Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804002867/tk6150sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804002867/tk6150Isup2.hkl |
CCDC reference: 236031
Key indicators
- Single-crystal X-ray study
- T = 240 K
- Mean (C-C) = 0.009 Å
- R factor = 0.048
- wR factor = 0.124
- Data-to-parameter ratio = 13.3
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............ 24.10 Deg. PLAT761_ALERT_1_A CIF Contains no X-H Bonds ...................... ?
Alert level B THETM01_ALERT_3_B The value of sine(theta_max)/wavelength is less than 0.575 Calculated sin(theta_max)/wavelength = 0.5745
Alert level C PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6]..... 24.10 Deg. PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
2 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: Siemens P3R3 software; cell refinement: Siemens P3R3 software; data reduction: SHELXTL-Plus (Sheldrick, 1994); program(s) used to solve structure: SHELXS90 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldick, 1994); software used to prepare material for publication: SHELXL97.
[In(C2H5)(C14H13N2)2] | Z = 2 |
Mr = 562.41 | F(000) = 576 |
Triclinic, P1 | Dx = 1.392 Mg m−3 |
a = 10.056 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.014 (7) Å | Cell parameters from 18 reflections |
c = 12.842 (8) Å | θ = 10–11° |
α = 107.11 (5)° | µ = 0.91 mm−1 |
β = 94.83 (5)° | T = 240 K |
γ = 111.92 (4)° | Block, colourless |
V = 1342.3 (15) Å3 | 0.37 × 0.35 × 0.27 mm |
Siemens P3/R3 diffractometer | Rint = 0.076 |
ω–2θ scans | θmax = 24.1°, θmin = 2.1° |
Absorption correction: gaussian (Alcock, 1970) | h = 0→11 |
Tmin = 0.731, Tmax = 0.792 | k = −13→12 |
4504 measured reflections | l = −14→14 |
4232 independent reflections | 3 standard reflections every 200 reflections |
3640 reflections with I > 2σ(I) | intensity decay: 6% |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.048 | w = 1/[σ2(Fo2) + (0.0878P)2 + 0.2286P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.124 | (Δ/σ)max < 0.001 |
S = 1.05 | Δρmax = 1.15 e Å−3 |
4232 reflections | Δρmin = −1.23 e Å−3 |
319 parameters |
Experimental. The temperature of the crystal was controlled using the Oxford Cryosystem Cryostream Cooler (Cosier & Glazer, 1986). Due to the fact that the crystals were unstable and did not diffract strongly at high angles, the data were only collected to θmax of 24.1° |
