The title compound, [Gd2(C8H4O4)3(H2O)]n, is a two-dimensional coordination polymer. The Gd atoms are eight- and nine-coordinated. This compound is isostructural with its dysprosium analog.
Supporting information
CCDC reference: 608335
Key indicators
- Single-crystal X-ray study
- T = 290 K
- Mean (C-C) = 0.010 Å
- R factor = 0.043
- wR factor = 0.111
- Data-to-parameter ratio = 14.9
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.77 Ratio
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
2 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
1 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CrystalClear (Rigaku, 2002); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PROG (ref, date); software used to prepare material for publication: SHELXL97.
Poly[aquabis(µ
4-benzene-1,2-dicarboxylato)(µ
3-benzene-1,2-
dicarboxylato)digadolinium(III)]
top
Crystal data top
[Gd2(C8H4O4)3(H2O) | F(000) = 1560 |
Mr = 824.85 | Dx = 2.333 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 5932 reflections |
a = 7.9786 (5) Å | θ = 3.1–27.5° |
b = 26.4255 (15) Å | µ = 5.67 mm−1 |
c = 11.6508 (8) Å | T = 290 K |
β = 107.048 (3)° | Rod, colorless |
V = 2348.5 (3) Å3 | 0.60 × 0.11 × 0.10 mm |
Z = 4 | |
Data collection top
Rigaku Mercury CCD diffractometer | 5352 independent reflections |
Radiation source: fine-focus sealed tube | 4551 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.056 |
Detector resolution: 14.631 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
ω scans | h = −10→10 |
Absorption correction: multi-scan (CrystalClear; Rigaku, 2002) | k = −34→25 |
Tmin = 0.125, Tmax = 0.567 | l = −15→14 |
17823 measured reflections | |
Refinement top
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)] = 0.043 | Hydrogen site location: difmap and geom |
wR(F2) = 0.111 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.06 | w = 1/[σ2(Fo2) + (0.063P)2] where P = (Fo2 + 2Fc2)/3 |
5352 reflections | (Δ/σ)max = 0.001 |
358 parameters | Δρmax = 2.33 e Å−3 |
3 restraints | Δρmin = −2.45 e Å−3 |
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 > 2sigma(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 | x | y | z | Uiso*/Ueq | |
Gd1 | 0.08447 (3) | 0.725781 (11) | 0.16147 (2) | 0.01568 (10) | |
Gd2 | 0.40324 (4) | 0.695017 (11) | −0.01144 (2) | 0.01719 (10) | |
O1 | −0.0827 (6) | 0.65425 (18) | 0.1484 (4) | 0.0267 (10) | |
O2 | −0.3697 (5) | 0.64166 (18) | 0.0742 (4) | 0.0265 (10) | |
