Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807002176/ng2206sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807002176/ng2206Isup2.hkl |
CCDC reference: 636766
Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Ga(C10H8NO)2(C18H13O)] | F(000) = 1304 |
Mr = 631.35 | Dx = 1.389 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 19773 reflections |
a = 15.4090 (2) Å | θ = 1.0–27.5° |
b = 13.0970 (2) Å | µ = 0.95 mm−1 |
c = 15.7150 (2) Å | T = 293 K |
β = 107.7830 (7)° | Cube, green |
V = 3019.94 (7) Å3 | 0.47 × 0.42 × 0.37 mm |
Z = 4 |
KappaCCD diffractometer | 6868 independent reflections |
Radiation source: fine-focus sealed tube | 5361 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.062 |
Detector resolution: 9 pixels mm-1 | θmax = 27.5°, θmin = 4.2° |
φ and ω scans | h = −19→19 |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | k = −16→16 |
Tmin = 0.538, Tmax = 0.703 | l = −19→20 |
34545 measured reflections |
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)] = 0.035 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.096 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0496P)2 + 0.7063P] where P = (Fo2 + 2Fc2)/3 |
6868 reflections | (Δ/σ)max = 0.002 |
399 parameters | Δρmax = 0.32 e Å−3 |
0 restraints | Δρmin = −0.51 e Å−3 |
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 | ||
Ga1 | 0.791656 (13) | 0.069387 (15) | 0.593235 (13) | 0.03331 (8) | |
O1 | 0.86331 (9) | 0.11165 (11) | 0.70666 (9) | 0.0437 (3) | |
O2 | 0.68252 (9) | 0.13301 (10) | 0.52862 (9) | 0.0420 (3) | |
O3 | 0.84002 (9) | −0.03122 (10) | 0.54032 (9) | 0.0387 (3) | |
N1 | 0.72552 (10) | −0.01904 (12) | 0.66594 (10) | 0.0352 (3) | |
N2 | 0.84995 (11) | 0.18309 (12) | 0.53303 (10) | 0.0367 (3) | |
C1 | 0.60384 (15) | −0.0967 (2) | 0.54494 (14) | 0.0542 (6) | |
H1A | 0.6180 | −0.0417 | 0.5110 | 0.081* | |
H1B | 0.5396 | −0.0970 | 0.5371 | 0.081* | |
H1C | 0.6212 | −0.1604 | 0.5246 | 0.081* | |
C2 | 0.65492 (14) | −0.08239 (15) | 0.64179 (14) | 0.0416 (4) | |
C3 | 0.62923 (16) | −0.13723 (18) | 0.70749 (16) | 0.0558 (6) | |
H3 | 0.5804 | −0.1823 | 0.6901 | 0.067* | |
C4 | 0.67443 (16) | −0.12538 (18) | 0.79540 (15) | 0.0550 (6) | |
H4 | 0.6564 | −0.1623 | 0.8377 | 0.066* | |
C5 | 0.74807 (15) | −0.05789 (15) | 0.82315 (13) | 0.0420 (4) | |