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. |
x | y | z | Uiso*/Ueq | ||
In1 | 0.12291 (4) | 0.15701 (3) | 0.33165 (3) | 0.03694 (15) | |
N1 | 0.1313 (5) | 0.0015 (4) | 0.1834 (3) | 0.0417 (10) | |
N2 | 0.3051 (4) | 0.1979 (4) | 0.2382 (3) | 0.0404 (9) | |
N3 | 0.0604 (5) | 0.3194 (4) | 0.3226 (4) | 0.0417 (9) | |
N4 | −0.1098 (5) | 0.1197 (4) | 0.2709 (4) | 0.0418 (10) | |
C1 | 0.0576 (5) | −0.1319 (5) | 0.1198 (4) | 0.0407 (11) | |
C2 | 0.0503 (6) | −0.2185 (5) | 0.1722 (5) | 0.0517 (13) | |
H2 | 0.0992 | −0.1887 | 0.2472 | 0.062* | |
C3 | −0.0285 (8) | −0.3491 (6) | 0.1153 (6) | 0.0664 (17) | |
H3 | −0.0321 | −0.4074 | 0.1515 | 0.08* | |
C4 | −0.1017 (7) | −0.3935 (6) | 0.0052 (6) | 0.0678 (18) | |
H4 | −0.1557 | −0.4819 | −0.0335 | 0.081* | |
C5 | −0.0950 (7) | −0.3073 (6) | −0.0474 (5) | 0.0625 (16) | |
H5 | −0.1455 | −0.3371 | −0.122 | 0.075* | |
C6 | −0.0140 (6) | −0.1765 (5) | 0.0092 (5) | 0.0516 (13) | |
H6 | −0.0079 | −0.1183 | −0.0277 | 0.062* | |
C7 | 0.2542 (5) | 0.0804 (5) | 0.1657 (4) | 0.0384 (11) | |
C8 | 0.3277 (6) | 0.0363 (5) | 0.0746 (5) | 0.0483 (13) | |
H8A | 0.2862 | 0.0414 | 0.006 | 0.072* | |
H8B | 0.312 | −0.0516 | 0.0627 | 0.072* | |
H8C | 0.4323 | 0.0908 | 0.0962 | 0.072* | |
C9 | 0.4351 (5) | 0.3033 (5) | 0.2430 (4) | 0.0410 (11) | |
C10 | 0.4667 (6) | 0.3394 (5) | 0.1516 (5) | 0.0497 (13) | |
H10 | 0.4046 | 0.289 | 0.0806 | 0.06* | |
C11 | 0.5897 (7) | 0.4498 (6) | 0.1647 (5) | 0.0578 (15) | |
H11 | 0.6119 | 0.4723 | 0.102 | 0.069* | |
C12 | 0.6793 (6) | 0.5264 (5) | 0.2681 (6) | 0.0572 (15) | |
H12 | 0.7606 | 0.6023 | 0.2764 | 0.069* | |
C13 | 0.6495 (6) | 0.4917 (5) | 0.3604 (5) | 0.0526 (14) | |
H13 | 0.711 | 0.5435 | 0.4313 | 0.063* | |
C14 | 0.5287 (6) | 0.3804 (5) | 0.3474 (4) | 0.0438 (12) | |
H14 | 0.5094 | 0.3564 | 0.4098 | 0.053* | |
C15 | −0.2522 (6) | 0.0191 (5) | 0.2433 (4) | 0.0412 (11) | |
C16 | −0.2677 (7) | −0.1050 (5) | 0.1908 (5) | 0.0526 (14) | |
H16 | −0.1861 | −0.1195 | 0.1713 | 0.063* | |
C17 | −0.4043 (8) | −0.2089 (6) | 0.1666 (5) | 0.0630 (16) | |
H17 | −0.4138 | −0.293 | 0.1318 | 0.076* | |