O3 | 0.0659 (5) | 0.67768 (16) | −0.0287 (4) | 0.0207 (9) | |
O4 | 0.2408 (5) | 0.61594 (17) | −0.0493 (4) | 0.0265 (10) | |
O5 | 0.2605 (5) | 0.76746 (15) | 0.0456 (4) | 0.0186 (9) | |
O6 | 0.1940 (6) | 0.79896 (18) | −0.1368 (4) | 0.0288 (11) | |
O7 | 0.2379 (5) | 0.79779 (17) | 0.2683 (4) | 0.0226 (9) | |
O8 | 0.4840 (6) | 0.84035 (18) | 0.3174 (4) | 0.0285 (10) | |
O9 | 0.3389 (5) | 0.67518 (16) | 0.1753 (3) | 0.0190 (9) | |
O10 | 0.5797 (6) | 0.71996 (18) | 0.2356 (4) | 0.0301 (11) | |
O11 | 0.8887 (6) | 0.72640 (17) | 0.5174 (4) | 0.0262 (10) | |
O12 | 0.6120 (6) | 0.74871 (18) | 0.4843 (4) | 0.0296 (10) | |
O13 | −0.1103 (6) | 0.7644 (2) | 0.2597 (4) | 0.0290 (11) | |
H13B | −0.049 (7) | 0.779 (3) | 0.322 (4) | 0.044* | |
H13C | −0.208 (5) | 0.753 (3) | 0.259 (6) | 0.044* | |
C1 | −0.2143 (7) | 0.6330 (2) | 0.0771 (5) | 0.0176 (12) | |
C2 | −0.1857 (8) | 0.5927 (2) | −0.0063 (6) | 0.0242 (13) | |
C3 | −0.3072 (9) | 0.5533 (3) | −0.0315 (6) | 0.0316 (15) | |
H3A | −0.4014 | 0.5546 | 0.0002 | 0.038* | |
C4 | −0.2925 (10) | 0.5124 (3) | −0.1020 (7) | 0.0432 (19) | |
H4A | −0.3740 | 0.4863 | −0.1162 | 0.052* | |
C5 | −0.1549 (10) | 0.5111 (3) | −0.1510 (7) | 0.0385 (17) | |
H5A | −0.1435 | 0.4841 | −0.1991 | 0.046* | |
C6 | −0.0347 (9) | 0.5498 (3) | −0.1286 (6) | 0.0301 (15) | |
H6A | 0.0571 | 0.5485 | −0.1627 | 0.036* | |
C7 | −0.0457 (8) | 0.5909 (2) | −0.0567 (5) | 0.0218 (12) | |
C8 | 0.0938 (8) | 0.6310 (2) | −0.0420 (5) | 0.0188 (12) | |
C9 | 0.2163 (8) | 0.8043 (2) | −0.0273 (6) | 0.0212 (13) | |
C10 | 0.2006 (8) | 0.8556 (2) | 0.0206 (5) | 0.0227 (13) | |
C11 | 0.1312 (10) | 0.8939 (3) | −0.0622 (6) | 0.0336 (16) | |
H11A | 0.0861 | 0.8860 | −0.1432 | 0.040* | |
C12 | 0.1290 (12) | 0.9432 (3) | −0.0247 (8) | 0.046 (2) | |
H12A | 0.0791 | 0.9684 | −0.0799 | 0.055* | |
C13 | 0.2015 (12) | 0.9553 (3) | 0.0957 (7) | 0.046 (2) | |
H13A | 0.2033 | 0.9888 | 0.1206 | 0.056* | |
C14 | 0.2701 (10) | 0.9182 (3) | 0.1775 (6) | 0.0341 (16) | |
H14A | 0.3190 | 0.9266 | 0.2579 | 0.041* | |
C15 | 0.2675 (8) | 0.8679 (2) | 0.1417 (6) | 0.0229 (13) | |
C16 | 0.3397 (8) | 0.8317 (2) | 0.2452 (5) | 0.0210 (12) | |
C17 | 0.4906 (8) | 0.6840 (2) | 0.2523 (5) | 0.0222 (13) | |
C18 | 0.5523 (8) | 0.6483 (2) | 0.3545 (5) | 0.0227 (13) | |
C19 | 0.4945 (9) | 0.5985 (3) | 0.3373 (7) | 0.0346 (16) | |
H19A | 0.4156 | 0.5888 | 0.2647 | 0.041* | |
C20 | 0.5541 (11) | 0.5634 (3) | 0.4280 (7) | 0.0435 (19) | |