C6 | 0.77167 (12) | −0.00601 (14) | 0.75472 (12) | 0.0344 (4) | |
C7 | 0.84538 (13) | 0.06431 (14) | 0.77455 (13) | 0.0379 (4) | |
C8 | 0.89403 (16) | 0.07909 (17) | 0.86316 (14) | 0.0492 (5) | |
H8 | 0.9426 | 0.1247 | 0.8782 | 0.059* | |
C9 | 0.87128 (16) | 0.02621 (18) | 0.93097 (14) | 0.0521 (5) | |
H9 | 0.9058 | 0.0368 | 0.9901 | 0.063* | |
C10 | 0.80013 (17) | −0.04015 (17) | 0.91251 (14) | 0.0501 (5) | |
H10 | 0.7859 | −0.0737 | 0.9587 | 0.060* | |
C11 | 1.01010 (15) | 0.1410 (2) | 0.59882 (18) | 0.0654 (7) | |
H11A | 1.0028 | 0.1391 | 0.6573 | 0.098* | |
H11B | 1.0681 | 0.1706 | 0.6024 | 0.098* | |
H11C | 1.0072 | 0.0728 | 0.5757 | 0.098* | |
C12 | 0.93588 (14) | 0.20377 (17) | 0.53835 (15) | 0.0480 (5) | |
C13 | 0.95556 (18) | 0.2830 (2) | 0.48650 (18) | 0.0649 (7) | |
H13 | 1.0159 | 0.2982 | 0.4915 | 0.078* | |
C14 | 0.88729 (19) | 0.3375 (2) | 0.42914 (18) | 0.0673 (7) | |
H14 | 0.9014 | 0.3890 | 0.3948 | 0.081* | |
C15 | 0.79524 (17) | 0.31659 (17) | 0.42120 (14) | 0.0507 (5) | |
C16 | 0.78072 (13) | 0.23718 (14) | 0.47595 (12) | 0.0380 (4) | |
C17 | 0.69149 (13) | 0.20837 (15) | 0.47485 (12) | 0.0392 (4) | |
C18 | 0.61935 (16) | 0.26023 (17) | 0.41824 (15) | 0.0515 (5) | |
H18 | 0.5602 | 0.2434 | 0.4166 | 0.062* | |
C19 | 0.63364 (19) | 0.33837 (19) | 0.36277 (15) | 0.0615 (6) | |
H19 | 0.5835 | 0.3717 | 0.3246 | 0.074* | |
C20 | 0.7189 (2) | 0.36657 (18) | 0.36340 (15) | 0.0610 (6) | |
H20 | 0.7266 | 0.4184 | 0.3260 | 0.073* | |
C21 | 0.96710 (15) | −0.13752 (16) | 0.69502 (15) | 0.0497 (5) | |
H21 | 0.9857 | −0.1002 | 0.6533 | 0.060* | |
C22 | 1.01628 (18) | −0.13136 (19) | 0.78455 (18) | 0.0644 (7) | |
H22 | 1.0674 | −0.0895 | 0.8025 | 0.077* | |
C23 | 0.99062 (19) | −0.1861 (2) | 0.84722 (17) | 0.0687 (7) | |
H23 | 1.0245 | −0.1817 | 0.9073 | 0.082* | |
C24 | 0.91478 (19) | −0.2475 (2) | 0.82119 (17) | 0.0657 (7) | |
H24 | 0.8971 | −0.2848 | 0.8635 | 0.079* | |
C25 | 0.86483 (16) | −0.25353 (18) | 0.73188 (15) | 0.0528 (5) | |
H25 | 0.8133 | −0.2948 | 0.7147 | 0.063* | |
C26 | 0.89011 (13) | −0.19899 (15) | 0.66674 (13) | 0.0403 (4) | |
C27 | 0.83586 (13) | −0.20999 (15) | 0.57157 (13) | 0.0390 (4) | |
C28 | 0.80750 (15) | −0.30753 (16) | 0.53879 (15) | 0.0507 (5) | |
