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In the title compound, [Yb(NO
3)
3(C
12H
8N
2)
2], two bidentate 1,10-phenanthroline ligands and three bidentate nitrate anions are coordinated to the Yb cation. A crystallographic twofold rotation axis passes through the Yb atom and one nitrate group. The molecules are linked into a three-dimensional network by five C—H
O hydrogen bonds.
Supporting information
CCDC reference: 633586
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.014 Å
- R factor = 0.033
- wR factor = 0.079
- Data-to-parameter ratio = 11.6
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98
PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.97
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Yb1 - O2 .. 6.15 su
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O4
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Yb1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 15
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12 .. O3 .. 2.67 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12 .. O2 .. 2.70 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. O4 .. 2.71 Ang.
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
10 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
4 ALERT type 2 Indicator that the structure model may be wrong or deficient
2 ALERT type 3 Indicator that the structure quality may be low
4 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
Tris(nitrato-
κ2O,
O')bis(1,10-phenanthroline-
κ2N,
N')ytterbium(III)
top
Crystal data top
[Yb(NO3)3(C12H8N2)2] | F(000) = 1404 |
Mr = 719.48 | Dx = 1.916 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 2949 reflections |
a = 9.456 (2) Å | θ = 2.4–26.2° |
b = 15.451 (3) Å | µ = 3.82 mm−1 |
c = 17.104 (3) Å | T = 298 K |
β = 93.687 (2)° | Block, yellow |
V = 2493.8 (8) Å3 | 0.46 × 0.16 × 0.10 mm |
Z = 4 | |
Data collection top
Bruker SMART CCD area-detector diffractometer | 2162 independent reflections |
Radiation source: fine-focus sealed tube | 1885 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.040 |
φ and ω scans | θmax = 25.0°, θmin = 2.4° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→10 |