H20A | 0.5147 | 0.5301 | 0.4169 | 0.052* | |
C21 | 0.6716 (11) | 0.5778 (3) | 0.5345 (7) | 0.049 (2) | |
H21A | 0.7098 | 0.5541 | 0.5957 | 0.059* | |
C22 | 0.7341 (10) | 0.6265 (3) | 0.5526 (7) | 0.0365 (17) | |
H22A | 0.8160 | 0.6354 | 0.6247 | 0.044* | |
C23 | 0.6737 (8) | 0.6626 (2) | 0.4618 (5) | 0.0224 (13) | |
C24 | 0.7293 (8) | 0.7169 (2) | 0.4888 (5) | 0.0219 (13) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Gd1 | 0.00978 (16) | 0.02323 (17) | 0.01413 (17) | −0.00045 (10) | 0.00367 (12) | −0.00030 (10) |
Gd2 | 0.01076 (16) | 0.02425 (18) | 0.01790 (17) | 0.00069 (10) | 0.00627 (12) | −0.00007 (11) |
O1 | 0.019 (2) | 0.037 (3) | 0.025 (2) | −0.0074 (19) | 0.0078 (19) | −0.003 (2) |
O2 | 0.012 (2) | 0.038 (3) | 0.029 (2) | 0.0066 (18) | 0.0069 (18) | 0.001 (2) |
O3 | 0.018 (2) | 0.024 (2) | 0.019 (2) | 0.0005 (17) | 0.0034 (17) | 0.0001 (18) |
O4 | 0.015 (2) | 0.030 (2) | 0.038 (3) | 0.0009 (18) | 0.0139 (19) | −0.007 (2) |
O5 | 0.018 (2) | 0.023 (2) | 0.016 (2) | −0.0009 (16) | 0.0063 (17) | −0.0009 (17) |
O6 | 0.031 (3) | 0.036 (3) | 0.019 (2) | −0.003 (2) | 0.006 (2) | −0.0029 (19) |
O7 | 0.019 (2) | 0.029 (2) | 0.022 (2) | −0.0058 (17) | 0.0080 (18) | −0.0056 (18) |
O8 | 0.020 (2) | 0.041 (3) | 0.024 (2) | −0.010 (2) | 0.0054 (19) | 0.002 (2) |
O9 | 0.013 (2) | 0.029 (2) | 0.0139 (19) | −0.0013 (17) | 0.0022 (16) | −0.0020 (17) |
O10 | 0.019 (2) | 0.034 (3) | 0.036 (3) | −0.0042 (19) | 0.008 (2) | 0.011 (2) |
O11 | 0.014 (2) | 0.035 (3) | 0.028 (2) | −0.0064 (17) | 0.0023 (19) | −0.0064 (19) |
O12 | 0.024 (2) | 0.028 (3) | 0.039 (3) | 0.0044 (19) | 0.013 (2) | −0.004 (2) |
O13 | 0.012 (2) | 0.052 (3) | 0.025 (2) | −0.006 (2) | 0.0083 (19) | −0.008 (2) |
C1 | 0.014 (3) | 0.014 (3) | 0.027 (3) | −0.001 (2) | 0.009 (2) | 0.004 (2) |
C2 | 0.013 (3) | 0.030 (3) | 0.027 (3) | −0.001 (2) | 0.002 (2) | −0.002 (3) |
C3 | 0.024 (3) | 0.030 (4) | 0.043 (4) | −0.007 (3) | 0.013 (3) | −0.007 (3) |
C4 | 0.037 (4) | 0.039 (4) | 0.057 (5) | −0.018 (3) | 0.019 (4) | −0.015 (4) |
C5 | 0.043 (5) | 0.033 (4) | 0.043 (4) | −0.008 (3) | 0.019 (4) | −0.017 (3) |
C6 | 0.027 (4) | 0.031 (4) | 0.037 (4) | −0.006 (3) | 0.017 (3) | −0.010 (3) |
C7 | 0.012 (3) | 0.027 (3) | 0.024 (3) | −0.003 (2) | 0.003 (2) | 0.001 (3) |
C8 | 0.018 (3) | 0.025 (3) | 0.015 (3) | 0.000 (2) | 0.007 (2) | 0.000 (2) |
C9 | 0.010 (3) | 0.035 (4) | 0.020 (3) | −0.001 (2) | 0.006 (2) | 0.003 (3) |