H28 | 0.8244 | −0.3635 | 0.5767 | 0.061* | |
C29 | 0.75489 (17) | −0.32270 (18) | 0.45134 (16) | 0.0584 (6) | |
H29 | 0.7374 | −0.3884 | 0.4305 | 0.070* | |
C30 | 0.72837 (16) | −0.24034 (18) | 0.39515 (15) | 0.0531 (5) | |
H30 | 0.6924 | −0.2510 | 0.3365 | 0.064* | |
C31 | 0.75431 (14) | −0.14124 (16) | 0.42427 (13) | 0.0424 (4) | |
C32 | 0.81061 (13) | −0.12590 (14) | 0.51316 (13) | 0.0371 (4) | |
C33 | 0.71999 (16) | −0.05512 (17) | 0.36161 (13) | 0.0497 (5) | |
C34 | 0.62774 (19) | −0.0523 (2) | 0.31176 (16) | 0.0689 (7) | |
H34 | 0.5881 | −0.1024 | 0.3196 | 0.083* | |
C35 | 0.5955 (3) | 0.0263 (3) | 0.25022 (18) | 0.0960 (12) | |
H35 | 0.5339 | 0.0288 | 0.2177 | 0.115* | |
C36 | 0.6530 (3) | 0.0992 (3) | 0.2373 (2) | 0.0962 (13) | |
H36 | 0.6309 | 0.1500 | 0.1948 | 0.115* | |
C37 | 0.7433 (3) | 0.0982 (2) | 0.28628 (19) | 0.0817 (10) | |
H37 | 0.7821 | 0.1489 | 0.2778 | 0.098* | |
C38 | 0.77656 (19) | 0.02179 (18) | 0.34833 (15) | 0.0576 (6) | |
H38 | 0.8379 | 0.0219 | 0.3817 | 0.069* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ga1 | 0.03595 (12) | 0.03047 (12) | 0.03556 (12) | −0.00194 (8) | 0.01396 (9) | −0.00005 (8) |
O1 | 0.0485 (8) | 0.0453 (8) | 0.0392 (7) | −0.0153 (6) | 0.0160 (6) | −0.0053 (6) |
O2 | 0.0373 (7) | 0.0405 (8) | 0.0500 (8) | 0.0006 (6) | 0.0161 (6) | 0.0082 (6) |
O3 | 0.0444 (7) | 0.0309 (6) | 0.0450 (7) | −0.0024 (6) | 0.0201 (6) | −0.0038 (6) |
N1 | 0.0358 (8) | 0.0343 (8) | 0.0370 (8) | −0.0029 (6) | 0.0136 (7) | 0.0009 (6) |
N2 | 0.0414 (8) | 0.0339 (8) | 0.0400 (8) | −0.0023 (7) | 0.0203 (7) | −0.0013 (6) |
C1 | 0.0472 (12) | 0.0653 (14) | 0.0489 (12) | −0.0179 (11) | 0.0130 (10) | −0.0044 (11) |
C2 | 0.0386 (10) | 0.0416 (11) | 0.0456 (11) | −0.0059 (8) | 0.0144 (9) | −0.0009 (8) |
C3 | 0.0556 (13) | 0.0559 (14) | 0.0586 (14) | −0.0220 (11) | 0.0213 (11) | 0.0017 (11) |
C4 | 0.0648 (14) | 0.0550 (14) | 0.0508 (13) | −0.0132 (11) | 0.0258 (11) | 0.0096 (10) |
C5 | 0.0516 (12) | 0.0359 (10) | 0.0417 (10) | 0.0018 (9) | 0.0190 (9) | 0.0046 (8) |
C6 | 0.0384 (9) | 0.0312 (9) | 0.0358 (9) | 0.0028 (7) | 0.0147 (8) | 0.0001 (7) |
C7 | 0.0422 (10) | 0.0344 (10) | 0.0390 (10) | −0.0011 (8) | 0.0149 (8) | −0.0026 (8) |
C8 | 0.0503 (12) | 0.0518 (13) | 0.0426 (11) | −0.0070 (10) | 0.0100 (9) | −0.0086 (9) |