Tmin = 0.273, Tmax = 0.701 | k = −15→18 |
6189 measured reflections | l = −20→18 |
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)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.079 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.044P)2 + 0.0077P] where P = (Fo2 + 2Fc2)/3 |
2162 reflections | (Δ/σ)max = 0.001 |
187 parameters | Δρmax = 1.00 e Å−3 |
48 restraints | Δρmin = −0.68 e Å−3 |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Yb1 | 0.5000 | 0.61150 (2) | 0.7500 | 0.03514 (15) | |
N1 | 0.6266 (6) | 0.5849 (3) | 0.6021 (3) | 0.0463 (13) | |
N2 | 0.5000 | 0.4283 (6) | 0.7500 | 0.070 (3) | |
N3 | 0.4766 (6) | 0.7479 (3) | 0.8302 (3) | 0.0495 (13) | |
N4 | 0.7217 (5) | 0.6571 (4) | 0.8203 (3) | 0.0489 (13) | |
O1 | 0.7012 (5) | 0.6019 (3) | 0.6641 (3) | 0.0557 (12) | |
O2 | 0.4980 (4) | 0.5693 (3) | 0.6118 (3) | 0.0508 (11) | |
O3 | 0.6759 (6) | 0.5873 (4) | 0.5387 (3) | 0.0744 (16) | |
O4 | 0.3890 (6) | 0.4720 (3) | 0.7386 (3) | 0.0689 (14) | |
O5 | 0.5000 | 0.3496 (5) | 0.7500 | 0.105 (3) | |
C1 | 0.3567 (9) | 0.7902 (5) | 0.8357 (4) | 0.068 (2) | |
H1 | 0.2757 | 0.7679 | 0.8092 | 0.082* | |
C2 | 0.3432 (14) | 0.8659 (6) | 0.8785 (6) | 0.095 (3) | |
H2 | 0.2560 | 0.8928 | 0.8827 | 0.113* | |
C3 | 0.4633 (16) | 0.8979 (6) | 0.9133 (6) | 0.102 (3) | |
H3 | 0.4581 | 0.9495 | 0.9410 | 0.122* | |
C4 | 0.5958 (12) | 0.8582 (6) | 0.9103 (5) | 0.083 (3) | |
C5 | 0.5967 (9) | 0.7797 (4) | 0.8673 (4) | 0.059 (2) | |
C6 | 0.7252 (8) | 0.7322 (5) | 0.8630 (4) | 0.060 (2) | |
C7 | 0.8521 (10) | 0.7627 (7) | 0.9022 (4) | 0.082 (3) | |
C8 | 0.9682 (11) | 0.7139 (8) | 0.8988 (5) | 0.095 (3) | |
H8 | 1.0526 | 0.7332 | 0.9238 | 0.114* | |
C9 | 0.9672 (9) | 0.6371 (8) | 0.8599 (5) | 0.088 (3) | |
H9 | 1.0482 | 0.6029 | 0.8600 | 0.105* | |
C10 | 0.8394 (8) | 0.6105 (6) | 0.8191 (4) | 0.070 (2) | |
H10 | 0.8380 | 0.5591 | 0.7908 | 0.085* | |
C11 | 0.7269 (16) | 0.8856 (6) | 0.9481 (6) | 0.105 (4) | |
H11 | 0.7278 | 0.9361 | 0.9777 | 0.126* | |
C12 | 0.8447 (13) | 0.8440 (7) | 0.9435 (5) | 0.102 (3) | |
H12 | 0.9273 | 0.8672 | 0.9676 | 0.123* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Yb1 | 0.0255 (2) | 0.0408 (2) | 0.0380 (2) | 0.000 | −0.00690 (14) | 0.000 |