C18 | −0.5247 (7) | −0.1882 (7) | 0.1939 (5) | 0.0670 (18) | |
H18 | −0.6169 | −0.2578 | 0.1755 | 0.08* | |
C19 | −0.5100 (7) | −0.0663 (7) | 0.2478 (6) | 0.0641 (16) | |
H19 | −0.5922 | −0.0525 | 0.2671 | 0.077* | |
C20 | −0.3743 (6) | 0.0372 (6) | 0.2742 (5) | 0.0504 (13) | |
H20 | −0.3647 | 0.1203 | 0.3132 | 0.061* | |
C21 | −0.0809 (6) | 0.2392 (5) | 0.2766 (4) | 0.0428 (12) | |
C22 | −0.1887 (6) | 0.2766 (6) | 0.2218 (5) | 0.0528 (14) | |
H22A | −0.1362 | 0.3427 | 0.1929 | 0.079* | |
H22B | −0.2388 | 0.3089 | 0.2764 | 0.079* | |
H22C | −0.2602 | 0.2021 | 0.161 | 0.079* | |
C23 | 0.1225 (6) | 0.4534 (4) | 0.3489 (4) | 0.0402 (11) | |
C24 | 0.2687 (6) | 0.5140 (5) | 0.3427 (4) | 0.0474 (12) | |
H24 | 0.3199 | 0.464 | 0.3159 | 0.057* | |
C25 | 0.3398 (6) | 0.6456 (5) | 0.3751 (5) | 0.0525 (13) | |
H25 | 0.438 | 0.684 | 0.3696 | 0.063* | |
C26 | 0.2668 (7) | 0.7215 (5) | 0.4157 (5) | 0.0568 (15) | |
H26 | 0.3156 | 0.8113 | 0.4395 | 0.068* | |
C27 | 0.1224 (8) | 0.6636 (6) | 0.4206 (5) | 0.0610 (16) | |
H27 | 0.0718 | 0.7147 | 0.4459 | 0.073* | |
C28 | 0.0485 (7) | 0.5299 (5) | 0.3886 (5) | 0.0503 (13) | |
H28 | −0.0499 | 0.492 | 0.3939 | 0.06* | |
C29 | 0.1903 (7) | 0.1478 (6) | 0.4917 (4) | 0.0538 (14) | |
H29A | 0.2563 | 0.2343 | 0.5426 | 0.065* | |
H29B | 0.1035 | 0.1178 | 0.5228 | 0.065* | |
C30 | 0.2663 (10) | 0.0614 (8) | 0.4864 (6) | 0.087 (2) | |
H30A | 0.1965 | −0.0269 | 0.4475 | 0.13* | |
H30B | 0.3073 | 0.0717 | 0.5616 | 0.13* | |
H30C | 0.3447 | 0.0832 | 0.4468 | 0.13* |
U11 | U22 | U33 | U12 | U13 | U23 | |
In1 | 0.0373 (2) | 0.0339 (2) | 0.0448 (2) | 0.01784 (15) | 0.00913 (15) | 0.01713 (15) |
N1 | 0.041 (2) | 0.041 (2) | 0.044 (2) | 0.018 (2) | 0.0085 (19) | 0.0137 (19) |
N2 | 0.040 (2) | 0.032 (2) | 0.046 (2) | 0.0146 (18) | 0.0126 (19) | 0.0108 (18) |
N3 | 0.042 (2) | 0.035 (2) | 0.055 (2) | 0.0193 (19) | 0.014 (2) | 0.0197 (19) |
N4 | 0.039 (2) | 0.036 (2) | 0.053 (2) | 0.0178 (19) | 0.0094 (19) | 0.0168 (19) |
C1 | 0.036 (3) | 0.040 (3) | 0.047 (3) | 0.019 (2) | 0.011 (2) | 0.013 (2) |
C2 | 0.052 (3) | 0.045 (3) | 0.056 (3) | 0.017 (3) | 0.009 (3) | 0.018 (3) |
C3 | 0.079 (5) | 0.039 (3) | 0.083 (5) | 0.020 (3) | 0.028 (4) | 0.027 (3) |
C4 | 0.057 (4) | 0.039 (3) | 0.079 (5) | 0.004 (3) | 0.020 (3) | 0.001 (3) |
