metal-organic compounds
Bis[μ-2-(4-hydroxyphenyl)acetato]-κ3O,O′:O;κ3O:O,O′-bis{aqua(4,4′-bipyridine-κN)bis[2-(4-hydroxyphenyl)acetato-κ2O,O′]dysprosium(III)} monohydrate
aCollege of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People's Republic of China, and bZhejiang Normal University Xingzhi College, Jinhua 321004, People's Republic of China
*Correspondence e-mail: sky53@zjnu.cn
In the title dinuclear complex, [Dy2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O, the DyIII atoms are coordinated by eight O atoms from four 2-(4-hydroxyphenyl)acetate (HPAA) ligands and a water molecule, and one N atom from a 4,4′-bipyridine (bipy) ligand in a distorted tricapped trigonal prismatic geometry. Whereas four HPAA ligands coordinate to just two DyIII atoms, the remaining two ligands bridge the two DyIII atoms. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds link the molecules into a three-dimensional network.
Related literature
For background literature on metal–organic complexes, see: Fang & Zhang (2006); Wang et al. (2010); Wang & Sevov (2008). For our previous work, see: Liu et al. (2010).
Experimental
Crystal data
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Refinement
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Data collection: APEX2 (Bruker, 2006); cell SAINT (Bruker, 2006); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).
Supporting information
https://doi.org/10.1107/S1600536810044107/bt5397sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810044107/bt5397Isup2.hkl
All reagents and solvents used were of commercially available quality and without purified before using. p-hydroxyphenylacetic acid(HPAA) (0.456 g, 3 mmol)and sodium hydroxide (0.12 g, 3 mmol) were mixed together in water(10 ml), then Dy[(NO3)3](0.360 g, 1 mmol) dissolved in water(10 ml) was added into the above solution, after stirred for an hour, an ethanol(5 ml) solution of 4,4'-bipyridine(0.156 g, 1 mmol) is slowly dripped into the above solution with stirring for three hours. After filtration, the filtrate was allowed to stand at room temperature, and single crystals suitable for X-ray work were obtained after a week.
All H atoms attached to C atoms and O(hydroxyl) atom were fixed geometrically and treated as riding with C–H = 0.97 Å (methylene) or 0.93 Å (aromatic) and O–H = 0.82 Å with Uiso(H) = 1.2Ueq(C) or Uiso(H) = 1.5Ueq(O). H atoms of the water molecules were located in a difference Fourier map and included in the
using restraints (O–H= 0.82 (1)Å and H···H= 1.39 (2) Å) with Uiso(H) = 1.5Ueq(O).The design and synthesis of carboxylic mental-organic complexes have been an increasing interest for decades owing to their potential practical applications, such as fluorescence, magnetism (Wang et al., 2010; Fang & Zhang, 2006; Wang et al., 2008). We have worked at it before (Liu et al., 2010). In the paper, we report the
of a new dysprosium III complex with the ligand p- hydroxyphenylacetic acid. The title compound consist of two Dy (III) cation, six L ligands, two bipy molecules and three water molecules. In the bicentric structure compound, every centric atom is coordinated with seven O atoms from four L ligands,one N atom from 4,4'-bipyridine ligand and one O atom from a water molecule. The centric atom is nine coordinated. The PAA ligands are coordinated by two modes, bridging and bridging tridentate. (Fig.1). The dysprosium III atom is in a distorted capped pentagonal prism environment. The Dy–O bond lengths range from 2.3875 (16) Å-2.5555 (16) Å. The Dy–N distances range from 2.494 (3) Å-2.509 (3) Å. The Dy–O(water) bond length range are 2.5415 (19)Å and 2.5631(19 Å. In addition, there are plenty of hydrogen bonds in the due to the existence of dissociative water and crystal water molecules. The occurrence of numerous O–H···O involving coordinated and non- coordinated water molecules build up a three dimensional network.For background literature on metal–organic complexes, see: Fang & Zhang (2006); Wang et al. (2010); Wang & Sevov (2008). For our previous work, see: Liu et al. (2010).
Data collection: APEX2 (Bruker, 2006); cell
SAINT (Bruker, 2006); data reduction: SAINT (Bruker, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).Fig. 1. The molecular structure of the title complex, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. |
[Dy2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O | Z = 2 |
Mr = 1598.23 | F(000) = 1600 |
Triclinic, P1 | Dx = 1.682 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.7235 (1) Å | Cell parameters from 9252 reflections |
b = 16.2155 (2) Å | θ = 1.2–25.0° |
c = 18.4135 (2) Å | µ = 2.43 mm−1 |
α = 83.4850 (1)° | T = 296 K |
β = 72.2430 (1)° | Block, colourless |
γ = 71.2160 (1)° | 0.13 × 0.08 × 0.07 mm |
V = 3155.68 (6) Å3 |
Bruker APEXII area-detector diffractometer | 11065 independent reflections |
Radiation source: fine-focus sealed tube | 10032 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.025 |
φ and ω scans | θmax = 25.0°, θmin = 1.2° |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | h = −13→13 |
Tmin = 0.786, Tmax = 0.849 | k = −19→19 |
40429 measured reflections | l = −21→21 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.019 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.048 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0215P)2 + 1.845P] where P = (Fo2 + 2Fc2)/3 |
11065 reflections | (Δ/σ)max = 0.002 |
875 parameters | Δρmax = 0.32 e Å−3 |
9 restraints | Δρmin = −0.83 e Å−3 |
[Dy2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O | γ = 71.2160 (1)° |
Mr = 1598.23 | V = 3155.68 (6) Å3 |
Triclinic, P1 | Z = 2 |
a = 11.7235 (1) Å | Mo Kα radiation |
b = 16.2155 (2) Å | µ = 2.43 mm−1 |
c = 18.4135 (2) Å | T = 296 K |
α = 83.4850 (1)° | 0.13 × 0.08 × 0.07 mm |
β = 72.2430 (1)° |
Bruker APEXII area-detector diffractometer | 11065 independent reflections |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | 10032 reflections with I > 2σ(I) |
Tmin = 0.786, Tmax = 0.849 | Rint = 0.025 |
40429 measured reflections |
R[F2 > 2σ(F2)] = 0.019 | 9 restraints |
wR(F2) = 0.048 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | Δρmax = 0.32 e Å−3 |
11065 reflections | Δρmin = −0.83 e Å−3 |
875 parameters |
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 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. |
x | y | z | Uiso*/Ueq | ||
Dy1 | 0.271981 (9) | 0.363948 (6) | 0.282840 (6) | 0.02273 (4) | |
Dy2 | 0.131125 (9) | 0.207461 (6) | 0.197161 (6) | 0.02254 (4) | |
N1 | 0.31242 (19) | 0.50888 (12) | 0.28243 (12) | 0.0309 (4) | |
N2 | 0.3936 (3) | 0.92825 (16) | 0.2213 (2) | 0.0619 (8) | |
N3 | 0.08633 (19) | 0.06439 (12) | 0.19011 (11) | 0.0298 (4) | |
N4 | 0.0329 (3) | −0.36289 (16) | 0.2296 (2) | 0.0627 (8) | |
C1 | 0.2255 (2) | 0.50889 (16) | 0.51605 (14) | 0.0327 (5) | |
C2 | 0.3410 (2) | 0.51461 (18) | 0.47221 (15) | 0.0413 (6) | |
H2A | 0.3971 | 0.4675 | 0.4427 | 0.050* | |
C3 | 0.3756 (3) | 0.58875 (19) | 0.47098 (16) | 0.0446 (7) | |
H3A | 0.4540 | 0.5913 | 0.4406 | 0.053* | |
C4 | 0.2936 (2) | 0.65878 (17) | 0.51481 (16) | 0.0397 (6) | |
C5 | 0.1790 (3) | 0.65370 (18) | 0.56058 (17) | 0.0441 (7) | |
H5A | 0.1244 | 0.7001 | 0.5915 | 0.053* | |
C6 | 0.1448 (2) | 0.57973 (17) | 0.56079 (16) | 0.0408 (6) | |
H6A | 0.0664 | 0.5773 | 0.5914 | 0.049* | |