C10 | 0.016 (3) | 0.030 (3) | 0.024 (3) | 0.003 (2) | 0.008 (2) | 0.002 (3) |
C11 | 0.037 (4) | 0.037 (4) | 0.027 (4) | 0.006 (3) | 0.009 (3) | 0.005 (3) |
C12 | 0.064 (6) | 0.028 (4) | 0.048 (5) | 0.017 (4) | 0.020 (4) | 0.012 (4) |
C13 | 0.067 (6) | 0.027 (4) | 0.053 (5) | 0.007 (4) | 0.029 (5) | −0.006 (4) |
C14 | 0.048 (5) | 0.029 (4) | 0.030 (4) | −0.003 (3) | 0.018 (3) | −0.005 (3) |
C15 | 0.023 (3) | 0.022 (3) | 0.026 (3) | −0.006 (2) | 0.009 (3) | −0.002 (3) |
C16 | 0.023 (3) | 0.027 (3) | 0.015 (3) | −0.004 (2) | 0.008 (2) | −0.005 (2) |
C17 | 0.018 (3) | 0.030 (3) | 0.020 (3) | 0.005 (3) | 0.008 (2) | −0.003 (3) |
C18 | 0.020 (3) | 0.025 (3) | 0.021 (3) | −0.003 (2) | 0.003 (2) | −0.002 (3) |
C19 | 0.028 (4) | 0.035 (4) | 0.037 (4) | −0.006 (3) | 0.003 (3) | 0.000 (3) |
C20 | 0.046 (5) | 0.026 (4) | 0.051 (5) | −0.006 (3) | 0.002 (4) | 0.009 (4) |
C21 | 0.057 (5) | 0.034 (4) | 0.044 (5) | 0.000 (4) | −0.005 (4) | 0.020 (4) |
C22 | 0.032 (4) | 0.034 (4) | 0.034 (4) | 0.001 (3) | −0.005 (3) | 0.009 (3) |
C23 | 0.012 (3) | 0.030 (3) | 0.022 (3) | 0.000 (2) | 0.000 (2) | 0.006 (3) |
C24 | 0.016 (3) | 0.032 (3) | 0.018 (3) | 0.004 (2) | 0.006 (2) | 0.000 (3) |
Geometric parameters (Å, º) top
Gd1—O1 | 2.293 (4) | C2—C7 | 1.407 (8) |
Gd1—O11i | 2.306 (4) | C3—C4 | 1.383 (10) |
Gd1—O6ii | 2.348 (4) | C3—H3A | 0.9300 |
Gd1—O9 | 2.397 (4) | C4—C5 | 1.378 (10) |
Gd1—O7 | 2.403 (4) | C4—H4A | 0.9300 |
Gd1—O13 | 2.410 (4) | C5—C6 | 1.374 (10) |
Gd1—O5 | 2.474 (4) | C5—H5A | 0.9300 |
Gd1—O3 | 2.521 (4) | C6—C7 | 1.390 (9) |
Gd1—Gd2 | 3.7673 (4) | C6—H6A | 0.9300 |
Gd2—O12iii | 2.244 (4) | C7—C8 | 1.511 (8) |
Gd2—O2iv | 2.282 (4) | C9—C10 | 1.483 (9) |
Gd2—O5 | 2.418 (4) | C10—C15 | 1.394 (9) |
Gd2—O4 | 2.430 (4) | C10—C11 | 1.396 (9) |
Gd2—O9 | 2.434 (4) | C11—C12 | 1.376 (10) |
Gd2—O8iii | 2.453 (4) | C11—H11A | 0.9300 |
Gd2—O7iii | 2.525 (4) | C12—C13 | 1.389 (11) |
Gd2—O3 | 2.679 (4) | C12—H12A | 0.9300 |
Gd2—O10 | 2.885 (5) | C13—C14 | 1.366 (11) |
C1—O1 | 1.263 (7) | C13—H13A | 0.9300 |
C1—O2 | 1.251 (7) | C14—C15 | 1.391 (9) |
C8—O3 | 1.270 (7) | C14—H14A | 0.9300 |
C8—O4 | 1.265 (7) | C15—C16 | 1.515 (9) |
C9—O5 | 1.273 (7) | C17—C18 | 1.485 (9) |
C9—O6 | 1.243 (7) | C18—C19 | 1.389 (9) |
C16—O7 | 1.289 (7) | C18—C23 | 1.391 (9) |
C16—O8 | 1.232 (7) | C19—C20 | 1.381 (10) |
C17—O9 | 1.299 (7) | C19—H19A | 0.9300 |
C17—O10 | 1.236 (8) | C20—C21 | 1.372 (11) |
C24—O11 | 1.242 (7) | C20—H20A | 0.9300 |
