—Tb1 | 58.67 (14) |
| O4iii—Tb2—O16 | 143.32 (7) | C11—C15—Tb1 | 168.1 (2) |
| O11—Tb2—O16 | 133.68 (8) | C15—O12—Tb1 | 90.96 (18) |
| O10iv—Tb2—N2 | 73.74 (7) | C15—O13—Tb1 | 95.60 (16) |
| O17—Tb2—N2 | 137.12 (8) | O14—C16—O15 | 125.0 (3) |
| O3ii—Tb2—N2 | 136.26 (8) | O14—C16—C13 | 119.9 (2) |
| O15—Tb2—N2 | 64.13 (8) | O15—C16—C13 | 115.2 (2) |
| O4iii—Tb2—N2 | 77.11 (7) | C16—O15—Tb2 | 126.57 (18) |
| O11—Tb2—N2 | 64.84 (7) | Tb2—O16—H16B | 130.9 |
| O16—Tb2—N2 | 126.24 (8) | Tb2—O16—H16A | 124.3 |
| C1—N1—C5 | 119.5 (2) | H16B—O16—H16A | 99.5 |
| C1—N1—Tb1 | 120.52 (17) | Tb2—O17—H17B | 119.8 |
| C5—N1—Tb1 | 119.27 (18) | Tb2—O17—H17A | 124.3 |
| N1—C1—C2 | 122.6 (2) | H17B—O17—H17A | 99.1 |
| N1—C1—C6 | 113.1 (2) | H18B—O18—H18A | 98.3 |
| H··· | ||||
| O7—H7 | 0.84 | 1.86 | 2.700 (3) | 174.4 |
| O7—H7 | 0.87 | 1.80 | 2.651 (3) | 164.8 |
| O8—H8 | 0.85 | 1.89 | 2.741 (3) | 176.0 |
| O8—H8 | 0.86 | 2.39 | 2.844 (3) | 113.0 |
| O9—H9 | 0.85 | 2.56 | 3.057 (3) | 119.0 |
| O9—H9 | 0.85 | 1.86 | 2.711 (3) | 176.0 |
| O9—H9 | 0.85 | 2.56 | 3.057 (3) | 118.0 |
| O16—H16 | 0.85 | 2.30 | 3.101 (3) | 156.2 |
| O16—H16 | 0.81 | 1.96 | 2.766 (3) | 171.0 |
| O17—H17 | 0.87 | 1.84 | 2.705 (4) | 173.9 |
| O17—H17 | 0.82 | 1.95 | 2.759 (3) | 163.6 |
| O18—H18 | 0.87 | 2.04 | 2.911 (4) | 175.7 |
| O18—H18 | 0.83 | 1.92 | 2.745 (4) | 167.1 |
Selected bond lengths (Å)
| Tb1—O1i | 2.508 (2) |
| Tb1—O2 | 2.400 (2) |
| Tb1—O6 | 2.378 (2) |
| Tb1—O7 | 2.426 (2) |
| Tb1—O8 | 2.406 (2) |
| Tb1—O9 | 2.431 (2) |
| Tb1—O12 | 2.590 (2) |
| Tb1—O13 | 2.489 (2) |
| Tb1—N1 | 2.534 (2) |
| Tb2—O3ii | 2.365 (2) |
| Tb2—O4iii | 2.387 (2) |
| Tb2—O10iv | 2.336 (2) |
| Tb2—O11 | 2.403 (2) |
| Tb2—O15 | 2.384 (2) |
| Tb2—O16 | 2.430 (2) |
| Tb2—O17 | 2.358 (2) |
| Tb2—N2 | 2.507 (2) |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .
Hydrogen-bond geometry (Å, °)
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| O7—H7 | 0.84 | 1.86 | 2.700 (3) | 174.4 |
| O7—H7 | 0.87 | 1.80 | 2.651 (3) | 164.8 |
| O8—H8 | 0.85 | 1.89 | 2.741 (3) | 176.0 |
| O8—H8 | 0.86 | 2.39 | 2.844 (3) | 113.0 |
| O9—H9 | 0.85 | 2.56 | 3.057 (3) | 119.0 |
| O9—H9 | 0.85 | 1.86 | 2.711 (3) | 176.0 |
| O9—H9 | 0.85 | 2.56 | 3.057 (3) | 118.0 |
| O16—H16 | 0.85 | 2.30 | 3.101 (3) | 156.2 |
| O16—H16 | 0.81 | 1.96 | 2.766 (3) | 171.0 |
| O17—H17 | 0.87 | 1.84 | 2.705 (4) | 173.9 |
| O17—H17 | 0.82 | 1.95 | 2.759 (3) | 163.6 |
| O18—H18 | 0.87 | 2.04 | 2.911 (4) | 175.7 |
| O18—H18 | 0.83 | 1.92 | 2.745 (4) | 167.1 |
Symmetry codes: (i) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) .