C7 | 0.1860 (3) | 0.42785 (17) | 0.51933 (14) | 0.0387 (6) | |
H7A | 0.2312 | 0.3825 | 0.5484 | 0.046* | |
H7B | 0.0969 | 0.4409 | 0.5452 | 0.046* | |
C8 | 0.2127 (2) | 0.39551 (16) | 0.44026 (14) | 0.0326 (6) | |
C9 | 0.6224 (2) | 0.08968 (16) | 0.30225 (16) | 0.0357 (6) | |
C10 | 0.6039 (3) | 0.05837 (17) | 0.37600 (17) | 0.0463 (7) | |
H10A | 0.5913 | 0.0955 | 0.4146 | 0.056* | |
C11 | 0.6034 (3) | −0.02653 (17) | 0.39483 (16) | 0.0464 (7) | |
H11A | 0.5914 | −0.0462 | 0.4452 | 0.056* | |
C12 | 0.6207 (2) | −0.08148 (16) | 0.33835 (15) | 0.0356 (6) | |
C13 | 0.6383 (3) | −0.05151 (17) | 0.26432 (15) | 0.0422 (7) | |
H13A | 0.6500 | −0.0886 | 0.2259 | 0.051* | |
C14 | 0.6389 (3) | 0.03275 (17) | 0.24648 (16) | 0.0406 (6) | |
H14A | 0.6506 | 0.0521 | 0.1960 | 0.049* | |
C15 | 0.6248 (3) | 0.18147 (16) | 0.28169 (19) | 0.0463 (7) | |
H15A | 0.6908 | 0.1806 | 0.2344 | 0.056* | |
H15B | 0.6471 | 0.2027 | 0.3210 | 0.056* | |
C16 | 0.5045 (2) | 0.24494 (15) | 0.27220 (14) | 0.0306 (5) | |
C17 | 0.2727 (3) | 0.45387 (17) | 0.01337 (14) | 0.0392 (6) | |
C18 | 0.1464 (3) | 0.50122 (19) | 0.02819 (15) | 0.0450 (7) | |
H18A | 0.0859 | 0.4745 | 0.0544 | 0.054* | |
C19 | 0.1087 (3) | 0.58734 (19) | 0.00474 (15) | 0.0428 (7) | |
H19A | 0.0237 | 0.6181 | 0.0153 | 0.051* | |
C20 | 0.1978 (3) | 0.62747 (16) | −0.03442 (15) | 0.0357 (6) | |
C21 | 0.3236 (2) | 0.58150 (16) | −0.04913 (15) | 0.0379 (6) | |
H21A | 0.3840 | 0.6084 | −0.0750 | 0.046* | |
C22 | 0.3600 (3) | 0.49590 (17) | −0.02560 (15) | 0.0406 (6) | |
H22A | 0.4452 | 0.4656 | −0.0361 | 0.049* | |
C23 | 0.3125 (4) | 0.36042 (18) | 0.04013 (16) | 0.0534 (8) | |
H23A | 0.2577 | 0.3307 | 0.0322 | 0.064* | |
H23B | 0.3975 | 0.3317 | 0.0099 | 0.064* | |
C24 | 0.3078 (2) | 0.35337 (15) | 0.12322 (14) | 0.0306 (5) | |
C25 | 0.1422 (3) | 0.11408 (16) | 0.47622 (14) | 0.0358 (6) | |
C26 | 0.0395 (3) | 0.10685 (17) | 0.53601 (15) | 0.0395 (6) | |
H26A | −0.0292 | 0.1560 | 0.5518 | 0.047* | |
C27 | 0.0380 (3) | 0.02737 (17) | 0.57250 (15) | 0.0393 (6) | |
H27A | −0.0309 | 0.0235 | 0.6128 | 0.047* | |
C28 | 0.1386 (2) | −0.04553 (16) | 0.54891 (14) | 0.0328 (6) | |
C29 | 0.2421 (3) | −0.03927 (17) | 0.48987 (15) | 0.0390 (6) | |
H29A | 0.3108 | −0.0885 | 0.4742 | 0.047* | |
C30 | 0.2431 (3) | 0.04010 (18) | 0.45449 (15) | 0.0401 (6) | |
H30A | 0.3132 | 0.0439 | 0.4151 | 0.048* | |
C31 | 0.1441 (3) | 0.19920 (17) | 0.43400 (15) | 0.0425 (7) | |
H31A | 0.0804 | 0.2462 | 0.4653 | 0.051* | |
H31B | 0.2251 | 0.2074 | 0.4274 | 0.051* | |
C32 | 0.1217 (2) | 0.20597 (14) | 0.35722 (13) | 0.0275 (5) | |
C33 | −0.2543 (2) | 0.47975 (15) | 0.24487 (14) | 0.0286 (5) | |
C34 | −0.2115 (2) | 0.51805 (16) | 0.17475 (14) | 0.0348 (6) | |
H34A | −0.1733 | 0.4836 | 0.1317 | 0.042* | |
C35 | −0.2243 (2) | 0.60543 (17) | 0.16740 (15) | 0.0376 (6) | |
H35A | −0.1955 | 0.6296 | 0.1197 | 0.045* | |
C36 | −0.2801 (2) | 0.65755 (15) | 0.23086 (15) | 0.0334 (6) | |
C37 | −0.3226 (2) | 0.62099 (16) | 0.30114 (15) | 0.0371 (6) | |
H37A | −0.3602 | 0.6556 | 0.3442 | 0.045* | |
C38 | −0.3092 (2) | 0.53266 (16) | 0.30763 (14) | 0.0350 (6) | |
H38A | −0.3378 | 0.5085 | 0.3553 | 0.042* | |
C39 | −0.2412 (2) | 0.38403 (15) | 0.25171 (16) | 0.0347 (6) | |
H39A | −0.2861 | 0.3716 | 0.3033 | 0.042* | |
H39B | −0.2819 | 0.3712 | 0.2176 | 0.042* | |
C40 | −0.1089 (2) | 0.32384 (14) | 0.23409 (13) | 0.0279 (5) | |
C41 | 0.2338 (3) | 0.05507 (16) | −0.04528 (14) | 0.0367 (6) | |
C42 | 0.3527 (3) | 0.00417 (17) | −0.04189 (14) | 0.0388 (6) | |
H42A | 0.4092 | 0.0313 | −0.0376 | 0.047* | |
C43 | 0.3893 (3) | −0.08532 (17) | −0.04468 (15) | 0.0424 (6) | |
H43A | 0.4698 | −0.1179 | −0.0429 | 0.051* | |
C44 | 0.3062 (3) | −0.12652 (17) | −0.05013 (16) | 0.0436 (7) | |
C45 | 0.1881 (3) | −0.07749 (19) | −0.05483 (16) | 0.0466 (7) | |
H45A | 0.1321 | −0.1049 | −0.0593 | 0.056* | |
C46 | 0.1531 (3) | 0.01245 (18) | −0.05282 (15) | 0.0428 (6) | |
H46A | 0.0737 | 0.0449 | −0.0566 | 0.051* | |
C47 | 0.1913 (3) | 0.15330 (17) | −0.03899 (15) | 0.0429 (7) | |
H47A | 0.2545 | 0.1764 | −0.0743 | 0.051* | |
H47B | 0.1138 | 0.1776 | −0.0532 | 0.051* | |
C48 | 0.1703 (3) | 0.18082 (15) | 0.04088 (14) | 0.0332 (6) | |
C49 | 0.2297 (2) | 0.57803 (15) | 0.32198 (15) | 0.0337 (6) | |
H49A | 0.1564 | 0.5712 | 0.3563 | 0.040* | |
C50 | 0.2471 (2) | 0.65933 (16) | 0.31464 (15) | 0.0349 (6) | |
H50A | 0.1869 | 0.7054 | 0.3439 | 0.042* | |
C51 | 0.3547 (2) | 0.67157 (15) | 0.26344 (15) | 0.0337 (6) | |
C52 | 0.4424 (2) | 0.59920 (16) | 0.22376 (17) | 0.0398 (6) | |
H52A | 0.5173 | 0.6039 | 0.1899 | 0.048* | |
C53 | 0.4181 (2) | 0.52075 (16) | 0.23468 (16) | 0.0373 (6) | |
H53A | 0.4782 | 0.4732 | 0.2075 | 0.045* | |
C54 | 0.4487 (3) | 0.8668 (2) | 0.1689 (2) | 0.0698 (11) | |
H54A | 0.4954 | 0.8814 | 0.1214 | 0.084* | |
C55 | 0.4415 (3) | 0.78259 (18) | 0.1802 (2) | 0.0569 (9) | |
H55A | 0.4820 | 0.7424 | 0.1412 | 0.068* | |
C56 | 0.3732 (2) | 0.75912 (16) | 0.25023 (17) | 0.0391 (6) | |
C57 | 0.3181 (3) | 0.82196 (19) | 0.30564 (19) | 0.0584 (9) | |
H57A | 0.2731 | 0.8091 | 0.3543 | 0.070* | |
C58 | 0.3309 (4) | 0.9042 (2) | 0.2879 (2) | 0.0685 (10) | |
H58A | 0.2922 | 0.9457 | 0.3259 | 0.082* | |
C59 | 0.1726 (2) | −0.00161 (15) | 0.14834 (15) | 0.0359 (6) | |
H59A | 0.2459 | 0.0078 | 0.1163 | 0.043* | |
C60 | 0.1586 (3) | −0.08352 (16) | 0.15017 (15) | 0.0396 (6) | |
H60A | 0.2210 | −0.1270 | 0.1191 | 0.047* | |
C61 | 0.0521 (2) | −0.10088 (15) | 0.19800 (15) | 0.0346 (6) | |
C62 | −0.0397 (3) | −0.03106 (16) | 0.23919 (16) | 0.0394 (6) | |
H62A | −0.1148 | −0.0383 | 0.2707 | 0.047* | |
C63 | −0.0198 (2) | 0.04895 (16) | 0.23348 (15) | 0.0358 (6) | |
H63A | −0.0834 | 0.0947 | 0.2612 | 0.043* | |
C64 | 0.1127 (4) | −0.3394 (2) | 0.1692 (2) | 0.0668 (11) | |
H64A | 0.1675 | −0.3821 | 0.1345 | 0.080* | |
C65 | 0.1195 (4) | −0.25522 (18) | 0.15470 (18) | 0.0581 (9) | |
H65A | 0.1759 | −0.2421 | 0.1106 | 0.070* | |
C66 | 0.0414 (3) | −0.19047 (16) | 0.20662 (17) | 0.0408 (7) | |
C67 | −0.0427 (3) | −0.21453 (19) | 0.2695 (2) | 0.0572 (9) | |
H67A | −0.0977 | −0.1736 | 0.3058 | 0.069* | |
C68 | −0.0440 (3) | −0.3001 (2) | 0.2780 (3) | 0.0688 (11) | |
H68A | −0.1024 | −0.3147 | 0.3201 | 0.083* | |
O1W | 0.08706 (17) | 0.45800 (11) | 0.25422 (11) | 0.0358 (4) | |
O1 | 0.31122 (18) | 0.33502 (12) | 0.41166 (10) | 0.0428 (4) | |
O2W | 0.32368 (16) | 0.11269 (11) | 0.21589 (12) | 0.0370 (4) | |
O2 | 0.13729 (16) | 0.43112 (11) | 0.40150 (10) | 0.0363 (4) | |
O3 | 0.3302 (2) | 0.73175 (14) | 0.51198 (14) | 0.0615 (6) | |
H3B | 0.2720 | 0.7699 | 0.5379 | 0.061 (11)* | |
O3W | 0.5567 (2) | 0.76698 (14) | 0.49124 (13) | 0.0546 (5) | |
O4 | 0.49442 (16) | 0.32416 (11) | 0.26346 (12) | 0.0428 (5) | |
O5 | 0.41195 (15) | 0.21883 (10) | 0.27596 (11) | 0.0363 (4) | |
O6 | 0.6236 (2) | −0.16704 (12) | 0.35244 (11) | 0.0555 (6) | |
H6B | 0.5966 | −0.1750 | 0.3984 | 0.083* | |
O7 | 0.35201 (18) | 0.39913 (12) | 0.14945 (10) | 0.0424 (5) | |
O8 | 0.25644 (15) | 0.30037 (10) | 0.16668 (9) | 0.0288 (4) | |
O9 | 0.16591 (19) | 0.71256 (12) | −0.05939 (12) | 0.0521 (5) | |
H9A | 0.0951 | 0.7267 | −0.0646 | 0.078* | |
O10 | 0.14384 (15) | 0.26908 (10) | 0.31314 (9) | 0.0278 (3) | |
O11 | 0.08268 (17) | 0.15277 (11) | 0.33518 (10) | 0.0347 (4) | |
O12 | 0.14160 (18) | −0.12619 (11) | 0.58221 (11) | 0.0429 (4) | |
H12A | 0.0698 | −0.1267 | 0.6050 | 0.064* | |