C24—O12 | 1.248 (7) | C21—C22 | 1.372 (11) |
O13—H13B | 0.84 (5) | C21—H21A | 0.9300 |
O13—H13C | 0.84 (5) | C22—C23 | 1.402 (9) |
C1—C2 | 1.504 (8) | C22—H22A | 0.9300 |
C2—C3 | 1.394 (9) | C23—C24 | 1.507 (9) |
| | | |
O1—Gd1—O11i | 98.44 (17) | Gd1—O13—H13B | 108 (5) |
O1—Gd1—O6ii | 82.85 (16) | Gd1—O13—H13C | 125 (5) |
O11i—Gd1—O6ii | 148.81 (16) | H13B—O13—H13C | 119 (5) |
O1—Gd1—O9 | 90.53 (15) | O2—C1—O1 | 124.3 (6) |
O11i—Gd1—O9 | 137.23 (14) | O2—C1—C2 | 116.6 (5) |
O6ii—Gd1—O9 | 73.63 (15) | O1—C1—C2 | 119.0 (5) |
O1—Gd1—O7 | 152.29 (14) | C3—C2—C7 | 118.4 (6) |
O11i—Gd1—O7 | 94.40 (16) | C3—C2—C1 | 115.9 (5) |
O6ii—Gd1—O7 | 73.64 (16) | C7—C2—C1 | 125.6 (5) |
O9—Gd1—O7 | 96.56 (14) | C4—C3—C2 | 122.2 (6) |
O1—Gd1—O13 | 86.39 (16) | C4—C3—H3A | 118.9 |
O11i—Gd1—O13 | 73.76 (16) | C2—C3—H3A | 118.9 |
O6ii—Gd1—O13 | 75.23 (17) | C5—C4—C3 | 118.9 (7) |
O9—Gd1—O13 | 148.85 (15) | C5—C4—H4A | 120.6 |
O7—Gd1—O13 | 73.76 (15) | C3—C4—H4A | 120.6 |
O1—Gd1—O5 | 137.99 (14) | C6—C5—C4 | 120.0 (7) |
O11i—Gd1—O5 | 74.36 (15) | C6—C5—H5A | 120.0 |
O6ii—Gd1—O5 | 124.48 (15) | C4—C5—H5A | 120.0 |
O9—Gd1—O5 | 71.31 (14) | C5—C6—C7 | 122.1 (6) |
O7—Gd1—O5 | 69.25 (14) | C5—C6—H6A | 118.9 |
O13—Gd1—O5 | 128.25 (16) | C7—C6—H6A | 118.9 |
O1—Gd1—O3 | 69.05 (14) | C6—C7—C2 | 118.4 (6) |
O11i—Gd1—O3 | 77.50 (15) | C6—C7—C8 | 116.2 (5) |
O6ii—Gd1—O3 | 130.41 (15) | C2—C7—C8 | 125.3 (6) |
O9—Gd1—O3 | 66.92 (13) | O4—C8—O3 | 120.9 (5) |
O7—Gd1—O3 | 138.11 (14) | O4—C8—C7 | 116.0 (5) |
O13—Gd1—O3 | 138.66 (14) | O3—C8—C7 | 123.0 (5) |
O5—Gd1—O3 | 68.99 (13) | O4—C8—Gd2 | 54.9 (3) |
O12iii—Gd2—O2iv | 85.41 (17) | O3—C8—Gd2 | 66.2 (3) |
O12iii—Gd2—O5 | 83.91 (15) | C7—C8—Gd2 | 170.7 (4) |
O2iv—Gd2—O5 | 138.30 (15) | O6—C9—O5 | 121.7 (6) |
O12iii—Gd2—O4 | 157.74 (16) | O6—C9—C10 | 119.2 (6) |
O2iv—Gd2—O4 | 82.00 (16) | O5—C9—C10 | 119.0 (5) |
O5—Gd2—O4 | 117.49 (14) | C15—C10—C11 | 119.1 (6) |
O12iii—Gd2—O9 | 120.99 (16) | C15—C10—C9 | 123.0 (6) |
O2iv—Gd2—O9 | 79.89 (14) | C11—C10—C9 | 117.6 (6) |
O5—Gd2—O9 | 71.65 (14) | C12—C11—C10 | 120.5 (7) |
O4—Gd2—O9 | 74.70 (14) | C12—C11—H11A | 119.8 |
O12iii—Gd2—O8iii | 82.01 (17) | C10—C11—H11A | 119.8 |
O2iv—Gd2—O8iii | 75.87 (15) | C11—C12—C13 | 119.9 (7) |
O5—Gd2—O8iii | 141.46 (14) | C11—C12—H12A | 120.0 |
O4—Gd2—O8iii | 77.17 (15) | C13—C12—H12A | 120.0 |
O9—Gd2—O8iii | 144.96 (15) | C14—C13—C12 | 120.1 (7) |
O12iii—Gd2—O7iii | 95.60 (16) | C14—C13—H13A | 119.9 |