N1 | 0.045 (3) | 0.052 (3) | 0.042 (3) | 0.013 (2) | 0.002 (3) | 0.003 (2) |
N2 | 0.108 (9) | 0.049 (5) | 0.056 (6) | 0.000 | 0.027 (6) | 0.000 |
N3 | 0.065 (4) | 0.046 (3) | 0.038 (3) | 0.007 (3) | −0.002 (3) | 0.000 (2) |
N4 | 0.035 (3) | 0.075 (4) | 0.036 (3) | −0.006 (3) | −0.006 (2) | 0.009 (3) |
O1 | 0.034 (2) | 0.094 (4) | 0.039 (3) | 0.002 (2) | −0.0018 (19) | −0.001 (2) |
O2 | 0.035 (2) | 0.058 (3) | 0.058 (3) | 0.004 (2) | −0.006 (2) | −0.006 (2) |
O3 | 0.085 (4) | 0.095 (4) | 0.046 (3) | 0.020 (3) | 0.023 (3) | 0.006 (3) |
O4 | 0.065 (3) | 0.060 (3) | 0.081 (4) | −0.016 (3) | 0.004 (3) | −0.011 (3) |
O5 | 0.183 (11) | 0.038 (4) | 0.100 (7) | 0.000 | 0.042 (7) | 0.000 |
C1 | 0.097 (6) | 0.065 (5) | 0.042 (4) | 0.033 (4) | 0.000 (4) | −0.002 (4) |
C2 | 0.136 (8) | 0.078 (5) | 0.069 (5) | 0.038 (5) | 0.002 (5) | −0.001 (4) |
C3 | 0.165 (9) | 0.064 (5) | 0.076 (6) | 0.011 (6) | 0.000 (6) | −0.004 (4) |
C4 | 0.131 (7) | 0.070 (5) | 0.046 (4) | −0.029 (5) | −0.012 (4) | 0.000 (4) |
C5 | 0.096 (6) | 0.046 (4) | 0.034 (4) | −0.020 (4) | −0.009 (4) | 0.006 (3) |
C6 | 0.074 (5) | 0.073 (5) | 0.030 (4) | −0.043 (4) | −0.010 (3) | 0.012 (3) |
C7 | 0.084 (6) | 0.113 (6) | 0.046 (4) | −0.051 (5) | −0.015 (4) | 0.017 (4) |
C8 | 0.071 (6) | 0.144 (8) | 0.068 (5) | −0.044 (6) | −0.016 (4) | 0.034 (6) |
C9 | 0.040 (4) | 0.157 (8) | 0.067 (5) | 0.001 (5) | 0.007 (4) | 0.045 (5) |
C10 | 0.032 (4) | 0.129 (8) | 0.050 (4) | 0.001 (4) | −0.005 (3) | 0.016 (4) |
C11 | 0.160 (9) | 0.088 (6) | 0.064 (5) | −0.062 (6) | −0.004 (6) | −0.004 (5) |
C12 | 0.125 (7) | 0.124 (7) | 0.055 (5) | −0.085 (6) | −0.014 (5) | −0.003 (5) |
Geometric parameters (Å, º) top
Yb1—O4 | 2.400 (5) | C1—C2 | 1.390 (11) |
Yb1—O4i | 2.400 (5) | C1—H1 | 0.9300 |
Yb1—O2 | 2.451 (4) | C2—C3 | 1.342 (17) |
Yb1—O2i | 2.451 (4) | C2—H2 | 0.9300 |
Yb1—N4 | 2.452 (5) | C3—C4 | 1.398 (16) |
Yb1—N4i | 2.452 (5) | C3—H3 | 0.9300 |
Yb1—O1i | 2.481 (5) | C4—C5 | 1.420 (11) |
Yb1—O1 | 2.481 (5) | C4—C11 | 1.424 (16) |
Yb1—N3 | 2.533 (5) | C5—C6 | 1.425 (11) |
Yb1—N3i | 2.533 (5) | C6—C7 | 1.418 (10) |
Yb1—N1i | 2.896 (5) | C7—C8 | 1.336 (14) |
N1—O3 | 1.209 (7) | C7—C12 | 1.445 (14) |