C5 | 0.053 (4) | 0.062 (4) | 0.054 (3) | 0.019 (3) | 0.007 (3) | 0.004 (3) |
C6 | 0.052 (3) | 0.053 (3) | 0.052 (3) | 0.024 (3) | 0.010 (3) | 0.018 (3) |
C7 | 0.035 (3) | 0.043 (3) | 0.045 (3) | 0.022 (2) | 0.003 (2) | 0.021 (2) |
C8 | 0.050 (3) | 0.049 (3) | 0.054 (3) | 0.028 (3) | 0.019 (3) | 0.016 (2) |
C9 | 0.034 (3) | 0.039 (3) | 0.053 (3) | 0.021 (2) | 0.012 (2) | 0.014 (2) |
C10 | 0.053 (3) | 0.050 (3) | 0.048 (3) | 0.022 (3) | 0.009 (2) | 0.020 (2) |
C11 | 0.067 (4) | 0.051 (3) | 0.070 (4) | 0.030 (3) | 0.026 (3) | 0.032 (3) |
C12 | 0.045 (3) | 0.037 (3) | 0.085 (4) | 0.014 (3) | 0.019 (3) | 0.019 (3) |
C13 | 0.042 (3) | 0.046 (3) | 0.063 (3) | 0.021 (3) | 0.006 (3) | 0.008 (3) |
C14 | 0.045 (3) | 0.038 (3) | 0.052 (3) | 0.022 (2) | 0.012 (2) | 0.013 (2) |
C15 | 0.040 (3) | 0.047 (3) | 0.044 (3) | 0.023 (2) | 0.008 (2) | 0.019 (2) |
C16 | 0.052 (3) | 0.049 (3) | 0.063 (3) | 0.022 (3) | 0.020 (3) | 0.025 (3) |
C17 | 0.074 (4) | 0.044 (3) | 0.065 (4) | 0.017 (3) | 0.015 (3) | 0.021 (3) |
C18 | 0.048 (4) | 0.068 (4) | 0.072 (4) | 0.003 (3) | 0.001 (3) | 0.037 (3) |
C19 | 0.045 (3) | 0.084 (5) | 0.075 (4) | 0.029 (3) | 0.017 (3) | 0.041 (4) |
C20 | 0.048 (3) | 0.055 (3) | 0.057 (3) | 0.026 (3) | 0.016 (3) | 0.026 (3) |
C21 | 0.044 (3) | 0.051 (3) | 0.050 (3) | 0.031 (3) | 0.017 (2) | 0.022 (2) |
C22 | 0.049 (3) | 0.061 (3) | 0.063 (3) | 0.033 (3) | 0.009 (3) | 0.029 (3) |
C23 | 0.048 (3) | 0.036 (3) | 0.045 (3) | 0.022 (2) | 0.011 (2) | 0.020 (2) |
C24 | 0.044 (3) | 0.047 (3) | 0.055 (3) | 0.023 (2) | 0.009 (2) | 0.019 (2) |
C25 | 0.045 (3) | 0.047 (3) | 0.060 (3) | 0.013 (3) | 0.006 (3) | 0.022 (3) |
C26 | 0.064 (4) | 0.043 (3) | 0.063 (4) | 0.021 (3) | 0.004 (3) | 0.021 (3) |
C27 | 0.080 (5) | 0.054 (3) | 0.064 (4) | 0.044 (3) | 0.017 (3) | 0.019 (3) |
C28 | 0.054 (3) | 0.054 (3) | 0.056 (3) | 0.031 (3) | 0.020 (3) | 0.025 (3) |
C29 | 0.067 (4) | 0.059 (3) | 0.038 (3) | 0.029 (3) | 0.009 (3) | 0.018 (3) |
C30 | 0.128 (7) | 0.093 (5) | 0.062 (4) | 0.074 (5) | 0.002 (4) | 0.029 (4) |
In1—C29 | 2.157 (5) | C13—C14 | 1.383 (8) |
In1—N4 | 2.234 (4) | C13—H13 | 0.94 |
In1—N2 | 2.255 (4) | C14—H14 | 0.94 |
In1—N1 | 2.274 (4) | C15—C16 | 1.385 (8) |
In1—N3 | 2.292 (4) | C15—C20 | 1.393 (7) |
N1—C7 | 1.333 (6) | C16—C17 | 1.401 (9) |