O13 | −0.01518 (15) | 0.35165 (10) | 0.20656 (11) | 0.0352 (4) | |
O14 | −0.09143 (16) | 0.24329 (10) | 0.24589 (11) | 0.0392 (4) | |
O15 | −0.2902 (2) | 0.74396 (11) | 0.22045 (12) | 0.0506 (5) | |
H15C | −0.3167 | 0.7674 | 0.2620 | 0.076* | |
O16 | 0.25855 (16) | 0.15612 (11) | 0.07111 (10) | 0.0369 (4) | |
O17 | 0.06366 (18) | 0.22777 (12) | 0.07857 (10) | 0.0445 (5) | |
O18 | 0.3458 (2) | −0.21560 (13) | −0.05106 (15) | 0.0680 (7) | |
H18B | 0.2894 | −0.2331 | −0.0545 | 0.102* | |
H2WA | 0.372 (3) | 0.131 (2) | 0.231 (2) | 0.102* | |
H2WB | 0.362 (3) | 0.0595 (12) | 0.211 (2) | 0.102* | |
H3WB | 0.499 (3) | 0.746 (2) | 0.495 (2) | 0.102* | |
H1WA | 0.036 (3) | 0.441 (2) | 0.243 (2) | 0.102* | |
H1WB | 0.059 (4) | 0.5121 (11) | 0.250 (2) | 0.102* | |
H3WA | 0.595 (3) | 0.736 (2) | 0.521 (2) | 0.102* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Dy1 | 0.02541 (6) | 0.01619 (6) | 0.02990 (6) | −0.00870 (4) | −0.01104 (5) | 0.00238 (4) |
Dy2 | 0.02400 (6) | 0.01511 (6) | 0.03053 (6) | −0.00689 (4) | −0.00989 (5) | 0.00033 (4) |
N1 | 0.0316 (11) | 0.0229 (10) | 0.0412 (12) | −0.0107 (9) | −0.0127 (9) | 0.0007 (9) |
N2 | 0.0572 (17) | 0.0303 (14) | 0.113 (3) | −0.0220 (13) | −0.0433 (17) | 0.0180 (15) |
N3 | 0.0358 (11) | 0.0207 (10) | 0.0347 (11) | −0.0091 (9) | −0.0125 (9) | 0.0008 (8) |
N4 | 0.080 (2) | 0.0295 (14) | 0.109 (3) | −0.0250 (14) | −0.0667 (19) | 0.0163 (15) |
C1 | 0.0360 (14) | 0.0354 (14) | 0.0297 (13) | −0.0123 (11) | −0.0120 (11) | −0.0007 (10) |
C2 | 0.0363 (15) | 0.0406 (15) | 0.0425 (15) | −0.0079 (12) | −0.0051 (12) | −0.0116 (12) |
C3 | 0.0315 (14) | 0.0498 (17) | 0.0499 (17) | −0.0167 (13) | −0.0014 (12) | −0.0066 (13) |
C4 | 0.0352 (14) | 0.0378 (15) | 0.0501 (16) | −0.0137 (12) | −0.0147 (12) | −0.0023 (12) |
C5 | 0.0361 (15) | 0.0361 (15) | 0.0560 (18) | −0.0064 (12) | −0.0075 (13) | −0.0132 (13) |
C6 | 0.0315 (14) | 0.0418 (15) | 0.0473 (16) | −0.0136 (12) | −0.0034 (12) | −0.0077 (12) |
C7 | 0.0495 (16) | 0.0371 (14) | 0.0320 (14) | −0.0186 (13) | −0.0098 (12) | 0.0003 (11) |
C8 | 0.0418 (15) | 0.0311 (13) | 0.0313 (13) | −0.0224 (12) | −0.0086 (11) | 0.0024 (11) |
C9 | 0.0241 (12) | 0.0268 (13) | 0.0572 (17) | −0.0033 (10) | −0.0179 (12) | 0.0005 (12) |
C10 | 0.0626 (19) | 0.0301 (14) | 0.0484 (17) | −0.0058 (13) | −0.0245 (15) | −0.0098 (12) |
C11 | 0.066 (2) | 0.0342 (15) | 0.0357 (15) | −0.0094 (14) | −0.0166 (14) | −0.0007 (12) |
C12 | 0.0398 (15) | 0.0257 (13) | 0.0403 (15) | −0.0082 (11) | −0.0117 (12) | −0.0011 (11) |
C13 | 0.0581 (18) | 0.0318 (14) | 0.0360 (15) | −0.0127 (13) | −0.0115 (13) | −0.0064 (11) |
C14 | 0.0476 (16) | 0.0343 (14) | 0.0378 (15) | −0.0111 (12) | −0.0123 (12) | 0.0038 (11) |
C15 | 0.0361 (15) | 0.0270 (14) | 0.081 (2) | −0.0085 (12) | −0.0280 (15) | 0.0048 (13) |
C16 | 0.0317 (13) | 0.0250 (13) | 0.0371 (14) | −0.0096 (11) | −0.0121 (11) | 0.0011 (10) |
C17 | 0.0662 (19) | 0.0366 (14) | 0.0268 (13) | −0.0283 (14) | −0.0182 (13) | 0.0029 (11) |
C18 | 0.0596 (19) | 0.0584 (19) | 0.0303 (14) | −0.0405 (16) | −0.0086 (13) | 0.0025 (13) |
C19 | 0.0410 (16) | 0.0537 (18) | 0.0385 (15) | −0.0190 (14) | −0.0113 (12) | −0.0067 (13) |
C20 | 0.0465 (16) | 0.0329 (14) | 0.0376 (14) | −0.0170 (12) | −0.0210 (12) | 0.0004 (11) |
C21 | 0.0404 (15) | 0.0343 (14) | 0.0466 (16) | −0.0203 (12) | −0.0161 (12) | 0.0065 (12) |
C22 | 0.0466 (16) | 0.0376 (15) | 0.0442 (16) | −0.0166 (13) | −0.0204 (13) | 0.0047 (12) |
C23 | 0.100 (3) | 0.0373 (16) | 0.0362 (16) | −0.0348 (17) | −0.0258 (16) | 0.0069 (12) |
C24 | 0.0380 (14) | 0.0241 (12) | 0.0311 (13) | −0.0124 (11) | −0.0101 (11) | 0.0032 (10) |
C25 | 0.0525 (16) | 0.0334 (14) | 0.0334 (14) | −0.0230 (13) | −0.0216 (12) | 0.0079 (11) |
C26 | 0.0452 (15) | 0.0328 (14) | 0.0393 (15) | −0.0098 (12) | −0.0134 (12) | 0.0013 (11) |
C27 | 0.0452 (16) | 0.0400 (15) | 0.0330 (14) | −0.0185 (13) | −0.0080 (12) | 0.0058 (11) |
C28 | 0.0406 (14) | 0.0315 (13) | 0.0344 (14) | −0.0185 (12) | −0.0175 (11) | 0.0091 (10) |
C29 | 0.0387 (15) | 0.0363 (14) | 0.0409 (15) | −0.0117 (12) | −0.0112 (12) | 0.0046 (12) |
C30 | 0.0424 (15) | 0.0472 (16) | 0.0357 (14) | −0.0244 (13) | −0.0106 (12) | 0.0101 (12) |
C31 | 0.0684 (19) | 0.0347 (14) | 0.0409 (15) | −0.0296 (14) | −0.0280 (14) | 0.0104 (12) |
C32 | 0.0281 (12) | 0.0219 (12) | 0.0317 (13) | −0.0084 (10) | −0.0082 (10) | 0.0039 (10) |
C33 | 0.0215 (12) | 0.0238 (12) | 0.0395 (14) | −0.0030 (10) | −0.0102 (10) | −0.0033 (10) |
C34 | 0.0367 (14) | 0.0305 (13) | 0.0336 (14) | −0.0049 (11) | −0.0067 (11) | −0.0105 (11) |
C35 | 0.0440 (15) | 0.0349 (14) | 0.0330 (14) | −0.0137 (12) | −0.0090 (12) | 0.0028 (11) |
C36 | 0.0353 (14) | 0.0237 (12) | 0.0446 (15) | −0.0074 (11) | −0.0174 (12) | −0.0019 (11) |
C37 | 0.0436 (15) | 0.0303 (13) | 0.0346 (14) | −0.0045 (12) | −0.0112 (12) | −0.0095 (11) |
C38 | 0.0362 (14) | 0.0309 (13) | 0.0320 (13) | −0.0036 (11) | −0.0079 (11) | −0.0012 (10) |
C39 | 0.0282 (13) | 0.0245 (12) | 0.0505 (16) | −0.0069 (10) | −0.0105 (11) | −0.0021 (11) |
C40 | 0.0298 (13) | 0.0229 (12) | 0.0328 (13) | −0.0067 (10) | −0.0113 (10) | −0.0038 (10) |
C41 | 0.0508 (16) | 0.0336 (14) | 0.0250 (13) | −0.0145 (12) | −0.0079 (11) | −0.0012 (10) |
C42 | 0.0438 (16) | 0.0403 (15) | 0.0358 (14) | −0.0203 (13) | −0.0086 (12) | 0.0000 (11) |
C43 | 0.0429 (16) | 0.0384 (15) | 0.0438 (16) | −0.0108 (13) | −0.0109 (12) | −0.0010 (12) |
C44 | 0.0531 (18) | 0.0349 (15) | 0.0426 (16) | −0.0171 (13) | −0.0085 (13) | −0.0033 (12) |
C45 | 0.0504 (18) | 0.0497 (17) | 0.0468 (17) | −0.0268 (15) | −0.0096 (13) | −0.0060 (13) |
C46 | 0.0411 (15) | 0.0460 (16) | 0.0404 (15) | −0.0110 (13) | −0.0104 (12) | −0.0069 (12) |
C47 | 0.0585 (18) | 0.0351 (15) | 0.0321 (14) | −0.0100 (13) | −0.0132 (13) | −0.0002 (11) |
C48 | 0.0498 (16) | 0.0201 (12) | 0.0311 (13) | −0.0137 (12) | −0.0118 (12) | 0.0037 (10) |
C49 | 0.0341 (14) | 0.0262 (13) | 0.0423 (15) | −0.0123 (11) | −0.0106 (11) | 0.0023 (11) |
C50 | 0.0378 (14) | 0.0241 (12) | 0.0437 (15) | −0.0085 (11) | −0.0131 (12) | −0.0028 (11) |
C51 | 0.0375 (14) | 0.0220 (12) | 0.0494 (15) | −0.0111 (11) | −0.0228 (12) | 0.0039 (11) |
C52 | 0.0285 (13) | 0.0287 (14) | 0.0617 (18) | −0.0124 (11) | −0.0095 (12) | 0.0031 (12) |
C53 | 0.0312 (14) | 0.0229 (13) | 0.0561 (17) | −0.0082 (11) | −0.0089 (12) | −0.0036 (11) |
C54 | 0.0450 (19) | 0.0388 (18) | 0.116 (3) | −0.0196 (15) | −0.0111 (19) | 0.023 (2) |
C55 | 0.0424 (17) | 0.0312 (15) | 0.085 (2) | −0.0126 (13) | −0.0014 (16) | 0.0041 (15) |
C56 | 0.0383 (15) | 0.0259 (13) | 0.0629 (18) | −0.0146 (12) | −0.0260 (13) | 0.0072 (12) |
C57 | 0.095 (3) | 0.0369 (16) | 0.058 (2) | −0.0314 (17) | −0.0324 (18) | 0.0020 (14) |
C58 | 0.107 (3) | 0.0357 (17) | 0.087 (3) | −0.0317 (19) | −0.052 (2) | 0.0004 (17) |
C59 | 0.0408 (15) | 0.0258 (13) | 0.0389 (15) | −0.0121 (11) | −0.0075 (12) | 0.0027 (11) |
C60 | 0.0511 (17) | 0.0236 (13) | 0.0429 (15) | −0.0077 (12) | −0.0149 (13) | −0.0028 (11) |
C61 | 0.0461 (15) | 0.0247 (12) | 0.0449 (15) | −0.0149 (11) | −0.0279 (13) | 0.0059 (11) |
C62 | 0.0369 (14) | 0.0303 (14) | 0.0545 (17) | −0.0153 (12) | −0.0135 (13) | 0.0019 (12) |
C63 | 0.0359 (14) | 0.0229 (12) | 0.0501 (16) | −0.0105 (11) | −0.0121 (12) | −0.0024 (11) |
C64 | 0.123 (3) | 0.0313 (16) | 0.071 (2) | −0.0256 (19) | −0.061 (2) | 0.0007 (15) |
C65 | 0.109 (3) | 0.0319 (15) | 0.0502 (18) | −0.0292 (17) | −0.0403 (19) | 0.0036 (13) |