C9 | 0.0630 (14) | 0.0552 (13) | 0.0345 (10) | 0.0029 (11) | 0.0093 (10) | −0.0040 (9) |
C10 | 0.0688 (14) | 0.0476 (12) | 0.0373 (11) | 0.0047 (11) | 0.0210 (10) | 0.0061 (9) |
C11 | 0.0390 (11) | 0.0736 (17) | 0.0854 (18) | −0.0024 (11) | 0.0217 (12) | 0.0108 (14) |
C12 | 0.0462 (11) | 0.0456 (12) | 0.0596 (13) | −0.0042 (9) | 0.0271 (10) | −0.0010 (10) |
C13 | 0.0603 (14) | 0.0620 (15) | 0.0877 (19) | −0.0090 (12) | 0.0455 (14) | 0.0100 (13) |
C14 | 0.0873 (19) | 0.0565 (15) | 0.0758 (17) | −0.0056 (14) | 0.0513 (15) | 0.0164 (13) |
C15 | 0.0733 (15) | 0.0407 (11) | 0.0463 (11) | −0.0014 (10) | 0.0307 (11) | 0.0049 (9) |
C16 | 0.0502 (11) | 0.0322 (9) | 0.0359 (10) | 0.0017 (8) | 0.0195 (9) | −0.0005 (7) |
C17 | 0.0462 (11) | 0.0349 (10) | 0.0371 (10) | 0.0024 (8) | 0.0137 (8) | −0.0013 (8) |
C18 | 0.0511 (12) | 0.0490 (12) | 0.0500 (12) | 0.0052 (10) | 0.0087 (10) | 0.0033 (10) |
C19 | 0.0771 (17) | 0.0524 (14) | 0.0466 (13) | 0.0132 (13) | 0.0062 (12) | 0.0091 (10) |
C20 | 0.0918 (19) | 0.0477 (13) | 0.0476 (13) | 0.0104 (13) | 0.0275 (13) | 0.0151 (10) |
C21 | 0.0463 (11) | 0.0418 (11) | 0.0584 (13) | 0.0016 (9) | 0.0120 (10) | 0.0028 (9) |
C22 | 0.0565 (14) | 0.0512 (14) | 0.0705 (16) | 0.0006 (11) | −0.0029 (12) | −0.0042 (12) |
C23 | 0.0734 (17) | 0.0724 (18) | 0.0509 (14) | 0.0156 (14) | 0.0049 (13) | 0.0000 (12) |
C24 | 0.0762 (17) | 0.0734 (17) | 0.0512 (14) | 0.0129 (14) | 0.0250 (13) | 0.0138 (12) |
C25 | 0.0515 (12) | 0.0530 (13) | 0.0551 (13) | 0.0001 (10) | 0.0182 (11) | 0.0085 (10) |
C26 | 0.0389 (10) | 0.0349 (10) | 0.0485 (11) | 0.0044 (8) | 0.0154 (9) | 0.0010 (8) |
C27 | 0.0385 (10) | 0.0361 (10) | 0.0446 (11) | −0.0017 (8) | 0.0160 (8) | −0.0007 (8) |
C28 | 0.0597 (13) | 0.0357 (11) | 0.0596 (13) | −0.0059 (9) | 0.0225 (11) | −0.0012 (9) |
C29 | 0.0719 (15) | 0.0409 (12) | 0.0632 (14) | −0.0158 (11) | 0.0222 (12) | −0.0139 (10) |
C30 | 0.0595 (13) | 0.0535 (14) | 0.0473 (12) | −0.0105 (11) | 0.0179 (10) | −0.0135 (10) |
C31 | 0.0453 (11) | 0.0438 (11) | 0.0422 (10) | −0.0002 (9) | 0.0193 (9) | −0.0028 (8) |
C32 | 0.0386 (10) | 0.0348 (10) | 0.0440 (10) | −0.0028 (8) | 0.0217 (8) | −0.0046 (8) |
C33 | 0.0623 (14) | 0.0550 (13) | 0.0343 (10) | 0.0101 (11) | 0.0185 (10) | −0.0047 (9) |