N1—C1 | 1.424 (6) | C16—H16 | 0.94 |
N2—C7 | 1.315 (6) | C17—C18 | 1.377 (9) |
N2—C9 | 1.422 (6) | C17—H17 | 0.94 |
N3—C21 | 1.341 (7) | C18—C19 | 1.368 (10) |
N3—C23 | 1.411 (6) | C18—H18 | 0.94 |
N4—C21 | 1.331 (6) | C19—C20 | 1.390 (8) |
N4—C15 | 1.417 (7) | C19—H19 | 0.94 |
C1—C2 | 1.380 (7) | C20—H20 | 0.94 |
C1—C6 | 1.384 (8) | C21—C22 | 1.515 (7) |
C2—C3 | 1.387 (8) | C22—H22A | 0.97 |
C2—H2 | 0.94 | C22—H22B | 0.97 |
C3—C4 | 1.383 (10) | C22—H22C | 0.97 |
C3—H3 | 0.94 | C23—C24 | 1.397 (7) |
C4—C5 | 1.379 (10) | C23—C28 | 1.399 (7) |
C4—H4 | 0.94 | C24—C25 | 1.379 (8) |
C5—C6 | 1.390 (8) | C24—H24 | 0.94 |
C5—H5 | 0.94 | C25—C26 | 1.388 (8) |
C6—H6 | 0.94 | C25—H25 | 0.94 |
C7—C8 | 1.507 (7) | C26—C27 | 1.373 (9) |
C8—H8A | 0.97 | C26—H26 | 0.94 |
C8—H8B | 0.97 | C27—C28 | 1.404 (8) |
C8—H8C | 0.97 | C27—H27 | 0.94 |
C9—C10 | 1.388 (7) | C28—H28 | 0.94 |
C9—C14 | 1.395 (7) | C29—C30 | 1.492 (9) |
C10—C11 | 1.388 (8) | C29—H29A | 0.98 |
C10—H10 | 0.94 | C29—H29B | 0.98 |
C11—C12 | 1.371 (9) | C30—H30A | 0.97 |
C11—H11 | 0.94 | C30—H30B | 0.97 |
C12—C13 | 1.388 (9) | C30—H30C | 0.97 |
C12—H12 | 0.94 | ||
C29—In1—N4 | 120.3 (2) | C14—C13—H13 | 120.2 |
C29—In1—N2 | 113.2 (2) | C12—C13—H13 | 120.2 |
N4—In1—N2 | 126.51 (16) | C13—C14—C9 | 120.9 (5) |
C29—In1—N1 | 114.18 (19) | C13—C14—H14 | 119.5 |
N4—In1—N1 | 96.12 (16) | C9—C14—H14 | 119.5 |
N2—In1—N1 | 58.22 (15) | C16—C15—C20 | 118.3 (5) |
C29—In1—N3 | 119.96 (19) | C16—C15—N4 | 117.8 (5) |
N4—In1—N3 | 58.75 (15) | C20—C15—N4 | 123.6 (5) |
N2—In1—N3 | 96.83 (15) | C15—C16—C17 | 120.4 (6) |
N1—In1—N3 | 125.80 (15) | C15—C16—H16 | 119.8 |
C7—N1—C1 | 123.8 (4) | C17—C16—H16 | 119.8 |
C7—N1—In1 | 93.9 (3) | C18—C17—C16 | 120.1 (6) |
C1—N1—In1 | 142.3 (3) | C18—C17—H17 | 120 |
C7—N2—C9 | 126.3 (4) | C16—C17—H17 | 120 |
C7—N2—In1 | 95.3 (3) | C19—C18—C17 | 120.0 (6) |
C9—N2—In1 | 138.4 (3) | C19—C18—H18 | 120 |
C21—N3—C23 | 126.0 (4) | C17—C18—H18 | 120 |
C21—N3—In1 | 92.8 (3) | C18—C19—C20 | 120.3 (6) |
C23—N3—In1 | 141.1 (3) | C18—C19—H19 | 119.9 |
C21—N4—C15 | 125.1 (4) | C20—C19—H19 | 119.9 |
C21—N4—In1 | 95.7 (3) | C19—C20—C15 | 120.8 (6) |
C15—N4—In1 | 138.9 (3) | C19—C20—H20 | 119.6 |
C2—C1—C6 | 119.4 (5) | C15—C20—H20 | 119.6 |
C2—C1—N1 | 118.7 (5) | N4—C21—N3 | 112.4 (4) |