C66 | 0.0529 (17) | 0.0241 (13) | 0.0626 (18) | −0.0169 (12) | −0.0380 (15) | 0.0066 (12) |
C67 | 0.0402 (17) | 0.0330 (16) | 0.102 (3) | −0.0161 (13) | −0.0255 (17) | 0.0126 (16) |
C68 | 0.051 (2) | 0.0351 (18) | 0.131 (3) | −0.0234 (16) | −0.040 (2) | 0.026 (2) |
O1W | 0.0391 (10) | 0.0197 (8) | 0.0547 (11) | −0.0077 (8) | −0.0242 (9) | 0.0012 (8) |
O1 | 0.0491 (12) | 0.0382 (10) | 0.0401 (10) | −0.0050 (9) | −0.0184 (9) | −0.0056 (8) |
O2W | 0.0348 (10) | 0.0197 (8) | 0.0618 (12) | −0.0053 (8) | −0.0242 (9) | −0.0009 (8) |
O2 | 0.0367 (10) | 0.0388 (10) | 0.0366 (10) | −0.0148 (8) | −0.0117 (8) | −0.0001 (8) |
O3 | 0.0478 (13) | 0.0442 (12) | 0.0935 (17) | −0.0235 (11) | −0.0068 (12) | −0.0142 (12) |
O3W | 0.0581 (14) | 0.0522 (13) | 0.0582 (14) | −0.0221 (11) | −0.0242 (11) | 0.0174 (10) |
O4 | 0.0319 (10) | 0.0231 (9) | 0.0745 (14) | −0.0104 (8) | −0.0184 (9) | 0.0097 (9) |
O5 | 0.0305 (9) | 0.0226 (8) | 0.0628 (12) | −0.0070 (7) | −0.0236 (8) | −0.0032 (8) |
O6 | 0.0925 (17) | 0.0303 (10) | 0.0436 (12) | −0.0255 (11) | −0.0118 (11) | −0.0006 (8) |
O7 | 0.0604 (12) | 0.0465 (11) | 0.0356 (10) | −0.0384 (10) | −0.0140 (9) | 0.0052 (8) |
O8 | 0.0320 (9) | 0.0209 (8) | 0.0345 (9) | −0.0122 (7) | −0.0081 (7) | 0.0036 (7) |
O9 | 0.0557 (13) | 0.0344 (11) | 0.0765 (15) | −0.0148 (9) | −0.0360 (11) | 0.0091 (10) |
O10 | 0.0315 (9) | 0.0218 (8) | 0.0327 (9) | −0.0134 (7) | −0.0095 (7) | 0.0058 (7) |
O11 | 0.0475 (11) | 0.0329 (9) | 0.0352 (10) | −0.0261 (8) | −0.0163 (8) | 0.0074 (7) |
O12 | 0.0459 (11) | 0.0328 (10) | 0.0499 (11) | −0.0183 (9) | −0.0109 (9) | 0.0112 (8) |
O13 | 0.0264 (9) | 0.0215 (8) | 0.0601 (12) | −0.0075 (7) | −0.0148 (8) | −0.0033 (8) |
O14 | 0.0302 (9) | 0.0203 (9) | 0.0609 (12) | −0.0057 (7) | −0.0076 (8) | 0.0021 (8) |
O15 | 0.0744 (14) | 0.0247 (9) | 0.0566 (13) | −0.0160 (9) | −0.0232 (11) | −0.0013 (8) |
O16 | 0.0381 (10) | 0.0348 (10) | 0.0402 (10) | −0.0130 (8) | −0.0111 (8) | −0.0046 (8) |
O17 | 0.0467 (11) | 0.0412 (11) | 0.0386 (10) | 0.0034 (9) | −0.0179 (9) | −0.0070 (8) |
O18 | 0.0727 (16) | 0.0322 (11) | 0.1045 (19) | −0.0179 (11) | −0.0302 (14) | −0.0027 (11) |
Dy1—O1W | 2.3851 (16) | C28—O12 | 1.375 (3) |
Dy1—O5 | 2.3875 (16) | C28—C29 | 1.384 (4) |
Dy1—O10 | 2.3910 (15) | C29—C30 | 1.377 (4) |
Dy1—O4 | 2.3970 (17) | C29—H29A | 0.9300 |
Dy1—O2 | 2.4045 (17) | C30—H30A | 0.9300 |
Dy1—O7 | 2.4207 (17) | C31—C32 | 1.501 (3) |
Dy1—O1 | 2.5163 (18) | C31—H31A | 0.9700 |
Dy1—N1 | 2.5415 (19) | C31—H31B | 0.9700 |
Dy1—O8 | 2.5555 (16) | C32—O11 | 1.251 (3) |
Dy1—C16 | 2.750 (2) | C32—O10 | 1.276 (3) |
Dy1—C8 | 2.833 (2) | C33—C38 | 1.379 (3) |
Dy1—C24 | 2.857 (2) | C33—C34 | 1.388 (3) |
Dy2—O8 | 2.3395 (15) | C33—C39 | 1.504 (3) |
Dy2—O14 | 2.3800 (17) | C34—C35 | 1.371 (3) |
Dy2—O2W | 2.3868 (16) | C34—H34A | 0.9300 |
Dy2—O13 | 2.4013 (16) | C35—C36 | 1.382 (4) |
Dy2—O16 | 2.4155 (17) | C35—H35A | 0.9300 |
Dy2—O17 | 2.4950 (18) | C36—O15 | 1.364 (3) |
Dy2—O10 | 2.5210 (16) | C36—C37 | 1.377 (4) |
Dy2—O11 | 2.5495 (16) | C37—C38 | 1.385 (3) |
Dy2—N3 | 2.5631 (19) | C37—H37A | 0.9300 |
Dy2—C40 | 2.766 (2) | C38—H38A | 0.9300 |
Dy2—C48 | 2.833 (2) | C39—C40 | 1.501 (3) |
Dy2—C32 | 2.913 (2) | C39—H39A | 0.9700 |
N1—C49 | 1.335 (3) | C39—H39B | 0.9700 |
N1—C53 | 1.340 (3) | C40—O14 | 1.259 (3) |
N2—C58 | 1.312 (5) | C40—O13 | 1.263 (3) |
N2—C54 | 1.328 (5) | C41—C46 | 1.384 (4) |
N3—C59 | 1.332 (3) | C41—C42 | 1.389 (4) |
N3—C63 | 1.341 (3) | C41—C47 | 1.515 (4) |
N4—C64 | 1.325 (5) | C42—C43 | 1.377 (4) |
N4—C68 | 1.329 (5) | C42—H42A | 0.9300 |
C1—C2 | 1.375 (4) | C43—C44 | 1.378 (4) |
C1—C6 | 1.390 (4) | C43—H43A | 0.9300 |
C1—C7 | 1.517 (3) | C44—O18 | 1.368 (3) |
C2—C3 | 1.383 (4) | C44—C45 | 1.380 (4) |
C2—H2A | 0.9300 | C45—C46 | 1.384 (4) |
C3—C4 | 1.377 (4) | C45—H45A | 0.9300 |
C3—H3A | 0.9300 | C46—H46A | 0.9300 |
C4—O3 | 1.373 (3) | C47—C48 | 1.510 (3) |
C4—C5 | 1.374 (4) | C47—H47A | 0.9700 |
C5—C6 | 1.381 (4) | C47—H47B | 0.9700 |
C5—H5A | 0.9300 | C48—O16 | 1.255 (3) |
C6—H6A | 0.9300 | C48—O17 | 1.266 (3) |
C7—C8 | 1.511 (3) | C49—C50 | 1.383 (3) |
C7—H7A | 0.9700 | C49—H49A | 0.9300 |
C7—H7B | 0.9700 | C50—C51 | 1.384 (4) |
C8—O2 | 1.260 (3) | C50—H50A | 0.9300 |
C8—O1 | 1.261 (3) | C51—C52 | 1.388 (4) |
C9—C10 | 1.373 (4) | C51—C56 | 1.486 (3) |
C9—C14 | 1.387 (4) | C52—C53 | 1.371 (3) |
C9—C15 | 1.501 (3) | C52—H52A | 0.9300 |
C10—C11 | 1.383 (4) | C53—H53A | 0.9300 |
C10—H10A | 0.9300 | C54—C55 | 1.384 (4) |
C11—C12 | 1.372 (4) | C54—H54A | 0.9300 |
C11—H11A | 0.9300 | C55—C56 | 1.379 (4) |
C12—C13 | 1.371 (4) | C55—H55A | 0.9300 |
C12—O6 | 1.373 (3) | C56—C57 | 1.381 (4) |
C13—C14 | 1.370 (4) | C57—C58 | 1.382 (4) |
C13—H13A | 0.9300 | C57—H57A | 0.9300 |
C14—H14A | 0.9300 | C58—H58A | 0.9300 |
C15—C16 | 1.502 (3) | C59—C60 | 1.385 (3) |
C15—H15A | 0.9700 | C59—H59A | 0.9300 |
C15—H15B | 0.9700 | C60—C61 | 1.383 (4) |
C16—O4 | 1.248 (3) | C60—H60A | 0.9300 |
C16—O5 | 1.267 (3) | C61—C62 | 1.388 (4) |
C17—C22 | 1.384 (4) | C61—C66 | 1.485 (3) |
C17—C18 | 1.388 (4) | C62—C63 | 1.378 (3) |
C17—C23 | 1.507 (4) | C62—H62A | 0.9300 |
C18—C19 | 1.384 (4) | C63—H63A | 0.9300 |
C18—H18A | 0.9300 | C64—C65 | 1.385 (4) |
C19—C20 | 1.381 (4) | C64—H64A | 0.9300 |
C19—H19A | 0.9300 | C65—C66 | 1.389 (4) |
C20—O9 | 1.372 (3) | C65—H65A | 0.9300 |
C20—C21 | 1.377 (4) | C66—C67 | 1.384 (4) |
C21—C22 | 1.375 (4) | C67—C68 | 1.384 (4) |
C21—H21A | 0.9300 | C67—H67A | 0.9300 |
C22—H22A | 0.9300 | C68—H68A | 0.9300 |
C23—C24 | 1.506 (3) | O1W—H1WA | 0.82 (4) |
C23—H23A | 0.9700 | O1W—H1WB | 0.836 (18) |
C23—H23B | 0.9700 | O2W—H2WA | 0.84 (4) |
C24—O7 | 1.239 (3) | O2W—H2WB | 0.835 (18) |
C24—O8 | 1.274 (3) | O3—H3B | 0.8200 |
C25—C30 | 1.380 (4) | O3W—H3WB | 0.83 (4) |
C25—C26 | 1.389 (4) | O3W—H3WA | 0.84 (4) |
C25—C31 | 1.509 (3) | O6—H6B | 0.8200 |
C26—C27 | 1.387 (4) | O9—H9A | 0.8200 |
C26—H26A | 0.9300 | O12—H12A | 0.8200 |
C27—C28 | 1.372 (4) | O15—H15C | 0.8200 |
C27—H27A | 0.9300 | O18—H18B | 0.8200 |
O1W—Dy1—O5 | 145.49 (6) | C17—C18—H18A | 119.3 |
O1W—Dy1—O10 | 79.76 (6) | C20—C19—C18 | 119.8 (3) |
O5—Dy1—O10 | 73.51 (5) | C20—C19—H19A | 120.1 |
O1W—Dy1—O4 | 149.48 (6) | C18—C19—H19A | 120.1 |
O5—Dy1—O4 | 54.16 (5) | O9—C20—C21 | 118.1 (2) |
O10—Dy1—O4 | 127.33 (5) | O9—C20—C19 | 122.3 (2) |
O1W—Dy1—O2 | 74.64 (6) | C21—C20—C19 | 119.6 (2) |
O5—Dy1—O2 | 122.73 (6) | C20—C21—C22 | 120.2 (2) |
O10—Dy1—O2 | 84.12 (6) | C20—C21—H21A | 119.9 |
O4—Dy1—O2 | 117.40 (6) | C22—C21—H21A | 119.9 |
O1W—Dy1—O7 | 77.93 (7) | C21—C22—C17 | 121.5 (3) |
O5—Dy1—O7 | 95.15 (7) | C21—C22—H22A | 119.2 |
O10—Dy1—O7 | 117.23 (5) | C17—C22—H22A | 119.2 |
O4—Dy1—O7 | 76.64 (7) | C24—C23—C17 | 112.0 (2) |
O2—Dy1—O7 | 141.29 (6) | C24—C23—H23A | 109.2 |
O1W—Dy1—O1 | 127.01 (6) | C17—C23—H23A | 109.2 |
O5—Dy1—O1 | 75.50 (6) | C24—C23—H23B | 109.2 |
O10—Dy1—O1 | 90.94 (6) | C17—C23—H23B | 109.2 |
O4—Dy1—O1 | 72.16 (7) | H23A—C23—H23B | 107.9 |
O2—Dy1—O1 | 52.47 (6) | O7—C24—O8 | 120.1 (2) |
O7—Dy1—O1 | 146.87 (6) | O7—C24—C23 | 120.6 (2) |
O1W—Dy1—N1 | 81.08 (6) | O8—C24—C23 | 119.3 (2) |
O5—Dy1—N1 | 130.28 (6) | O7—C24—Dy1 | 57.19 (12) |
O10—Dy1—N1 | 154.16 (6) | O8—C24—Dy1 | 63.46 (12) |
O4—Dy1—N1 | 76.27 (6) | C23—C24—Dy1 | 171.76 (19) |
O2—Dy1—N1 | 74.17 (6) | C30—C25—C26 | 118.1 (2) |
O7—Dy1—N1 | 75.04 (6) | C30—C25—C31 | 120.0 (2) |