C34 | 0.0688 (17) | 0.090 (2) | 0.0461 (13) | 0.0180 (14) | 0.0147 (12) | −0.0021 (12) |
C35 | 0.101 (2) | 0.133 (3) | 0.0441 (15) | 0.058 (2) | 0.0074 (16) | −0.0051 (18) |
C36 | 0.160 (4) | 0.082 (2) | 0.0531 (17) | 0.058 (2) | 0.041 (2) | 0.0189 (15) |
C37 | 0.147 (3) | 0.0564 (16) | 0.0520 (15) | 0.0185 (19) | 0.0452 (19) | 0.0073 (12) |
C38 | 0.0881 (18) | 0.0480 (13) | 0.0426 (12) | 0.0089 (12) | 0.0289 (12) | 0.0014 (10) |
Ga1—O3 | 1.8334 (13) | C16—C17 | 1.421 (3) |
Ga1—O1 | 1.8710 (13) | C17—C18 | 1.373 (3) |
Ga1—O2 | 1.8736 (13) | C18—C19 | 1.405 (3) |
Ga1—N1 | 2.0968 (15) | C18—H18 | 0.9300 |
Ga1—N2 | 2.1067 (15) | C19—C20 | 1.361 (4) |
O1—C7 | 1.334 (2) | C19—H19 | 0.9300 |
O2—C17 | 1.334 (2) | C20—H20 | 0.9300 |
O3—C32 | 1.344 (2) | C21—C22 | 1.382 (3) |
N1—C2 | 1.328 (2) | C21—C26 | 1.390 (3) |
N1—C6 | 1.369 (2) | C21—H21 | 0.9300 |
N2—C12 | 1.329 (2) | C22—C23 | 1.371 (4) |
N2—C16 | 1.364 (2) | C22—H22 | 0.9300 |
C1—C2 | 1.496 (3) | C23—C24 | 1.374 (4) |
C1—H1A | 0.9600 | C23—H23 | 0.9300 |
C1—H1B | 0.9600 | C24—C25 | 1.382 (3) |
C1—H1C | 0.9600 | C24—H24 | 0.9300 |
C2—C3 | 1.410 (3) | C25—C26 | 1.398 (3) |
C3—C4 | 1.353 (3) | C25—H25 | 0.9300 |
C3—H3 | 0.9300 | C26—C27 | 1.481 (3) |
C4—C5 | 1.399 (3) | C27—C28 | 1.397 (3) |
C4—H4 | 0.9300 | C27—C32 | 1.410 (3) |
C5—C10 | 1.408 (3) | C28—C29 | 1.380 (3) |
C5—C6 | 1.410 (3) | C28—H28 | 0.9300 |
C6—C7 | 1.421 (3) | C29—C30 | 1.375 (3) |
C7—C8 | 1.379 (3) | C29—H29 | 0.9300 |
C8—C9 | 1.402 (3) | C30—C31 | 1.394 (3) |
C8—H8 | 0.9300 | C30—H30 | 0.9300 |
C9—C10 | 1.359 (3) | C31—C32 | 1.416 (3) |
C9—H9 | 0.9300 | C31—C33 | 1.484 (3) |
C10—H10 | 0.9300 | C33—C38 | 1.389 (3) |
C11—C12 | 1.491 (3) | C33—C34 | 1.398 (4) |
C11—H11A | 0.9600 | C34—C35 | 1.395 (4) |
C11—H11B | 0.9600 | C34—H34 | 0.9300 |
C11—H11C | 0.9600 | C35—C36 | 1.360 (6) |
C12—C13 | 1.408 (3) | C35—H35 | 0.9300 |
C13—C14 | 1.360 (4) | C36—C37 | 1.369 (5) |
C13—H13 | 0.9300 | C36—H36 | 0.9300 |
C14—C15 | 1.412 (3) | C37—C38 | 1.382 (4) |
C14—H14 | 0.9300 | C37—H37 | 0.9300 |
C15—C20 | 1.409 (3) | C38—H38 | 0.9300 |
C15—C16 | 1.411 (3) | ||
O3—Ga1—O1 | 116.19 (6) | N2—C16—C15 | 123.12 (19) |
O3—Ga1—O2 | 119.72 (6) | N2—C16—C17 | 115.45 (16) |
O1—Ga1—O2 | 123.75 (6) | C15—C16—C17 | 121.44 (19) |