C6—C1—N1 | 121.8 (5) | N4—C21—C22 | 123.8 (5) |
C1—C2—C3 | 120.6 (6) | N3—C21—C22 | 123.2 (5) |
C1—C2—H2 | 119.7 | C21—C22—H22A | 109.5 |
C3—C2—H2 | 119.7 | C21—C22—H22B | 109.5 |
C4—C3—C2 | 120.0 (6) | H22A—C22—H22B | 109.5 |
C4—C3—H3 | 120 | C21—C22—H22C | 109.5 |
C2—C3—H3 | 120 | H22A—C22—H22C | 109.5 |
C5—C4—C3 | 119.6 (6) | H22B—C22—H22C | 109.5 |
C5—C4—H4 | 120.2 | C24—C23—C28 | 118.2 (5) |
C3—C4—H4 | 120.2 | C24—C23—N3 | 118.4 (4) |
C4—C5—C6 | 120.4 (6) | C28—C23—N3 | 123.2 (5) |
C4—C5—H5 | 119.8 | C25—C24—C23 | 121.5 (5) |
C6—C5—H5 | 119.8 | C25—C24—H24 | 119.2 |
C1—C6—C5 | 120.0 (6) | C23—C24—H24 | 119.2 |
C1—C6—H6 | 120 | C24—C25—C26 | 120.2 (6) |
C5—C6—H6 | 120 | C24—C25—H25 | 119.9 |
N2—C7—N1 | 112.6 (4) | C26—C25—H25 | 119.9 |
N2—C7—C8 | 124.6 (5) | C27—C26—C25 | 119.1 (5) |
N1—C7—C8 | 122.8 (5) | C27—C26—H26 | 120.5 |
C7—C8—H8A | 109.5 | C25—C26—H26 | 120.5 |
C7—C8—H8B | 109.5 | C26—C27—C28 | 121.5 (6) |
H8A—C8—H8B | 109.5 | C26—C27—H27 | 119.3 |
C7—C8—H8C | 109.5 | C28—C27—H27 | 119.3 |
H8A—C8—H8C | 109.5 | C23—C28—C27 | 119.5 (5) |
H8B—C8—H8C | 109.5 | C23—C28—H28 | 120.3 |
C10—C9—C14 | 118.7 (5) | C27—C28—H28 | 120.3 |
C10—C9—N2 | 123.4 (5) | C30—C29—In1 | 113.6 (4) |
C14—C9—N2 | 117.7 (5) | C30—C29—H29A | 108.9 |
C11—C10—C9 | 120.1 (5) | In1—C29—H29A | 108.9 |
C11—C10—H10 | 119.9 | C30—C29—H29B | 108.9 |
C9—C10—H10 | 119.9 | In1—C29—H29B | 108.9 |
C12—C11—C10 | 120.8 (6) | H29A—C29—H29B | 107.7 |
C12—C11—H11 | 119.6 | C29—C30—H30A | 109.5 |
C10—C11—H11 | 119.6 | C29—C30—H30B | 109.5 |
C11—C12—C13 | 119.9 (5) | H30A—C30—H30B | 109.5 |
C11—C12—H12 | 120.1 | C29—C30—H30C | 109.5 |
C13—C12—H12 | 120.1 | H30A—C30—H30C | 109.5 |
C14—C13—C12 | 119.6 (5) | H30B—C30—H30C | 109.5 |
C29—In1—N1—C7 | −103.9 (3) | C1—N1—C7—C8 | 0.7 (7) |
N4—In1—N1—C7 | 129.0 (3) | In1—N1—C7—C8 | 178.9 (4) |
N2—In1—N1—C7 | −0.6 (3) | C7—N2—C9—C10 | 51.3 (7) |
N3—In1—N1—C7 | 73.5 (3) | In1—N2—C9—C10 | −129.2 (5) |
C29—In1—N1—C1 | 73.6 (6) | C7—N2—C9—C14 | −134.6 (5) |
N4—In1—N1—C1 | −53.5 (5) | In1—N2—C9—C14 | 45.0 (7) |
N2—In1—N1—C1 | 176.9 (6) | C14—C9—C10—C11 | 0.4 (8) |
N3—In1—N1—C1 | −109.1 (5) | N2—C9—C10—C11 | 174.5 (5) |
C29—In1—N2—C7 | 105.6 (3) | C9—C10—C11—C12 | −1.9 (9) |