N1—O2 | 1.261 (7) | C8—C9 | 1.361 (14) |
N1—O1 | 1.263 (7) | C8—H8 | 0.9300 |
N2—O5 | 1.217 (12) | C9—C10 | 1.416 (12) |
N2—O4i | 1.252 (7) | C9—H9 | 0.9300 |
N2—O4 | 1.252 (6) | C10—H10 | 0.9300 |
N3—C1 | 1.317 (9) | C11—C12 | 1.293 (16) |
N3—C5 | 1.356 (9) | C11—H11 | 0.9300 |
N4—C10 | 1.327 (9) | C12—H12 | 0.9300 |
N4—C6 | 1.370 (9) | | |
| | | |
O4—Yb1—O4i | 52.1 (3) | N3—Yb1—N1i | 65.75 (16) |
O4—Yb1—O2 | 72.93 (17) | N3i—Yb1—N1i | 130.30 (16) |
O4i—Yb1—O2 | 79.39 (17) | O3—N1—O2 | 123.7 (6) |
O4—Yb1—O2i | 79.39 (17) | O3—N1—O1 | 121.4 (6) |
O4i—Yb1—O2i | 72.93 (17) | O2—N1—O1 | 114.9 (5) |
O2—Yb1—O2i | 149.2 (2) | O5—N2—O4i | 122.6 (4) |
O4—Yb1—N4 | 130.82 (19) | O5—N2—O4 | 122.6 (4) |
O4i—Yb1—N4 | 82.13 (19) | O4i—N2—O4 | 114.8 (8) |
O2—Yb1—N4 | 120.18 (15) | C1—N3—C5 | 119.1 (6) |
O2i—Yb1—N4 | 69.52 (15) | C1—N3—Yb1 | 123.8 (5) |
O4—Yb1—N4i | 82.13 (19) | C5—N3—Yb1 | 117.0 (5) |
O4i—Yb1—N4i | 130.82 (19) | C10—N4—C6 | 118.5 (6) |
O2—Yb1—N4i | 69.52 (15) | C10—N4—Yb1 | 121.8 (5) |
O2i—Yb1—N4i | 120.18 (15) | C6—N4—Yb1 | 119.7 (4) |
N4—Yb1—N4i | 146.6 (3) | N1—O1—Yb1 | 95.8 (4) |
O4—Yb1—O1i | 69.33 (17) | N1—O2—Yb1 | 97.3 (3) |
O4i—Yb1—O1i | 104.25 (17) | N2—O4—Yb1 | 96.5 (5) |
O2—Yb1—O1i | 126.62 (15) | N3—C1—C2 | 124.3 (9) |
O2i—Yb1—O1i | 51.09 (15) | N3—C1—H1 | 117.9 |
N4—Yb1—O1i | 112.98 (16) | C2—C1—H1 | 117.9 |
N4i—Yb1—O1i | 69.13 (16) | C3—C2—C1 | 116.1 (10) |
O4—Yb1—O1 | 104.25 (17) | C3—C2—H2 | 122.0 |
O4i—Yb1—O1 | 69.33 (17) | C1—C2—H2 | 122.0 |
O2—Yb1—O1 | 51.09 (15) | C2—C3—C4 | 123.9 (9) |
O2i—Yb1—O1 | 126.62 (15) | C2—C3—H3 | 118.1 |
N4—Yb1—O1 | 69.13 (16) | C4—C3—H3 | 118.1 |
N4i—Yb1—O1 | 112.98 (16) | C3—C4—C5 | 115.3 (9) |
O1i—Yb1—O1 | 173.2 (2) | C3—C4—C11 | 127.5 (10) |
O4—Yb1—N3 | 137.61 (19) | C5—C4—C11 | 117.1 (11) |
O4i—Yb1—N3 | 139.15 (18) | N3—C5—C4 | 121.3 (8) |
O2—Yb1—N3 | 138.45 (16) | N3—C5—C6 | 118.7 (6) |
O2i—Yb1—N3 | 72.19 (16) | C4—C5—C6 | 120.0 (7) |
N4—Yb1—N3 | 66.22 (19) | N4—C6—C7 | 121.6 (8) |
N4i—Yb1—N3 | 85.68 (18) | N4—C6—C5 | 118.2 (6) |
O1i—Yb1—N3 | 68.38 (17) | C7—C6—C5 | 120.2 (8) |
O1—Yb1—N3 | 117.87 (17) | C8—C7—C6 | 117.7 (9) |
O4—Yb1—N3i | 139.15 (18) | C8—C7—C12 | 125.3 (9) |