O3—Ga1—N1 | 100.53 (6) | O2—C17—C18 | 123.83 (19) |
O1—Ga1—N1 | 83.56 (6) | O2—C17—C16 | 118.42 (17) |
O2—Ga1—N1 | 92.05 (6) | C18—C17—C16 | 117.75 (18) |
O3—Ga1—N2 | 90.93 (6) | C17—C18—C19 | 120.9 (2) |
O1—Ga1—N2 | 90.59 (6) | C17—C18—H18 | 119.6 |
O2—Ga1—N2 | 82.96 (6) | C19—C18—H18 | 119.6 |
N1—Ga1—N2 | 168.51 (6) | C20—C19—C18 | 121.8 (2) |
C7—O1—Ga1 | 114.73 (12) | C20—C19—H19 | 119.1 |
C17—O2—Ga1 | 115.02 (12) | C18—C19—H19 | 119.1 |
C32—O3—Ga1 | 131.50 (11) | C19—C20—C15 | 119.5 (2) |
C2—N1—C6 | 119.61 (15) | C19—C20—H20 | 120.2 |
C2—N1—Ga1 | 132.96 (13) | C15—C20—H20 | 120.2 |
C6—N1—Ga1 | 107.38 (11) | C22—C21—C26 | 120.6 (2) |
C12—N2—C16 | 119.97 (17) | C22—C21—H21 | 119.7 |
C12—N2—Ga1 | 132.00 (14) | C26—C21—H21 | 119.7 |
C16—N2—Ga1 | 107.91 (12) | C23—C22—C21 | 120.8 (2) |
C2—C1—H1A | 109.5 | C23—C22—H22 | 119.6 |
C2—C1—H1B | 109.5 | C21—C22—H22 | 119.6 |
H1A—C1—H1B | 109.5 | C22—C23—C24 | 119.9 (2) |
C2—C1—H1C | 109.5 | C22—C23—H23 | 120.1 |
H1A—C1—H1C | 109.5 | C24—C23—H23 | 120.1 |
H1B—C1—H1C | 109.5 | C23—C24—C25 | 119.7 (2) |
N1—C2—C3 | 119.85 (19) | C23—C24—H24 | 120.1 |
N1—C2—C1 | 119.94 (17) | C25—C24—H24 | 120.1 |
C3—C2—C1 | 120.21 (18) | C24—C25—C26 | 121.4 (2) |
C4—C3—C2 | 121.1 (2) | C24—C25—H25 | 119.3 |
C4—C3—H3 | 119.4 | C26—C25—H25 | 119.3 |
C2—C3—H3 | 119.4 | C21—C26—C25 | 117.6 (2) |
C3—C4—C5 | 120.43 (19) | C21—C26—C27 | 122.88 (18) |
C3—C4—H4 | 119.8 | C25—C26—C27 | 119.50 (18) |
C5—C4—H4 | 119.8 | C28—C27—C32 | 118.76 (19) |
C4—C5—C10 | 125.18 (19) | C28—C27—C26 | 118.56 (18) |
C4—C5—C6 | 116.12 (18) | C32—C27—C26 | 122.67 (17) |
C10—C5—C6 | 118.69 (19) | C29—C28—C27 | 121.4 (2) |
N1—C6—C5 | 122.83 (17) | C29—C28—H28 | 119.3 |
N1—C6—C7 | 115.83 (16) | C27—C28—H28 | 119.3 |
C5—C6—C7 | 121.33 (17) | C30—C29—C28 | 119.7 (2) |
O1—C7—C8 | 124.13 (18) | C30—C29—H29 | 120.1 |
O1—C7—C6 | 118.22 (17) | C28—C29—H29 | 120.1 |
C8—C7—C6 | 117.65 (18) | C29—C30—C31 | 121.4 (2) |
C7—C8—C9 | 120.9 (2) | C29—C30—H30 | 119.3 |
C7—C8—H8 | 119.6 | C31—C30—H30 | 119.3 |
C9—C8—H8 | 119.6 | C30—C31—C32 | 118.95 (19) |
C10—C9—C8 | 121.8 (2) | C30—C31—C33 | 118.78 (19) |
C10—C9—H9 | 119.1 | C32—C31—C33 | 122.25 (18) |
C8—C9—H9 | 119.1 | O3—C32—C27 | 120.96 (17) |
C9—C10—C5 | 119.68 (19) | O3—C32—C31 | 119.33 (17) |