N4—In1—N2—C7 | −71.8 (3) | C10—C11—C12—C13 | 1.9 (9) |
N1—In1—N2—C7 | 0.6 (3) | C11—C12—C13—C14 | −0.6 (8) |
N3—In1—N2—C7 | −127.6 (3) | C12—C13—C14—C9 | −0.8 (8) |
C29—In1—N2—C9 | −74.0 (5) | C10—C9—C14—C13 | 0.9 (7) |
N4—In1—N2—C9 | 108.6 (5) | N2—C9—C14—C13 | −173.6 (4) |
N1—In1—N2—C9 | −179.0 (6) | C21—N4—C15—C16 | 150.4 (5) |
N3—In1—N2—C9 | 52.7 (5) | In1—N4—C15—C16 | −37.3 (7) |
C29—In1—N3—C21 | −112.9 (3) | C21—N4—C15—C20 | −35.1 (8) |
N4—In1—N3—C21 | −3.5 (3) | In1—N4—C15—C20 | 137.3 (5) |
N2—In1—N3—C21 | 125.4 (3) | C20—C15—C16—C17 | 1.9 (8) |
N1—In1—N3—C21 | 70.0 (3) | N4—C15—C16—C17 | 176.7 (5) |
C29—In1—N3—C23 | 66.9 (6) | C15—C16—C17—C18 | 0.7 (9) |
N4—In1—N3—C23 | 176.2 (6) | C16—C17—C18—C19 | −2.0 (10) |
N2—In1—N3—C23 | −54.8 (5) | C17—C18—C19—C20 | 0.7 (10) |
N1—In1—N3—C23 | −110.3 (5) | C18—C19—C20—C15 | 2.0 (9) |
C29—In1—N4—C21 | 112.4 (3) | C16—C15—C20—C19 | −3.2 (8) |
N2—In1—N4—C21 | −70.4 (3) | N4—C15—C20—C19 | −177.8 (5) |
N1—In1—N4—C21 | −125.0 (3) | C15—N4—C21—N3 | 169.3 (4) |
N3—In1—N4—C21 | 3.6 (3) | In1—N4—C21—N3 | −5.7 (5) |
C29—In1—N4—C15 | −61.4 (5) | C15—N4—C21—C22 | −19.4 (8) |
N2—In1—N4—C15 | 115.9 (5) | In1—N4—C21—C22 | 165.6 (4) |
N1—In1—N4—C15 | 61.3 (5) | C23—N3—C21—N4 | −174.3 (4) |
N3—In1—N4—C15 | −170.1 (6) | In1—N3—C21—N4 | 5.5 (4) |
C7—N1—C1—C2 | 114.7 (6) | C23—N3—C21—C22 | 14.3 (8) |
In1—N1—C1—C2 | −62.2 (7) | In1—N3—C21—C22 | −165.9 (5) |
C7—N1—C1—C6 | −69.2 (7) | C21—N3—C23—C24 | −148.5 (5) |
In1—N1—C1—C6 | 113.8 (6) | In1—N3—C23—C24 | 31.8 (8) |
C6—C1—C2—C3 | −0.3 (9) | C21—N3—C23—C28 | 36.4 (8) |
N1—C1—C2—C3 | 175.8 (5) | In1—N3—C23—C28 | −143.4 (5) |
C1—C2—C3—C4 | −0.6 (10) | C28—C23—C24—C25 | 0.3 (8) |
C2—C3—C4—C5 | 0.4 (10) | N3—C23—C24—C25 | −175.1 (5) |
C3—C4—C5—C6 | 0.6 (10) | C23—C24—C25—C26 | 0.5 (9) |
C2—C1—C6—C5 | 1.4 (8) | C24—C25—C26—C27 | −1.5 (9) |
N1—C1—C6—C5 | −174.6 (5) | C25—C26—C27—C28 | 1.9 (9) |
C4—C5—C6—C1 | −1.6 (9) | C24—C23—C28—C27 | 0.1 (8) |
C9—N2—C7—N1 | 178.7 (4) | N3—C23—C28—C27 | 175.3 (5) |
In1—N2—C7—N1 | −1.0 (4) | C26—C27—C28—C23 | −1.2 (9) |
C9—N2—C7—C8 | 0.9 (8) | N4—In1—C29—C30 | 127.0 (5) |
In1—N2—C7—C8 | −178.8 (4) | N2—In1—C29—C30 | −50.6 (6) |
C1—N1—C7—N2 | −177.2 (4) | N1—In1—C29—C30 | 13.6 (6) |
In1—N1—C7—N2 | 1.0 (4) | N3—In1—C29—C30 | −163.9 (5) |