O1—Dy1—N1 | 86.87 (6) | C26—C25—C31 | 121.8 (3) |
O1W—Dy1—O8 | 73.66 (6) | C27—C26—C25 | 120.9 (3) |
O5—Dy1—O8 | 75.63 (5) | C27—C26—H26A | 119.5 |
O10—Dy1—O8 | 65.72 (5) | C25—C26—H26A | 119.5 |
O4—Dy1—O8 | 102.81 (6) | C28—C27—C26 | 119.8 (2) |
O2—Dy1—O8 | 139.32 (5) | C28—C27—H27A | 120.1 |
O7—Dy1—O8 | 51.83 (5) | C26—C27—H27A | 120.1 |
O1—Dy1—O8 | 147.02 (5) | O12—C28—C27 | 122.4 (2) |
N1—Dy1—O8 | 124.37 (6) | O12—C28—C29 | 117.6 (2) |
O1W—Dy1—C16 | 163.52 (7) | C27—C28—C29 | 120.0 (2) |
O5—Dy1—C16 | 27.39 (6) | C30—C29—C28 | 119.7 (3) |
O10—Dy1—C16 | 100.39 (6) | C30—C29—H29A | 120.1 |
O4—Dy1—C16 | 26.95 (6) | C28—C29—H29A | 120.1 |
O2—Dy1—C16 | 121.84 (7) | C25—C30—C29 | 121.4 (2) |
O7—Dy1—C16 | 87.57 (7) | C25—C30—H30A | 119.3 |
O1—Dy1—C16 | 69.43 (7) | C29—C30—H30A | 119.3 |
N1—Dy1—C16 | 102.89 (7) | C32—C31—C25 | 114.8 (2) |
O8—Dy1—C16 | 91.27 (6) | C32—C31—H31A | 108.6 |
O1W—Dy1—C8 | 100.85 (7) | C25—C31—H31A | 108.6 |
O5—Dy1—C8 | 100.38 (7) | C32—C31—H31B | 108.6 |
O10—Dy1—C8 | 89.57 (6) | C25—C31—H31B | 108.6 |
O4—Dy1—C8 | 93.85 (7) | H31A—C31—H31B | 107.5 |
O2—Dy1—C8 | 26.23 (7) | O11—C32—O10 | 119.3 (2) |
O7—Dy1—C8 | 152.05 (6) | O11—C32—C31 | 122.9 (2) |
O1—Dy1—C8 | 26.43 (6) | O10—C32—C31 | 117.8 (2) |
N1—Dy1—C8 | 77.19 (7) | O11—C32—Dy2 | 60.85 (12) |
O8—Dy1—C8 | 155.18 (6) | O10—C32—Dy2 | 59.63 (12) |
C16—Dy1—C8 | 95.63 (7) | C31—C32—Dy2 | 168.86 (18) |
O1W—Dy1—C24 | 72.21 (7) | C38—C33—C34 | 117.6 (2) |
O5—Dy1—C24 | 87.01 (7) | C38—C33—C39 | 121.5 (2) |
O10—Dy1—C24 | 91.77 (6) | C34—C33—C39 | 121.0 (2) |
O4—Dy1—C24 | 91.16 (7) | C35—C34—C33 | 121.7 (2) |
O2—Dy1—C24 | 146.80 (6) | C35—C34—H34A | 119.2 |
O7—Dy1—C24 | 25.48 (6) | C33—C34—H34A | 119.2 |
O1—Dy1—C24 | 160.73 (7) | C34—C35—C36 | 120.0 (2) |
N1—Dy1—C24 | 98.72 (7) | C34—C35—H35A | 120.0 |
O8—Dy1—C24 | 26.50 (6) | C36—C35—H35A | 120.0 |
C16—Dy1—C24 | 91.33 (7) | O15—C36—C37 | 122.9 (2) |
C8—Dy1—C24 | 172.56 (7) | O15—C36—C35 | 117.6 (2) |
O8—Dy2—O14 | 128.78 (5) | C37—C36—C35 | 119.5 (2) |
O8—Dy2—O2W | 78.63 (6) | C36—C37—C38 | 119.9 (2) |
O14—Dy2—O2W | 143.23 (6) | C36—C37—H37A | 120.1 |
O8—Dy2—O13 | 75.24 (5) | C38—C37—H37A | 120.1 |
O14—Dy2—O13 | 54.16 (5) | C33—C38—C37 | 121.4 (2) |
O2W—Dy2—O13 | 147.93 (6) | C33—C38—H38A | 119.3 |
O8—Dy2—O16 | 80.48 (6) | C37—C38—H38A | 119.3 |
O14—Dy2—O16 | 127.09 (6) | C40—C39—C33 | 115.6 (2) |
O2W—Dy2—O16 | 75.56 (6) | C40—C39—H39A | 108.4 |
O13—Dy2—O16 | 117.35 (6) | C33—C39—H39A | 108.4 |
O8—Dy2—O17 | 98.92 (6) | C40—C39—H39B | 108.4 |
O14—Dy2—O17 | 77.53 (6) | C33—C39—H39B | 108.4 |
O2W—Dy2—O17 | 127.28 (6) | H39A—C39—H39B | 107.4 |
O13—Dy2—O17 | 75.51 (6) | O14—C40—O13 | 119.3 (2) |
O16—Dy2—O17 | 52.51 (6) | O14—C40—C39 | 118.9 (2) |
O8—Dy2—O10 | 67.01 (5) | O13—C40—C39 | 121.8 (2) |
O14—Dy2—O10 | 91.14 (6) | O14—C40—Dy2 | 59.17 (12) |
O2W—Dy2—O10 | 77.11 (6) | O13—C40—Dy2 | 60.15 (12) |
O13—Dy2—O10 | 75.78 (5) | C39—C40—Dy2 | 176.88 (17) |
O16—Dy2—O10 | 140.85 (5) | C46—C41—C42 | 117.4 (2) |
O17—Dy2—O10 | 150.47 (5) | C46—C41—C47 | 120.6 (3) |
O8—Dy2—O11 | 115.47 (5) | C42—C41—C47 | 122.0 (2) |
O14—Dy2—O11 | 72.89 (6) | C43—C42—C41 | 121.8 (3) |
O2W—Dy2—O11 | 72.74 (6) | C43—C42—H42A | 119.1 |
O13—Dy2—O11 | 102.26 (6) | C41—C42—H42A | 119.1 |
O16—Dy2—O11 | 140.17 (6) | C42—C43—C44 | 119.8 (3) |
O17—Dy2—O11 | 144.01 (6) | C42—C43—H43A | 120.1 |
O10—Dy2—O11 | 50.94 (5) | C44—C43—H43A | 120.1 |
O8—Dy2—N3 | 153.98 (6) | O18—C44—C43 | 117.7 (3) |
O14—Dy2—N3 | 76.04 (6) | O18—C44—C45 | 122.7 (3) |
O2W—Dy2—N3 | 83.47 (6) | C43—C44—C45 | 119.6 (3) |
O13—Dy2—N3 | 126.95 (6) | C44—C45—C46 | 120.0 (3) |
O16—Dy2—N3 | 76.84 (6) | C44—C45—H45A | 120.0 |
O17—Dy2—N3 | 77.16 (6) | C46—C45—H45A | 120.0 |
O10—Dy2—N3 | 126.89 (5) | C41—C46—C45 | 121.4 (3) |
O11—Dy2—N3 | 76.19 (6) | C41—C46—H46A | 119.3 |
O8—Dy2—C40 | 102.16 (6) | C45—C46—H46A | 119.3 |
O14—Dy2—C40 | 27.02 (6) | C48—C47—C41 | 111.7 (2) |
O2W—Dy2—C40 | 158.16 (7) | C48—C47—H47A | 109.3 |
O13—Dy2—C40 | 27.15 (6) | C41—C47—H47A | 109.3 |
O16—Dy2—C40 | 126.26 (6) | C48—C47—H47B | 109.3 |
O17—Dy2—C40 | 74.43 (6) | C41—C47—H47B | 109.3 |
O10—Dy2—C40 | 83.12 (6) | H47A—C47—H47B | 107.9 |
O11—Dy2—C40 | 87.66 (6) | O16—C48—O17 | 119.2 (2) |
N3—Dy2—C40 | 101.47 (6) | O16—C48—C47 | 120.1 (2) |
O8—Dy2—C48 | 91.51 (6) | O17—C48—C47 | 120.8 (2) |
O14—Dy2—C48 | 101.99 (7) | O16—C48—Dy2 | 58.01 (13) |
O2W—Dy2—C48 | 100.92 (7) | O17—C48—Dy2 | 61.67 (13) |
O13—Dy2—C48 | 98.06 (7) | C47—C48—Dy2 | 171.73 (16) |
O16—Dy2—C48 | 26.14 (7) | N1—C49—C50 | 123.6 (2) |
O17—Dy2—C48 | 26.52 (7) | N1—C49—H49A | 118.2 |
O10—Dy2—C48 | 158.48 (6) | C50—C49—H49A | 118.2 |
O11—Dy2—C48 | 149.50 (6) | C51—C50—C49 | 119.4 (2) |
N3—Dy2—C48 | 73.42 (6) | C51—C50—H50A | 120.3 |
C40—Dy2—C48 | 100.87 (7) | C49—C50—H50A | 120.3 |
O8—Dy2—C32 | 90.63 (6) | C50—C51—C52 | 117.1 (2) |
O14—Dy2—C32 | 83.91 (7) | C50—C51—C56 | 121.1 (2) |
O2W—Dy2—C32 | 70.31 (7) | C52—C51—C56 | 121.8 (2) |
O13—Dy2—C32 | 91.58 (6) | C53—C52—C51 | 119.8 (2) |
O16—Dy2—C32 | 145.79 (6) | C53—C52—H52A | 120.1 |
O17—Dy2—C32 | 161.26 (6) | C51—C52—H52A | 120.1 |
O10—Dy2—C32 | 25.89 (5) | N1—C53—C52 | 123.6 (2) |
O11—Dy2—C32 | 25.37 (6) | N1—C53—H53A | 118.2 |
N3—Dy2—C32 | 101.00 (6) | C52—C53—H53A | 118.2 |
C40—Dy2—C32 | 87.85 (7) | N2—C54—C55 | 124.5 (3) |
C48—Dy2—C32 | 170.36 (7) | N2—C54—H54A | 117.8 |
C49—N1—C53 | 116.5 (2) | C55—C54—H54A | 117.8 |
C49—N1—Dy1 | 124.22 (16) | C56—C55—C54 | 119.0 (3) |
C53—N1—Dy1 | 118.95 (16) | C56—C55—H55A | 120.5 |
C58—N2—C54 | 115.6 (3) | C54—C55—H55A | 120.5 |
C59—N3—C63 | 116.4 (2) | C55—C56—C57 | 116.9 (3) |
C59—N3—Dy2 | 121.40 (16) | C55—C56—C51 | 121.0 (3) |
C63—N3—Dy2 | 121.92 (16) | C57—C56—C51 | 121.9 (3) |
C64—N4—C68 | 116.3 (3) | C56—C57—C58 | 119.1 (3) |
C2—C1—C6 | 117.8 (2) | C56—C57—H57A | 120.4 |
C2—C1—C7 | 122.6 (2) | C58—C57—H57A | 120.4 |
C6—C1—C7 | 119.6 (2) | N2—C58—C57 | 124.9 (3) |
C1—C2—C3 | 121.6 (2) | N2—C58—H58A | 117.6 |
C1—C2—H2A | 119.2 | C57—C58—H58A | 117.6 |
C3—C2—H2A | 119.2 | N3—C59—C60 | 123.3 (2) |
C4—C3—C2 | 119.8 (2) | N3—C59—H59A | 118.3 |
C4—C3—H3A | 120.1 | C60—C59—H59A | 118.3 |
C2—C3—H3A | 120.1 | C61—C60—C59 | 120.3 (2) |
O3—C4—C5 | 121.8 (2) | C61—C60—H60A | 119.8 |
O3—C4—C3 | 118.5 (2) | C59—C60—H60A | 119.8 |
C5—C4—C3 | 119.6 (2) | C60—C61—C62 | 116.2 (2) |
C4—C5—C6 | 120.1 (3) | C60—C61—C66 | 121.0 (2) |
C4—C5—H5A | 119.9 | C62—C61—C66 | 122.8 (2) |
C6—C5—H5A | 119.9 | C63—C62—C61 | 120.1 (2) |
C5—C6—C1 | 121.1 (2) | C63—C62—H62A | 119.9 |
C5—C6—H6A | 119.5 | C61—C62—H62A | 119.9 |
C1—C6—H6A | 119.5 | N3—C63—C62 | 123.5 (2) |
C8—C7—C1 | 111.2 (2) | N3—C63—H63A | 118.2 |
C8—C7—H7A | 109.4 | C62—C63—H63A | 118.2 |
C1—C7—H7A | 109.4 | N4—C64—C65 | 124.0 (3) |
C8—C7—H7B | 109.4 | N4—C64—H64A | 118.0 |
C1—C7—H7B | 109.4 | C65—C64—H64A | 118.0 |
H7A—C7—H7B | 108.0 | C64—C65—C66 | 119.4 (3) |
O2—C8—O1 | 119.5 (2) | C64—C65—H65A | 120.3 |
O2—C8—C7 | 119.6 (2) | C66—C65—H65A | 120.3 |
O1—C8—C7 | 120.9 (2) | C67—C66—C65 | 116.8 (3) |
O2—C8—Dy1 | 57.54 (13) | C67—C66—C61 | 121.1 (3) |
O1—C8—Dy1 | 62.64 (13) | C65—C66—C61 | 122.0 (3) |
C7—C8—Dy1 | 169.54 (16) | C66—C67—C68 | 119.3 (3) |
C10—C9—C14 | 117.2 (2) | C66—C67—H67A | 120.3 |
C10—C9—C15 | 122.2 (3) | C68—C67—H67A | 120.3 |
C14—C9—C15 | 120.6 (3) | N4—C68—C67 | 124.1 (4) |
C9—C10—C11 | 122.2 (3) | N4—C68—H68A | 118.0 |
C9—C10—H10A | 118.9 | C67—C68—H68A | 118.0 |