C9—C10—H10 | 120.2 | C27—C32—C31 | 119.71 (17) |
C5—C10—H10 | 120.2 | C38—C33—C34 | 118.3 (2) |
C12—C11—H11A | 109.5 | C38—C33—C31 | 122.5 (2) |
C12—C11—H11B | 109.5 | C34—C33—C31 | 119.2 (2) |
H11A—C11—H11B | 109.5 | C35—C34—C33 | 119.6 (3) |
C12—C11—H11C | 109.5 | C35—C34—H34 | 120.2 |
H11A—C11—H11C | 109.5 | C33—C34—H34 | 120.2 |
H11B—C11—H11C | 109.5 | C36—C35—C34 | 120.7 (3) |
N2—C12—C13 | 120.0 (2) | C36—C35—H35 | 119.6 |
N2—C12—C11 | 118.90 (19) | C34—C35—H35 | 119.6 |
C13—C12—C11 | 121.1 (2) | C35—C36—C37 | 120.4 (3) |
C14—C13—C12 | 120.7 (2) | C35—C36—H36 | 119.8 |
C14—C13—H13 | 119.6 | C37—C36—H36 | 119.8 |
C12—C13—H13 | 119.6 | C36—C37—C38 | 119.9 (3) |
C13—C14—C15 | 120.6 (2) | C36—C37—H37 | 120.1 |
C13—C14—H14 | 119.7 | C38—C37—H37 | 120.1 |
C15—C14—H14 | 119.7 | C37—C38—C33 | 121.1 (3) |
C20—C15—C16 | 118.6 (2) | C37—C38—H38 | 119.5 |
C20—C15—C14 | 125.8 (2) | C33—C38—H38 | 119.5 |
C16—C15—C14 | 115.5 (2) | ||
O3—Ga1—O1—C7 | −93.95 (14) | C12—C13—C14—C15 | 0.8 (4) |
O2—Ga1—O1—C7 | 92.81 (14) | C13—C14—C15—C20 | −179.0 (2) |
N1—Ga1—O1—C7 | 4.64 (13) | C13—C14—C15—C16 | 0.0 (4) |
N2—Ga1—O1—C7 | 174.73 (14) | C12—N2—C16—C15 | −0.6 (3) |
O3—Ga1—O2—C17 | −82.68 (14) | Ga1—N2—C16—C15 | −177.03 (15) |
O1—Ga1—O2—C17 | 90.34 (14) | C12—N2—C16—C17 | 179.46 (17) |
N1—Ga1—O2—C17 | 173.97 (13) | Ga1—N2—C16—C17 | 2.98 (19) |
N2—Ga1—O2—C17 | 4.36 (13) | C20—C15—C16—N2 | 178.93 (19) |
O1—Ga1—O3—C32 | 119.07 (16) | C14—C15—C16—N2 | −0.2 (3) |
O2—Ga1—O3—C32 | −67.39 (17) | C20—C15—C16—C17 | −1.1 (3) |
N1—Ga1—O3—C32 | 31.12 (17) | C14—C15—C16—C17 | 179.83 (19) |
N2—Ga1—O3—C32 | −149.81 (16) | Ga1—O2—C17—C18 | 176.04 (16) |
O3—Ga1—N1—C2 | −66.05 (18) | Ga1—O2—C17—C16 | −4.0 (2) |
O1—Ga1—N1—C2 | 178.43 (19) | N2—C16—C17—O2 | 0.3 (3) |
O2—Ga1—N1—C2 | 54.69 (18) | C15—C16—C17—O2 | −179.65 (17) |
N2—Ga1—N1—C2 | 118.6 (3) | N2—C16—C17—C18 | −179.75 (18) |
O3—Ga1—N1—C6 | 111.28 (12) | C15—C16—C17—C18 | 0.3 (3) |
O1—Ga1—N1—C6 | −4.24 (12) | O2—C17—C18—C19 | −179.46 (19) |
O2—Ga1—N1—C6 | −127.98 (12) | C16—C17—C18—C19 | 0.6 (3) |
N2—Ga1—N1—C6 | −64.0 (3) | C17—C18—C19—C20 | −0.7 (4) |
O3—Ga1—N2—C12 | −60.05 (18) | C18—C19—C20—C15 | −0.1 (4) |
O1—Ga1—N2—C12 | 56.16 (18) | C16—C15—C20—C19 | 1.0 (3) |
O2—Ga1—N2—C12 | −179.88 (19) | C14—C15—C20—C19 | 180.0 (2) |