O4i—Yb1—N3i | 137.61 (19) | C6—C7—C12 | 117.0 (10) |
O2—Yb1—N3i | 72.19 (16) | C7—C8—C9 | 122.3 (9) |
O2i—Yb1—N3i | 138.45 (16) | C7—C8—H8 | 118.9 |
N4—Yb1—N3i | 85.68 (18) | C9—C8—H8 | 118.9 |
N4i—Yb1—N3i | 66.22 (19) | C8—C9—C10 | 118.2 (9) |
O1i—Yb1—N3i | 117.87 (17) | C8—C9—H9 | 120.9 |
O1—Yb1—N3i | 68.38 (17) | C10—C9—H9 | 120.9 |
N3—Yb1—N3i | 67.3 (2) | N4—C10—C9 | 121.6 (9) |
O4—Yb1—N1i | 74.97 (16) | N4—C10—H10 | 119.2 |
O4i—Yb1—N1i | 90.26 (17) | C9—C10—H10 | 119.2 |
O2—Yb1—N1i | 145.75 (14) | C12—C11—C4 | 123.6 (10) |
O2i—Yb1—N1i | 25.58 (14) | C12—C11—H11 | 118.2 |
N4—Yb1—N1i | 90.05 (15) | C4—C11—H11 | 118.2 |
N4i—Yb1—N1i | 94.63 (16) | C11—C12—C7 | 122.0 (9) |
O1i—Yb1—N1i | 25.70 (15) | C11—C12—H12 | 119.0 |
O1—Yb1—N1i | 152.15 (15) | C7—C12—H12 | 119.0 |
| | | |
O4—Yb1—N3—C1 | −53.4 (6) | N4—Yb1—O2—N1 | −3.0 (4) |
O4i—Yb1—N3—C1 | −136.2 (5) | N4i—Yb1—O2—N1 | 141.5 (4) |
O2—Yb1—N3—C1 | 72.0 (6) | O1i—Yb1—O2—N1 | −177.2 (3) |
O2i—Yb1—N3—C1 | −103.7 (5) | O1—Yb1—O2—N1 | −5.4 (3) |
N4—Yb1—N3—C1 | −178.6 (6) | N3—Yb1—O2—N1 | 84.3 (4) |
N4i—Yb1—N3—C1 | 19.9 (5) | N3i—Yb1—O2—N1 | 70.9 (4) |
O1i—Yb1—N3—C1 | −49.3 (5) | N1i—Yb1—O2—N1 | −151.8 (4) |
O1—Yb1—N3—C1 | 133.7 (5) | O5—N2—O4—Yb1 | 180.0 |
N3i—Yb1—N3—C1 | 85.9 (5) | O4i—N2—O4—Yb1 | 0.000 (1) |
N1i—Yb1—N3—C1 | −77.1 (5) | O4i—Yb1—O4—N2 | 0.0 |
O4—Yb1—N3—C5 | 128.8 (4) | O2—Yb1—O4—N2 | 89.7 (3) |
O4i—Yb1—N3—C5 | 45.9 (5) | O2i—Yb1—O4—N2 | −76.5 (3) |
O2—Yb1—N3—C5 | −105.8 (4) | N4—Yb1—O4—N2 | −25.8 (4) |
O2i—Yb1—N3—C5 | 78.5 (4) | N4i—Yb1—O4—N2 | 160.6 (3) |
N4—Yb1—N3—C5 | 3.5 (4) | O1i—Yb1—O4—N2 | −128.8 (3) |
N4i—Yb1—N3—C5 | −157.9 (4) | O1—Yb1—O4—N2 | 48.8 (3) |
O1i—Yb1—N3—C5 | 132.9 (5) | N3—Yb1—O4—N2 | −124.7 (3) |
O1—Yb1—N3—C5 | −44.1 (5) | N3i—Yb1—O4—N2 | 122.1 (3) |
N3i—Yb1—N3—C5 | −91.9 (5) | N1i—Yb1—O4—N2 | −102.4 (3) |
N1i—Yb1—N3—C5 | 105.1 (4) | C5—N3—C1—C2 | −1.1 (11) |
O4—Yb1—N4—C10 | 42.9 (6) | Yb1—N3—C1—C2 | −178.8 (6) |
O4i—Yb1—N4—C10 | 22.6 (5) | N3—C1—C2—C3 | 2.6 (14) |
O2—Yb1—N4—C10 | −50.2 (5) | C1—C2—C3—C4 | −2.0 (16) |
O2i—Yb1—N4—C10 | 97.3 (5) | C2—C3—C4—C5 | −0.1 (15) |
N4i—Yb1—N4—C10 | −148.6 (5) | C2—C3—C4—C11 | −177.1 (10) |