C11—C10—H10A | 118.9 | Dy1—O1W—H1WA | 124 (3) |
C12—C11—C10 | 119.3 (3) | Dy1—O1W—H1WB | 133 (3) |
C12—C11—H11A | 120.4 | H1WA—O1W—H1WB | 103 (2) |
C10—C11—H11A | 120.4 | C8—O1—Dy1 | 90.93 (15) |
C11—C12—C13 | 119.6 (2) | Dy2—O2W—H2WA | 122 (3) |
C11—C12—O6 | 122.6 (2) | Dy2—O2W—H2WB | 135 (3) |
C13—C12—O6 | 117.8 (2) | H2WA—O2W—H2WB | 103 (2) |
C14—C13—C12 | 120.5 (3) | C8—O2—Dy1 | 96.23 (15) |
C14—C13—H13A | 119.8 | C4—O3—H3B | 109.5 |
C12—C13—H13A | 119.8 | H3WB—O3W—H3WA | 103 (2) |
C13—C14—C9 | 121.3 (3) | C16—O4—Dy1 | 92.51 (14) |
C13—C14—H14A | 119.4 | C16—O5—Dy1 | 92.47 (13) |
C9—C14—H14A | 119.4 | C12—O6—H6B | 109.5 |
C9—C15—C16 | 115.7 (2) | C24—O7—Dy1 | 97.33 (14) |
C9—C15—H15A | 108.3 | C24—O8—Dy2 | 153.71 (16) |
C16—C15—H15A | 108.3 | C24—O8—Dy1 | 90.05 (14) |
C9—C15—H15B | 108.3 | Dy2—O8—Dy1 | 113.91 (6) |
C16—C15—H15B | 108.3 | C20—O9—H9A | 109.5 |
H15A—C15—H15B | 107.4 | C32—O10—Dy1 | 142.46 (15) |
O4—C16—O5 | 120.0 (2) | C32—O10—Dy2 | 94.48 (13) |
O4—C16—C15 | 119.6 (2) | Dy1—O10—Dy2 | 113.35 (6) |
O5—C16—C15 | 120.3 (2) | C32—O11—Dy2 | 93.79 (13) |
O4—C16—Dy1 | 60.53 (12) | C28—O12—H12A | 109.5 |
O5—C16—Dy1 | 60.14 (12) | C40—O13—Dy2 | 92.70 (13) |
C15—C16—Dy1 | 169.7 (2) | C40—O14—Dy2 | 93.81 (14) |
C22—C17—C18 | 117.6 (2) | C36—O15—H15C | 109.5 |
C22—C17—C23 | 121.6 (3) | C48—O16—Dy2 | 95.85 (15) |
C18—C17—C23 | 120.7 (3) | C48—O17—Dy2 | 91.81 (15) |
C19—C18—C17 | 121.3 (2) | C44—O18—H18B | 109.5 |
C19—C18—H18A | 119.3 | ||
O1W—Dy1—N1—C49 | 51.33 (19) | O2W—Dy2—C48—O17 | 174.16 (14) |
O5—Dy1—N1—C49 | −144.87 (18) | O13—Dy2—C48—O17 | −31.82 (15) |
O10—Dy1—N1—C49 | 8.8 (3) | O16—Dy2—C48—O17 | −171.7 (2) |
O4—Dy1—N1—C49 | −149.3 (2) | O10—Dy2—C48—O17 | −103.3 (2) |
O2—Dy1—N1—C49 | −25.12 (18) | O11—Dy2—C48—O17 | 99.69 (18) |
O7—Dy1—N1—C49 | 131.1 (2) | N3—Dy2—C48—O17 | 94.43 (15) |
O1—Dy1—N1—C49 | −76.90 (19) | C40—Dy2—C48—O17 | −4.43 (16) |
O8—Dy1—N1—C49 | 114.43 (19) | C53—N1—C49—C50 | 1.4 (4) |
C16—Dy1—N1—C49 | −144.97 (19) | Dy1—N1—C49—C50 | −172.38 (19) |
C8—Dy1—N1—C49 | −52.03 (19) | N1—C49—C50—C51 | 0.6 (4) |
C24—Dy1—N1—C49 | 121.65 (19) | C49—C50—C51—C52 | −2.2 (4) |
O1W—Dy1—N1—C53 | −122.30 (19) | C49—C50—C51—C56 | 176.1 (2) |
O5—Dy1—N1—C53 | 41.5 (2) | C50—C51—C52—C53 | 1.9 (4) |
O10—Dy1—N1—C53 | −164.83 (16) | C56—C51—C52—C53 | −176.3 (3) |
O4—Dy1—N1—C53 | 37.08 (18) | C49—N1—C53—C52 | −1.7 (4) |
O2—Dy1—N1—C53 | 161.25 (19) | Dy1—N1—C53—C52 | 172.4 (2) |
O7—Dy1—N1—C53 | −42.50 (18) | C51—C52—C53—N1 | 0.0 (4) |
O1—Dy1—N1—C53 | 109.47 (19) | C58—N2—C54—C55 | 1.3 (5) |
O8—Dy1—N1—C53 | −59.2 (2) | N2—C54—C55—C56 | −0.2 (5) |
C16—Dy1—N1—C53 | 41.4 (2) | C54—C55—C56—C57 | −1.4 (5) |
C8—Dy1—N1—C53 | 134.34 (19) | C54—C55—C56—C51 | 175.4 (3) |
C24—Dy1—N1—C53 | −51.98 (19) | C50—C51—C56—C55 | −149.2 (3) |
O8—Dy2—N3—C59 | 0.4 (3) | C52—C51—C56—C55 | 29.0 (4) |
O14—Dy2—N3—C59 | 164.50 (19) | C50—C51—C56—C57 | 27.5 (4) |
O2W—Dy2—N3—C59 | −46.27 (18) | C52—C51—C56—C57 | −154.3 (3) |
O13—Dy2—N3—C59 | 144.87 (17) | C55—C56—C57—C58 | 1.8 (5) |
O16—Dy2—N3—C59 | 30.37 (18) | C51—C56—C57—C58 | −175.0 (3) |
O17—Dy2—N3—C59 | 84.38 (19) | C54—N2—C58—C57 | −0.8 (5) |
O10—Dy2—N3—C59 | −114.75 (18) | C56—C57—C58—N2 | −0.7 (6) |
O11—Dy2—N3—C59 | −120.04 (19) | C63—N3—C59—C60 | −2.2 (4) |
C40—Dy2—N3—C59 | 155.28 (18) | Dy2—N3—C59—C60 | 171.7 (2) |
C48—Dy2—N3—C59 | 57.21 (18) | N3—C59—C60—C61 | −1.2 (4) |
C32—Dy2—N3—C59 | −114.69 (18) | C59—C60—C61—C62 | 3.6 (4) |
O8—Dy2—N3—C63 | 173.99 (16) | C59—C60—C61—C66 | −173.6 (2) |
O14—Dy2—N3—C63 | −21.87 (18) | C60—C61—C62—C63 | −2.6 (4) |
O2W—Dy2—N3—C63 | 127.36 (19) | C66—C61—C62—C63 | 174.5 (2) |
O13—Dy2—N3—C63 | −41.5 (2) | C59—N3—C63—C62 | 3.3 (4) |
O16—Dy2—N3—C63 | −156.00 (19) | Dy2—N3—C63—C62 | −170.6 (2) |
O17—Dy2—N3—C63 | −101.99 (19) | C61—C62—C63—N3 | −0.9 (4) |
O10—Dy2—N3—C63 | 58.9 (2) | C68—N4—C64—C65 | 0.1 (5) |
O11—Dy2—N3—C63 | 53.59 (18) | N4—C64—C65—C66 | 1.8 (5) |
C40—Dy2—N3—C63 | −31.09 (19) | C64—C65—C66—C67 | −2.1 (4) |
C48—Dy2—N3—C63 | −129.2 (2) | C64—C65—C66—C61 | 174.3 (3) |
C32—Dy2—N3—C63 | 58.94 (19) | C60—C61—C66—C67 | 159.6 (3) |
C6—C1—C2—C3 | −1.3 (4) | C62—C61—C66—C67 | −17.5 (4) |
C7—C1—C2—C3 | −179.1 (3) | C60—C61—C66—C65 | −16.7 (4) |
C1—C2—C3—C4 | 0.4 (4) | C62—C61—C66—C65 | 166.3 (3) |
C2—C3—C4—O3 | −179.5 (3) | C65—C66—C67—C68 | 0.7 (4) |
C2—C3—C4—C5 | 1.3 (4) | C61—C66—C67—C68 | −175.8 (3) |
O3—C4—C5—C6 | 178.8 (3) | C64—N4—C68—C67 | −1.6 (5) |
C3—C4—C5—C6 | −2.0 (4) | C66—C67—C68—N4 | 1.3 (5) |
C4—C5—C6—C1 | 1.0 (4) | O2—C8—O1—Dy1 | 9.2 (2) |
C2—C1—C6—C5 | 0.6 (4) | C7—C8—O1—Dy1 | −168.7 (2) |
C7—C1—C6—C5 | 178.4 (3) | O1W—Dy1—O1—C8 | −9.26 (17) |
C2—C1—C7—C8 | −48.1 (3) | O5—Dy1—O1—C8 | −159.82 (15) |
C6—C1—C7—C8 | 134.2 (3) | O10—Dy1—O1—C8 | −87.13 (14) |
C1—C7—C8—O2 | −80.7 (3) | O4—Dy1—O1—C8 | 143.69 (15) |
C1—C7—C8—O1 | 97.2 (3) | O2—Dy1—O1—C8 | −5.28 (13) |
C1—C7—C8—Dy1 | −9.7 (12) | O7—Dy1—O1—C8 | 123.28 (15) |
O1W—Dy1—C8—O2 | 1.98 (14) | N1—Dy1—O1—C8 | 67.11 (14) |
O5—Dy1—C8—O2 | −150.65 (13) | O8—Dy1—O1—C8 | −130.22 (14) |
O10—Dy1—C8—O2 | −77.51 (14) | C16—Dy1—O1—C8 | 172.12 (16) |
O4—Dy1—C8—O2 | 155.10 (14) | C24—Dy1—O1—C8 | 174.79 (18) |
O7—Dy1—C8—O2 | 86.7 (2) | O1—C8—O2—Dy1 | −9.7 (2) |
O1—Dy1—C8—O2 | −170.5 (2) | C7—C8—O2—Dy1 | 168.26 (18) |
N1—Dy1—C8—O2 | 80.12 (14) | O1W—Dy1—O2—C8 | −177.98 (15) |
O8—Dy1—C8—O2 | −72.5 (2) | O5—Dy1—O2—C8 | 34.96 (16) |
C16—Dy1—C8—O2 | −177.91 (14) | O10—Dy1—O2—C8 | 101.05 (14) |
O1W—Dy1—C8—O1 | 172.48 (14) | O4—Dy1—O2—C8 | −28.24 (15) |
O5—Dy1—C8—O1 | 19.85 (15) | O7—Dy1—O2—C8 | −131.57 (14) |
O10—Dy1—C8—O1 | 92.99 (14) | O1—Dy1—O2—C8 | 5.31 (13) |
O4—Dy1—C8—O1 | −34.40 (14) | N1—Dy1—O2—C8 | −93.10 (14) |
O2—Dy1—C8—O1 | 170.5 (2) | O8—Dy1—O2—C8 | 142.12 (13) |
O7—Dy1—C8—O1 | −102.84 (19) | C16—Dy1—O2—C8 | 2.45 (16) |
N1—Dy1—C8—O1 | −109.38 (15) | C24—Dy1—O2—C8 | −174.73 (13) |
O8—Dy1—C8—O1 | 98.03 (19) | O5—C16—O4—Dy1 | 9.2 (3) |
C16—Dy1—C8—O1 | −7.41 (15) | C15—C16—O4—Dy1 | −168.1 (2) |
O1W—Dy1—C8—C7 | −75.1 (10) | O1W—Dy1—O4—C16 | −146.09 (15) |
O5—Dy1—C8—C7 | 132.3 (10) | O5—Dy1—O4—C16 | −5.17 (14) |
O10—Dy1—C8—C7 | −154.5 (10) | O10—Dy1—O4—C16 | 2.47 (18) |
O4—Dy1—C8—C7 | 78.1 (10) | O2—Dy1—O4—C16 | 106.96 (16) |
O2—Dy1—C8—C7 | −77.0 (10) | O7—Dy1—O4—C16 | −111.75 (16) |
O7—Dy1—C8—C7 | 9.6 (11) | O1—Dy1—O4—C16 | 79.54 (16) |
O1—Dy1—C8—C7 | 112.5 (11) | N1—Dy1—O4—C16 | 170.67 (17) |
N1—Dy1—C8—C7 | 3.1 (10) | O8—Dy1—O4—C16 | −66.61 (16) |
O8—Dy1—C8—C7 | −149.5 (10) | C8—Dy1—O4—C16 | 94.86 (16) |
C16—Dy1—C8—C7 | 105.1 (10) | C24—Dy1—O4—C16 | −90.64 (16) |
C14—C9—C10—C11 | 1.0 (4) | O4—C16—O5—Dy1 | −9.2 (3) |
C15—C9—C10—C11 | −179.1 (3) | C15—C16—O5—Dy1 | 168.1 (2) |
C9—C10—C11—C12 | −0.6 (5) | O1W—Dy1—O5—C16 | 150.68 (15) |
C10—C11—C12—C13 | 0.1 (4) | O10—Dy1—O5—C16 | −168.57 (16) |
C10—C11—C12—O6 | 178.8 (3) | O4—Dy1—O5—C16 | 5.10 (14) |
C11—C12—C13—C14 | 0.1 (4) | O2—Dy1—O5—C16 | −97.06 (15) |
O6—C12—C13—C14 | −178.7 (3) | O7—Dy1—O5—C16 | 74.53 (15) |
C12—C13—C14—C9 | 0.3 (4) | O1—Dy1—O5—C16 | −73.16 (15) |
C10—C9—C14—C13 | −0.8 (4) | N1—Dy1—O5—C16 | −0.20 (18) |
C15—C9—C14—C13 | 179.3 (3) | O8—Dy1—O5—C16 | 122.95 (15) |
C10—C9—C15—C16 | −98.1 (3) | C8—Dy1—O5—C16 | −82.14 (15) |
C14—C9—C15—C16 | 81.8 (3) | C24—Dy1—O5—C16 | 98.70 (15) |
C9—C15—C16—O4 | 172.1 (3) | O8—C24—O7—Dy1 | −8.6 (3) |
C9—C15—C16—O5 | −5.2 (4) | C23—C24—O7—Dy1 | 170.7 (2) |