N1—Ga1—N2—C12 | 115.3 (3) | C26—C21—C22—C23 | 0.4 (4) |
O3—Ga1—N2—C16 | 115.84 (12) | C21—C22—C23—C24 | −0.4 (4) |
O1—Ga1—N2—C16 | −127.95 (12) | C22—C23—C24—C25 | 0.0 (4) |
O2—Ga1—N2—C16 | −4.00 (12) | C23—C24—C25—C26 | 0.5 (4) |
N1—Ga1—N2—C16 | −68.8 (3) | C22—C21—C26—C25 | 0.1 (3) |
C6—N1—C2—C3 | −1.3 (3) | C22—C21—C26—C27 | −178.8 (2) |
Ga1—N1—C2—C3 | 175.76 (16) | C24—C25—C26—C21 | −0.5 (3) |
C6—N1—C2—C1 | 179.69 (19) | C24—C25—C26—C27 | 178.4 (2) |
Ga1—N1—C2—C1 | −3.2 (3) | C21—C26—C27—C28 | 135.8 (2) |
N1—C2—C3—C4 | 1.1 (4) | C25—C26—C27—C28 | −43.1 (3) |
C1—C2—C3—C4 | −179.9 (2) | C21—C26—C27—C32 | −45.2 (3) |
C2—C3—C4—C5 | 0.1 (4) | C25—C26—C27—C32 | 136.0 (2) |
C3—C4—C5—C10 | −179.6 (2) | C32—C27—C28—C29 | −0.7 (3) |
C3—C4—C5—C6 | −0.9 (3) | C26—C27—C28—C29 | 178.38 (19) |
C2—N1—C6—C5 | 0.5 (3) | C27—C28—C29—C30 | −1.0 (4) |
Ga1—N1—C6—C5 | −177.29 (15) | C28—C29—C30—C31 | 0.7 (4) |
C2—N1—C6—C7 | −179.08 (17) | C29—C30—C31—C32 | 1.2 (3) |
Ga1—N1—C6—C7 | 3.17 (19) | C29—C30—C31—C33 | −177.2 (2) |
C4—C5—C6—N1 | 0.6 (3) | Ga1—O3—C32—C27 | −89.5 (2) |
C10—C5—C6—N1 | 179.44 (18) | Ga1—O3—C32—C31 | 91.18 (19) |
C4—C5—C6—C7 | −179.84 (19) | C28—C27—C32—O3 | −176.65 (18) |
C10—C5—C6—C7 | −1.0 (3) | C26—C27—C32—O3 | 4.3 (3) |
Ga1—O1—C7—C8 | 175.62 (16) | C28—C27—C32—C31 | 2.6 (3) |
Ga1—O1—C7—C6 | −4.3 (2) | C26—C27—C32—C31 | −176.41 (17) |
N1—C6—C7—O1 | 0.3 (3) | C30—C31—C32—O3 | 176.39 (18) |
C5—C6—C7—O1 | −179.20 (17) | C33—C31—C32—O3 | −5.2 (3) |
N1—C6—C7—C8 | −179.56 (18) | C30—C31—C32—C27 | −2.9 (3) |
C5—C6—C7—C8 | 0.9 (3) | C33—C31—C32—C27 | 175.52 (18) |
O1—C7—C8—C9 | −179.8 (2) | C30—C31—C33—C38 | −132.3 (2) |
C6—C7—C8—C9 | 0.1 (3) | C32—C31—C33—C38 | 49.3 (3) |
C7—C8—C9—C10 | −1.0 (4) | C30—C31—C33—C34 | 45.7 (3) |
C8—C9—C10—C5 | 0.8 (3) | C32—C31—C33—C34 | −132.7 (2) |
C4—C5—C10—C9 | 178.9 (2) | C38—C33—C34—C35 | 0.5 (3) |
C6—C5—C10—C9 | 0.2 (3) | C31—C33—C34—C35 | −177.6 (2) |
C16—N2—C12—C13 | 1.4 (3) | C33—C34—C35—C36 | 1.0 (4) |
Ga1—N2—C12—C13 | 176.85 (16) | C34—C35—C36—C37 | −1.8 (5) |
C16—N2—C12—C11 | −177.8 (2) | C35—C36—C37—C38 | 1.1 (5) |
Ga1—N2—C12—C11 | −2.3 (3) | C36—C37—C38—C33 | 0.5 (4) |
N2—C12—C13—C14 | −1.5 (4) | C34—C33—C38—C37 | −1.3 (3) |
C11—C12—C13—C14 | 177.6 (3) | C31—C33—C38—C37 | 176.8 (2) |