O1i—Yb1—N4—C10 | 124.8 (5) | C1—N3—C5—C4 | −1.2 (10) |
O1—Yb1—N4—C10 | −48.2 (5) | Yb1—N3—C5—C4 | 176.7 (5) |
N3—Yb1—N4—C10 | 176.2 (5) | C1—N3—C5—C6 | 178.2 (6) |
N3i—Yb1—N4—C10 | −116.7 (5) | Yb1—N3—C5—C6 | −3.9 (7) |
N1i—Yb1—N4—C10 | 112.9 (5) | C3—C4—C5—N3 | 1.8 (11) |
O4—Yb1—N4—C6 | −136.3 (4) | C11—C4—C5—N3 | 179.1 (7) |
O4i—Yb1—N4—C6 | −156.6 (5) | C3—C4—C5—C6 | −177.6 (7) |
O2—Yb1—N4—C6 | 130.6 (4) | C11—C4—C5—C6 | −0.3 (11) |
O2i—Yb1—N4—C6 | −81.9 (4) | C10—N4—C6—C7 | 3.1 (9) |
N4i—Yb1—N4—C6 | 32.2 (4) | Yb1—N4—C6—C7 | −177.7 (5) |
O1i—Yb1—N4—C6 | −54.4 (5) | C10—N4—C6—C5 | −176.9 (6) |
O1—Yb1—N4—C6 | 132.6 (5) | Yb1—N4—C6—C5 | 2.3 (7) |
N3—Yb1—N4—C6 | −3.0 (4) | N3—C5—C6—N4 | 1.2 (9) |
N3i—Yb1—N4—C6 | 64.1 (4) | C4—C5—C6—N4 | −179.4 (6) |
N1i—Yb1—N4—C6 | −66.3 (4) | N3—C5—C6—C7 | −178.8 (6) |
O3—N1—O1—Yb1 | 168.2 (5) | C4—C5—C6—C7 | 0.6 (10) |
O2—N1—O1—Yb1 | −8.9 (5) | N4—C6—C7—C8 | −2.5 (11) |
O4—Yb1—O1—N1 | 58.9 (4) | C5—C6—C7—C8 | 177.5 (7) |
O4i—Yb1—O1—N1 | 98.3 (4) | N4—C6—C7—C12 | 178.1 (7) |
O2—Yb1—O1—N1 | 5.4 (3) | C5—C6—C7—C12 | −1.9 (10) |
O2i—Yb1—O1—N1 | 146.1 (3) | C6—C7—C8—C9 | −0.5 (13) |
N4—Yb1—O1—N1 | −172.4 (4) | C12—C7—C8—C9 | 178.8 (8) |
N4i—Yb1—O1—N1 | −28.5 (4) | C7—C8—C9—C10 | 2.8 (13) |
N3—Yb1—O1—N1 | −126.0 (3) | C6—N4—C10—C9 | −0.8 (10) |
N3i—Yb1—O1—N1 | −78.7 (4) | Yb1—N4—C10—C9 | −179.9 (5) |
N1i—Yb1—O1—N1 | 143.6 (5) | C8—C9—C10—N4 | −2.1 (12) |
O3—N1—O2—Yb1 | −168.0 (5) | C3—C4—C11—C12 | 178.6 (10) |
O1—N1—O2—Yb1 | 9.1 (5) | C5—C4—C11—C12 | 1.6 (15) |
O4—Yb1—O2—N1 | −130.7 (4) | C4—C11—C12—C7 | −3.2 (17) |
O4i—Yb1—O2—N1 | −77.3 (4) | C8—C7—C12—C11 | −176.1 (10) |
O2i—Yb1—O2—N1 | −103.6 (3) | C6—C7—C12—C11 | 3.3 (14) |
Symmetry code: (i) −x+1, y, −z+3/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C12—H12···O3ii | 0.93 | 2.67 | 3.595 (12) | 173 |
C12—H12···O2ii | 0.93 | 2.70 | 3.412 (10) | 134 |
C9—H9···O1iii | 0.93 | 2.43 | 3.234 (9) | 145 |
C11—H11···O3iv | 0.93 | 2.53 | 3.253 (10) | 135 |
C2—H2···O4v | 0.93 | 2.71 | 3.309 (11) | 123 |
Symmetry codes: (ii) x+1/2, −y+3/2, z+1/2; (iii) −x+2, y, −z+3/2; (iv) −x+3/2, y+1/2, −z+3/2; (v) −x+1/2, y+1/2, −z+3/2. |
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