C9—C15—C16—Dy1 | 84.4 (10) | O1W—Dy1—O7—C24 | −73.89 (16) |
O1W—Dy1—C16—O4 | 93.0 (3) | O5—Dy1—O7—C24 | 71.88 (16) |
O5—Dy1—C16—O4 | 170.9 (3) | O10—Dy1—O7—C24 | −2.21 (17) |
O10—Dy1—C16—O4 | −178.00 (15) | O4—Dy1—O7—C24 | 123.15 (16) |
O2—Dy1—C16—O4 | −88.50 (16) | O2—Dy1—O7—C24 | −119.47 (16) |
O7—Dy1—C16—O4 | 64.75 (16) | O1—Dy1—O7—C24 | 143.10 (15) |
O1—Dy1—C16—O4 | −90.92 (16) | N1—Dy1—O7—C24 | −157.75 (17) |
N1—Dy1—C16—O4 | −9.30 (17) | O8—Dy1—O7—C24 | 4.69 (14) |
O8—Dy1—C16—O4 | 116.46 (15) | C16—Dy1—O7—C24 | 98.22 (16) |
C8—Dy1—C16—O4 | −87.41 (16) | C8—Dy1—O7—C24 | −164.34 (16) |
C24—Dy1—C16—O4 | 89.96 (16) | O7—C24—O8—Dy2 | 164.5 (2) |
O1W—Dy1—C16—O5 | −77.9 (3) | C23—C24—O8—Dy2 | −14.7 (5) |
O10—Dy1—C16—O5 | 11.14 (15) | Dy1—C24—O8—Dy2 | 156.5 (3) |
O4—Dy1—C16—O5 | −170.9 (3) | O7—C24—O8—Dy1 | 8.1 (2) |
O2—Dy1—C16—O5 | 100.64 (15) | C23—C24—O8—Dy1 | −171.2 (2) |
O7—Dy1—C16—O5 | −106.11 (15) | O14—Dy2—O8—C24 | −82.2 (4) |
O1—Dy1—C16—O5 | 98.22 (15) | O2W—Dy2—O8—C24 | 125.3 (4) |
N1—Dy1—C16—O5 | 179.85 (14) | O13—Dy2—O8—C24 | −73.5 (3) |
O8—Dy1—C16—O5 | −54.40 (14) | O16—Dy2—O8—C24 | 48.3 (3) |
C8—Dy1—C16—O5 | 101.73 (15) | O17—Dy2—O8—C24 | −1.1 (4) |
C24—Dy1—C16—O5 | −80.90 (15) | O10—Dy2—O8—C24 | −154.0 (4) |
O1W—Dy1—C16—C15 | −173.4 (8) | O11—Dy2—O8—C24 | −170.2 (3) |
O5—Dy1—C16—C15 | −95.6 (10) | N3—Dy2—O8—C24 | 77.9 (4) |
O10—Dy1—C16—C15 | −84.4 (10) | C40—Dy2—O8—C24 | −77.0 (4) |
O4—Dy1—C16—C15 | 93.6 (10) | C48—Dy2—O8—C24 | 24.5 (3) |
O2—Dy1—C16—C15 | 5.1 (10) | C32—Dy2—O8—C24 | −164.9 (3) |
O7—Dy1—C16—C15 | 158.3 (10) | O14—Dy2—O8—Dy1 | 71.87 (9) |
O1—Dy1—C16—C15 | 2.7 (9) | O2W—Dy2—O8—Dy1 | −80.57 (7) |
N1—Dy1—C16—C15 | 84.3 (10) | O13—Dy2—O8—Dy1 | 80.66 (7) |
O8—Dy1—C16—C15 | −150.0 (9) | O16—Dy2—O8—Dy1 | −157.61 (7) |
C8—Dy1—C16—C15 | 6.2 (10) | O17—Dy2—O8—Dy1 | 153.00 (6) |
C24—Dy1—C16—C15 | −176.5 (9) | O10—Dy2—O8—Dy1 | 0.11 (5) |
C22—C17—C18—C19 | 0.2 (4) | O11—Dy2—O8—Dy1 | −16.10 (9) |
C23—C17—C18—C19 | 179.2 (2) | N3—Dy2—O8—Dy1 | −128.02 (12) |
C17—C18—C19—C20 | 0.2 (4) | C40—Dy2—O8—Dy1 | 77.13 (7) |
C18—C19—C20—O9 | 179.7 (2) | C48—Dy2—O8—Dy1 | 178.59 (7) |
C18—C19—C20—C21 | −0.6 (4) | C32—Dy2—O8—Dy1 | −10.81 (7) |
O9—C20—C21—C22 | −179.6 (2) | O1W—Dy1—O8—C24 | 82.80 (14) |
C19—C20—C21—C22 | 0.7 (4) | O5—Dy1—O8—C24 | −113.14 (14) |
C20—C21—C22—C17 | −0.3 (4) | O10—Dy1—O8—C24 | 168.74 (15) |
C18—C17—C22—C21 | −0.1 (4) | O4—Dy1—O8—C24 | −65.84 (14) |
C23—C17—C22—C21 | −179.2 (2) | O2—Dy1—O8—C24 | 122.93 (14) |
C22—C17—C23—C24 | 99.0 (3) | O7—Dy1—O8—C24 | −4.53 (13) |
C18—C17—C23—C24 | −80.1 (3) | O1—Dy1—O8—C24 | −142.72 (14) |
C17—C23—C24—O7 | −45.9 (4) | N1—Dy1—O8—C24 | 16.15 (16) |
C17—C23—C24—O8 | 133.3 (3) | C16—Dy1—O8—C24 | −90.43 (14) |
O1W—Dy1—C24—O7 | 99.37 (16) | C8—Dy1—O8—C24 | 163.21 (17) |
O5—Dy1—C24—O7 | −108.59 (16) | O1W—Dy1—O8—Dy2 | −86.05 (7) |
O10—Dy1—C24—O7 | 178.03 (16) | O5—Dy1—O8—Dy2 | 78.00 (7) |
O4—Dy1—C24—O7 | −54.57 (16) | O10—Dy1—O8—Dy2 | −0.12 (5) |
O2—Dy1—C24—O7 | 96.07 (18) | O4—Dy1—O8—Dy2 | 125.31 (7) |
O1—Dy1—C24—O7 | −84.0 (2) | O2—Dy1—O8—Dy2 | −45.92 (11) |
N1—Dy1—C24—O7 | 21.72 (16) | O7—Dy1—O8—Dy2 | −173.38 (10) |
O8—Dy1—C24—O7 | −171.7 (2) | O1—Dy1—O8—Dy2 | 48.43 (13) |
C16—Dy1—C24—O7 | −81.53 (16) | N1—Dy1—O8—Dy2 | −152.70 (7) |
O1W—Dy1—C24—O8 | −88.92 (14) | C16—Dy1—O8—Dy2 | 100.72 (7) |
O5—Dy1—C24—O8 | 63.12 (13) | C8—Dy1—O8—Dy2 | −5.64 (18) |
O10—Dy1—C24—O8 | −10.26 (14) | C24—Dy1—O8—Dy2 | −168.85 (17) |
O4—Dy1—C24—O8 | 117.14 (13) | O11—C32—O10—Dy1 | −151.33 (18) |
O2—Dy1—C24—O8 | −92.22 (16) | C31—C32—O10—Dy1 | 28.6 (4) |
O7—Dy1—C24—O8 | 171.7 (2) | Dy2—C32—O10—Dy1 | −139.0 (2) |
O1—Dy1—C24—O8 | 87.7 (2) | O11—C32—O10—Dy2 | −12.3 (2) |
N1—Dy1—C24—O8 | −166.57 (13) | C31—C32—O10—Dy2 | 167.6 (2) |
C16—Dy1—C24—O8 | 90.18 (14) | O1W—Dy1—O10—C32 | −148.8 (2) |
C30—C25—C26—C27 | −0.4 (4) | O5—Dy1—O10—C32 | 53.3 (2) |
C31—C25—C26—C27 | 177.9 (2) | O4—Dy1—O10—C32 | 46.8 (3) |
C25—C26—C27—C28 | −0.7 (4) | O2—Dy1—O10—C32 | −73.4 (2) |
C26—C27—C28—O12 | −179.1 (2) | O7—Dy1—O10—C32 | 140.6 (2) |
C26—C27—C28—C29 | 1.3 (4) | O1—Dy1—O10—C32 | −21.3 (2) |
O12—C28—C29—C30 | 179.6 (2) | N1—Dy1—O10—C32 | −106.0 (3) |
C27—C28—C29—C30 | −0.7 (4) | O8—Dy1—O10—C32 | 134.7 (3) |
C26—C25—C30—C29 | 1.0 (4) | C16—Dy1—O10—C32 | 48.0 (2) |
C31—C25—C30—C29 | −177.4 (2) | C8—Dy1—O10—C32 | −47.7 (2) |
C28—C29—C30—C25 | −0.5 (4) | C24—Dy1—O10—C32 | 139.7 (2) |
C30—C25—C31—C32 | 75.4 (3) | O1W—Dy1—O10—Dy2 | 76.68 (7) |
C26—C25—C31—C32 | −102.9 (3) | O5—Dy1—O10—Dy2 | −81.24 (7) |
C25—C31—C32—O11 | 12.1 (4) | O4—Dy1—O10—Dy2 | −87.70 (9) |
C25—C31—C32—O10 | −167.9 (2) | O2—Dy1—O10—Dy2 | 152.08 (7) |
C25—C31—C32—Dy2 | −94.3 (8) | O7—Dy1—O10—Dy2 | 6.06 (9) |
O8—Dy2—C32—O11 | −168.79 (14) | O1—Dy1—O10—Dy2 | −155.81 (7) |
O14—Dy2—C32—O11 | 62.26 (14) | N1—Dy1—O10—Dy2 | 119.41 (13) |
O2W—Dy2—C32—O11 | −91.10 (14) | O8—Dy1—O10—Dy2 | 0.11 (5) |
O13—Dy2—C32—O11 | 115.96 (14) | C16—Dy1—O10—Dy2 | −86.56 (8) |
O16—Dy2—C32—O11 | −94.94 (16) | C8—Dy1—O10—Dy2 | 177.79 (8) |
O17—Dy2—C32—O11 | 70.2 (2) | C24—Dy1—O10—Dy2 | 5.11 (7) |
O10—Dy2—C32—O11 | 167.7 (2) | O8—Dy2—O10—C32 | −154.30 (14) |
N3—Dy2—C32—O11 | −12.21 (15) | O14—Dy2—O10—C32 | 73.49 (13) |
C40—Dy2—C32—O11 | 89.06 (14) | O2W—Dy2—O10—C32 | −71.33 (13) |
O8—Dy2—C32—O10 | 23.53 (13) | O13—Dy2—O10—C32 | 125.95 (14) |
O14—Dy2—C32—O10 | −105.42 (13) | O16—Dy2—O10—C32 | −117.97 (14) |
O2W—Dy2—C32—O10 | 101.22 (14) | O17—Dy2—O10—C32 | 139.73 (15) |
O13—Dy2—C32—O10 | −51.72 (13) | O11—Dy2—O10—C32 | 6.76 (12) |
O16—Dy2—C32—O10 | 97.39 (15) | N3—Dy2—O10—C32 | 0.14 (15) |
O17—Dy2—C32—O10 | −97.5 (2) | C40—Dy2—O10—C32 | 99.34 (14) |
O11—Dy2—C32—O10 | −167.7 (2) | C48—Dy2—O10—C32 | −158.43 (18) |
N3—Dy2—C32—O10 | −179.88 (12) | O8—Dy2—O10—Dy1 | −0.12 (5) |
C40—Dy2—C32—O10 | −78.61 (13) | O14—Dy2—O10—Dy1 | −132.33 (7) |
O8—Dy2—C32—C31 | −56.1 (8) | O2W—Dy2—O10—Dy1 | 82.85 (7) |
O14—Dy2—C32—C31 | 175.0 (8) | O13—Dy2—O10—Dy1 | −79.87 (7) |
O2W—Dy2—C32—C31 | 21.6 (8) | O16—Dy2—O10—Dy1 | 36.21 (11) |
O13—Dy2—C32—C31 | −131.3 (8) | O17—Dy2—O10—Dy1 | −66.09 (14) |
O16—Dy2—C32—C31 | 17.8 (9) | O11—Dy2—O10—Dy1 | 160.94 (10) |
O17—Dy2—C32—C31 | −177.1 (7) | N3—Dy2—O10—Dy1 | 154.32 (7) |
O10—Dy2—C32—C31 | −79.6 (8) | C40—Dy2—O10—Dy1 | −106.48 (7) |
O11—Dy2—C32—C31 | 112.7 (9) | C48—Dy2—O10—Dy1 | −4.2 (2) |
N3—Dy2—C32—C31 | 100.5 (8) | C32—Dy2—O10—Dy1 | 154.18 (16) |
C40—Dy2—C32—C31 | −158.2 (8) | O10—C32—O11—Dy2 | 12.2 (2) |
C38—C33—C34—C35 | −0.7 (4) | C31—C32—O11—Dy2 | −167.7 (2) |
C39—C33—C34—C35 | 179.1 (2) | O8—Dy2—O11—C32 | 12.44 (15) |
C33—C34—C35—C36 | 0.5 (4) | O14—Dy2—O11—C32 | −112.96 (14) |
C34—C35—C36—O15 | 179.9 (2) | O2W—Dy2—O11—C32 | 80.31 (14) |
C34—C35—C36—C37 | −0.1 (4) | O13—Dy2—O11—C32 | −66.89 (14) |
O15—C36—C37—C38 | −180.0 (2) | O16—Dy2—O11—C32 | 119.01 (14) |
C35—C36—C37—C38 | 0.0 (4) | O17—Dy2—O11—C32 | −149.04 (13) |
C34—C33—C38—C37 | 0.6 (4) | O10—Dy2—O11—C32 | −6.89 (13) |
C39—C33—C38—C37 | −179.2 (2) | N3—Dy2—O11—C32 | 167.66 (15) |
C36—C37—C38—C33 | −0.3 (4) | C40—Dy2—O11—C32 | −89.93 (14) |
C38—C33—C39—C40 | −114.6 (3) | C48—Dy2—O11—C32 | 162.46 (15) |
C34—C33—C39—C40 | 65.6 (3) | O14—C40—O13—Dy2 | 1.5 (2) |
C33—C39—C40—O14 | 173.1 (2) | C39—C40—O13—Dy2 | −177.2 (2) |
C33—C39—C40—O13 | −8.2 (4) | O8—Dy2—O13—C40 | −172.42 (15) |
O8—Dy2—C40—O14 | −170.95 (14) | O14—Dy2—O13—C40 | −0.87 (13) |