O2iv—Gd2—O7iii | 127.02 (15) | C12—C13—H13A | 119.9 |
O5—Gd2—O7iii | 94.13 (14) | C13—C14—C15 | 120.7 (7) |
O4—Gd2—O7iii | 77.77 (15) | C13—C14—H14A | 119.7 |
O9—Gd2—O7iii | 137.75 (13) | C15—C14—H14A | 119.7 |
O8iii—Gd2—O7iii | 52.13 (14) | C14—C15—C10 | 119.6 (6) |
O12iii—Gd2—O3 | 147.94 (15) | C14—C15—C16 | 113.4 (6) |
O2iv—Gd2—O3 | 125.35 (14) | C10—C15—C16 | 127.0 (6) |
O5—Gd2—O3 | 67.19 (13) | O8—C16—O7 | 120.4 (6) |
O4—Gd2—O3 | 50.85 (13) | O8—C16—C15 | 119.1 (6) |
O9—Gd2—O3 | 63.89 (13) | O7—C16—C15 | 119.3 (5) |
O8iii—Gd2—O3 | 111.79 (14) | O8—C16—Gd2ii | 60.2 (3) |
O7iii—Gd2—O3 | 73.89 (13) | O7—C16—Gd2ii | 63.5 (3) |
O12iii—Gd2—O10 | 73.90 (15) | C15—C16—Gd2ii | 150.7 (4) |
O2iv—Gd2—O10 | 67.19 (15) | O10—C17—O9 | 119.4 (6) |
O5—Gd2—O10 | 71.11 (14) | O10—C17—C18 | 123.0 (6) |
O4—Gd2—O10 | 117.12 (14) | O9—C17—C18 | 117.6 (6) |
O9—Gd2—O10 | 47.68 (13) | O10—C17—Gd2 | 74.4 (4) |
O8iii—Gd2—O10 | 136.91 (14) | O9—C17—Gd2 | 54.0 (3) |
O7iii—Gd2—O10 | 162.42 (14) | C18—C17—Gd2 | 144.8 (4) |
O3—Gd2—O10 | 107.43 (12) | C19—C18—C23 | 120.1 (6) |
C1—O1—Gd1 | 139.9 (4) | C19—C18—C17 | 117.9 (6) |
C1—O2—Gd2v | 141.1 (4) | C23—C18—C17 | 121.8 (6) |
C8—O3—Gd1 | 129.0 (4) | C20—C19—C18 | 120.0 (7) |
C8—O3—Gd2 | 88.1 (3) | C20—C19—H19A | 120.0 |
Gd1—O3—Gd2 | 92.80 (13) | C18—C19—H19A | 120.0 |
C8—O4—Gd2 | 99.9 (4) | C21—C20—C19 | 119.8 (7) |
C9—O5—Gd2 | 118.9 (4) | C21—C20—H20A | 120.1 |
C9—O5—Gd1 | 127.9 (4) | C19—C20—H20A | 120.1 |
Gd2—O5—Gd1 | 100.72 (15) | C20—C21—C22 | 121.3 (7) |
C9—O6—Gd1iii | 163.4 (4) | C20—C21—H21A | 119.3 |
C16—O7—Gd1 | 134.2 (4) | C22—C21—H21A | 119.3 |
C16—O7—Gd2ii | 89.2 (3) | C21—C22—C23 | 119.6 (7) |
Gd1—O7—Gd2ii | 128.39 (18) | C21—C22—H22A | 120.2 |
C16—O8—Gd2ii | 94.0 (3) | C23—C22—H22A | 120.2 |
C17—O9—Gd1 | 123.1 (4) | C18—C23—C22 | 119.2 (6) |
C17—O9—Gd2 | 100.4 (3) | C18—C23—C24 | 122.1 (5) |
Gd1—O9—Gd2 | 102.49 (15) | C22—C23—C24 | 118.5 (6) |
C17—O10—Gd2 | 81.2 (4) | O11—C24—O12 | 124.9 (6) |
C24—O11—Gd1vi | 136.7 (4) | O11—C24—C23 | 117.6 (5) |
C24—O12—Gd2ii | 176.4 (4) | O12—C24—C23 | 117.5 (6) |
Symmetry codes: (i) x−1, −y+3/2, z−1/2; (ii) x, −y+3/2, z+1/2; (iii) x, −y+3/2, z−1/2; (iv) x+1, y, z; (v) x−1, y, z; (vi) x+1, −y+3/2, z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O13—H13B···O3ii | 0.84 (5) | 2.06 (6) | 2.893 (6) | 171 (8) |
O13—H13C···O10v | 0.84 (5) | 1.85 (6) | 2.677 (6) | 170 (6) |
Symmetry codes: (ii) x, −y+3/2, z+1/2; (v) x−1, y, z. |