O2W—Dy2—C40—O14 | −81.2 (2) | O2W—Dy2—O13—C40 | −135.97 (15) |
O13—Dy2—C40—O14 | −178.4 (2) | O16—Dy2—O13—C40 | 116.77 (14) |
O16—Dy2—C40—O14 | 102.01 (15) | O17—Dy2—O13—C40 | 84.06 (14) |
O17—Dy2—C40—O14 | 93.04 (15) | O10—Dy2—O13—C40 | −102.90 (14) |
O10—Dy2—C40—O14 | −106.32 (15) | O11—Dy2—O13—C40 | −58.98 (14) |
O11—Dy2—C40—O14 | −55.39 (14) | N3—Dy2—O13—C40 | 22.85 (17) |
N3—Dy2—C40—O14 | 20.01 (15) | C48—Dy2—O13—C40 | 98.13 (15) |
C48—Dy2—C40—O14 | 95.09 (15) | C32—Dy2—O13—C40 | −82.19 (14) |
C32—Dy2—C40—O14 | −80.78 (15) | O13—C40—O14—Dy2 | −1.5 (2) |
O8—Dy2—C40—O13 | 7.49 (15) | C39—C40—O14—Dy2 | 177.20 (19) |
O14—Dy2—C40—O13 | 178.4 (2) | O8—Dy2—O14—C40 | 11.37 (18) |
O2W—Dy2—C40—O13 | 97.3 (2) | O2W—Dy2—O14—C40 | 142.11 (14) |
O16—Dy2—C40—O13 | −79.54 (15) | O13—Dy2—O14—C40 | 0.87 (13) |
O17—Dy2—C40—O13 | −88.51 (14) | O16—Dy2—O14—C40 | −98.60 (15) |
O10—Dy2—C40—O13 | 72.13 (14) | O17—Dy2—O14—C40 | −80.13 (15) |
O11—Dy2—C40—O13 | 123.06 (14) | O10—Dy2—O14—C40 | 72.36 (15) |
N3—Dy2—C40—O13 | −161.54 (14) | O11—Dy2—O14—C40 | 120.63 (15) |
C48—Dy2—C40—O13 | −86.46 (14) | N3—Dy2—O14—C40 | −159.78 (16) |
C32—Dy2—C40—O13 | 97.67 (14) | C48—Dy2—O14—C40 | −90.47 (15) |
C46—C41—C42—C43 | −1.0 (4) | C32—Dy2—O14—C40 | 97.26 (15) |
C47—C41—C42—C43 | 177.5 (2) | O17—C48—O16—Dy2 | 8.4 (2) |
C41—C42—C43—C44 | −0.7 (4) | C47—C48—O16—Dy2 | −170.62 (19) |
C42—C43—C44—O18 | −178.6 (3) | O8—Dy2—O16—C48 | −113.73 (14) |
C42—C43—C44—C45 | 1.7 (4) | O14—Dy2—O16—C48 | 18.29 (16) |
O18—C44—C45—C46 | 179.3 (3) | O2W—Dy2—O16—C48 | 165.66 (15) |
C43—C44—C45—C46 | −1.0 (4) | O13—Dy2—O16—C48 | −45.91 (15) |
C42—C41—C46—C45 | 1.7 (4) | O17—Dy2—O16—C48 | −4.66 (13) |
C47—C41—C46—C45 | −176.8 (2) | O10—Dy2—O16—C48 | −147.30 (13) |
C44—C45—C46—C41 | −0.7 (4) | O11—Dy2—O16—C48 | 127.60 (14) |
C46—C41—C47—C48 | 107.5 (3) | N3—Dy2—O16—C48 | 79.13 (14) |
C42—C41—C47—C48 | −70.9 (3) | C40—Dy2—O16—C48 | −15.57 (16) |
C41—C47—C48—O16 | 58.5 (3) | C32—Dy2—O16—C48 | 169.39 (13) |
C41—C47—C48—O17 | −120.4 (3) | O16—C48—O17—Dy2 | −8.1 (2) |
O8—Dy2—C48—O16 | 64.58 (14) | C47—C48—O17—Dy2 | 170.9 (2) |
O14—Dy2—C48—O16 | −165.18 (13) | O8—Dy2—O17—C48 | 75.24 (15) |
O2W—Dy2—C48—O16 | −14.13 (14) | O14—Dy2—O17—C48 | −156.84 (15) |
O13—Dy2—C48—O16 | 139.89 (13) | O2W—Dy2—O17—C48 | −7.21 (18) |
O17—Dy2—C48—O16 | 171.7 (2) | O13—Dy2—O17—C48 | 147.37 (16) |
O10—Dy2—C48—O16 | 68.4 (2) | O16—Dy2—O17—C48 | 4.59 (13) |
O11—Dy2—C48—O16 | −88.60 (19) | O10—Dy2—O17—C48 | 133.58 (14) |
N3—Dy2—C48—O16 | −93.87 (14) | O11—Dy2—O17—C48 | −121.63 (15) |
C40—Dy2—C48—O16 | 167.27 (14) | N3—Dy2—O17—C48 | −78.55 (15) |
O8—Dy2—C48—O17 | −107.13 (15) | C40—Dy2—O17—C48 | 175.48 (16) |
O14—Dy2—C48—O17 | 23.12 (15) | C32—Dy2—O17—C48 | −164.95 (18) |
D—H···A | D—H | H···A | D···A | D—H···A |
O3—H3B···O12i | 0.82 | 1.93 | 2.742 (3) | 169 |
O6—H6B···O3Wii | 0.82 | 1.86 | 2.644 (3) | 160 |
O9—H9A···O17iii | 0.82 | 1.85 | 2.670 (3) | 173 |
O12—H12A···O11iv | 0.82 | 1.94 | 2.748 (2) | 168 |
O15—H15C···O6v | 0.82 | 1.90 | 2.715 (3) | 174 |
O18—H18B···O9ii | 0.82 | 1.95 | 2.766 (3) | 174 |
O2W—H2WA···O5 | 0.84 (4) | 1.96 (2) | 2.745 (2) | 154 (4) |
O2W—H2WB···N2ii | 0.84 (2) | 2.04 (2) | 2.834 (3) | 160 (4) |
O3W—H3WB···O3 | 0.83 (4) | 1.99 (2) | 2.799 (3) | 163 (4) |
O1W—H1WA···O13 | 0.82 (4) | 1.98 (2) | 2.738 (2) | 153 (4) |
O1W—H1WB···N4i | 0.84 (2) | 1.96 (2) | 2.781 (3) | 167 (4) |
O3W—H3WA···O1vi | 0.84 (4) | 1.94 (2) | 2.775 (3) | 178 (4) |
Symmetry codes: (i) x, y+1, z; (ii) x, y−1, z; (iii) −x, −y+1, −z; (iv) −x, −y, −z+1; (v) x−1, y+1, z; (vi) −x+1, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Dy2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O |
Mr | 1598.23 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 296 |
a, b, c (Å) | 11.7235 (1), 16.2155 (2), 18.4135 (2) |
α, β, γ (°) | 83.4850 (1), 72.2430 (1), 71.2160 (1) |
V (Å3) | 3155.68 (6) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 2.43 |
Crystal size (mm) | 0.13 × 0.08 × 0.07 |
Data collection | |
Diffractometer | Bruker APEXII area-detector |
Absorption correction | Empirical (using intensity measurements) (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.786, 0.849 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 40429, 11065, 10032 |
Rint | 0.025 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.019, 0.048, 1.05 |
No. of reflections | 11065 |
No. of parameters | 875 |
No. of restraints | 9 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.32, −0.83 |
Computer programs: APEX2 (Bruker, 2006), SAINT (Bruker, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
O3—H3B···O12i | 0.82 | 1.93 | 2.742 (3) | 169.2 |
O6—H6B···O3Wii | 0.82 | 1.86 | 2.644 (3) | 159.9 |
O9—H9A···O17iii | 0.82 | 1.85 | 2.670 (3) | 173.1 |
O12—H12A···O11iv | 0.82 | 1.94 | 2.748 (2) | 167.9 |
O15—H15C···O6v | 0.82 | 1.90 | 2.715 (3) | 173.9 |
O18—H18B···O9ii | 0.82 | 1.95 | 2.766 (3) | 173.6 |
O2W—H2WA···O5 | 0.84 (4) | 1.96 (2) | 2.745 (2) | 154 (4) |
O2W—H2WB···N2ii | 0.835 (18) | 2.04 (2) | 2.834 (3) | 160 (4) |
O3W—H3WB···O3 | 0.83 (4) | 1.99 (2) | 2.799 (3) | 163 (4) |
O1W—H1WA···O13 | 0.82 (4) | 1.98 (2) | 2.738 (2) | 153 (4) |
O1W—H1WB···N4i | 0.836 (18) | 1.959 (19) | 2.781 (3) | 167 (4) |
O3W—H3WA···O1vi | 0.84 (4) | 1.942 (18) | 2.775 (3) | 178 (4) |
Symmetry codes: (i) x, y+1, z; (ii) x, y−1, z; (iii) −x, −y+1, −z; (iv) −x, −y, −z+1; (v) x−1, y+1, z; (vi) −x+1, −y+1, −z+1. |
References
Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Fang, R.-Q. & Zhang, X.-M. (2006). Inorg. Chem. 45, 4801–4810. Web of Science CSD CrossRef PubMed CAS Google Scholar
Liu, J.-L., Li, H.-Q. & Zhao, G.-L. (2010). Acta Cryst. E66, m9. Web of Science CSD CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Wang, G.-H., Lei, Y.-Q. & Wang, N. (2010). Cryst Growth Des. 10, 4060–4067. Google Scholar
Wang, X.-X. & Sevov, S. (2008). Inorg. Chem. 47, 1037–1043. Web of Science CSD CrossRef PubMed CAS Google Scholar
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
The design and synthesis of carboxylic mental-organic complexes have been an increasing interest for decades owing to their potential practical applications, such as fluorescence, magnetism (Wang et al., 2010; Fang & Zhang, 2006; Wang et al., 2008). We have worked at it before (Liu et al., 2010). In the paper, we report the crystal structure of a new dysprosium III complex with the ligand p- hydroxyphenylacetic acid. The title compound consist of two Dy (III) cation, six L ligands, two bipy molecules and three water molecules. In the bicentric structure compound, every centric atom is coordinated with seven O atoms from four L ligands,one N atom from 4,4'-bipyridine ligand and one O atom from a water molecule. The centric atom is nine coordinated. The PAA ligands are coordinated by two modes, bridging and bridging tridentate. (Fig.1). The dysprosium III atom is in a distorted capped pentagonal prism environment. The Dy–O bond lengths range from 2.3875 (16) Å-2.5555 (16) Å. The Dy–N distances range from 2.494 (3) Å-2.509 (3) Å. The Dy–O(water) bond length range are 2.5415 (19)Å and 2.5631(19 Å. In addition, there are plenty of hydrogen bonds in the crystal structure due to the existence of dissociative water and crystal water molecules. The occurrence of numerous O–H···O involving coordinated and non- coordinated water molecules build up a three dimensional network.