metal-organic compounds
The octahedral tris(salicylato)titanate entity in polymeric {[Cu(C3H7NO)2]1/2[Cu(H2O)2]1/2[Ti(C7H4O3)3]}n links adjacent bis(N,N-dimethylformamide)copper and diaquacopper units through the carboxylate O atoms to form a chain motif. Hydrogen bonds within the chain further consolidate the structure. The two independent Cu atoms lie on different sites of symmetry.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806033447/bt2174sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806033447/bt2174Isup2.hkl |
CCDC reference: 620702
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.009 Å
- R factor = 0.089
- wR factor = 0.191
- Data-to-parameter ratio = 13.8
checkCIF/PLATON results
No syntax errors found
Alert level C CRYSC01_ALERT_1_C The word below has not been recognised as a standard identifier. Yellowish PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT213_ALERT_2_C Atom O3 has ADP max/min Ratio ............. 3.40 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.72 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cu1 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2 PLAT753_ALERT_4_C Torsion Calc -175.91, Rep -176.1(5) ...... Senseless su C18 -C19 -C20 -C21 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Computing details top
Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: SHELXL97.
catena-Poly{hemi[diaquacopper(II)]hemi[bis(N,N-dimethylformide-κO)copper(II)][tris(salicylato-κ2O,O')titanate(IV)]} top
Crystal data top
[Cu(C3H7NO)2]1/2[Cu(H2O)2]1/2[Ti(C7H4O3)3] | Z = 2 |
Mr = 610.86 | F(000) = 622 |
Triclinic, P1 | Dx = 1.651 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.629 (1) Å | Cell parameters from 1021 reflections |
b = 9.915 (1) Å | θ = 2.5–20.2° |
c = 14.558 (2) Å | µ = 1.25 mm−1 |
α = 70.783 (2)° | T = 295 K |
β = 85.346 (2)° | Block, yellow–green |
γ = 69.579 (2)° | 0.16 × 0.08 × 0.07 mm |
V = 1229.1 (2) Å3 |
Data collection top
Bruker APEX area-detector diffractometer | 4291 independent reflections |
Radiation source: fine-focus sealed tube | 2943 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.056 |
φ and ω scans | θmax = 25.0°, θmin = 1.5° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→11 |
Tmin = 0.825, Tmax = 0.917 | k = −11→11 |
8739 measured reflections | l = −17→17 |
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)] = 0.089 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.191 | H-atom parameters constrained |
S = 1.13 | w = 1/[σ2(Fo2) + (0.0665P)2 + 1.6052P] where P = (Fo2 + 2Fc2)/3 |
4291 reflections | (Δ/σ)max = 0.001 |
310 parameters | Δρmax = 0.52 e Å−3 |
0 restraints | Δρmin = −0.40 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Ti1 | 0.2933 (1) | 0.6136 (2) | 0.7580 (1) | 0.0309 (4) | |
Cu1 | 0.5000 | 1.0000 | 0.5000 | 0.0381 (4) | |
Cu2 | 0.5000 | 0.5000 | 0.5000 | 0.0409 (4) | |
O1 | 0.4655 (5) | 0.5191 (6) | 0.8374 (3) | 0.039 (1) | |
O2 | 0.4069 (5) | 0.7520 (6) | 0.6785 (3) | 0.040 (1) | |
O3 | 0.5811 (6) | 0.8543 (6) | 0.6250 (3) | 0.044 (2) | |
O4 | 0.2255 (5) | 0.4530 (6) | 0.8172 (3) | 0.034 (1) | |
O5 | 0.3778 (5) | 0.5023 (6) | 0.6593 (3) | 0.035 (1) | |
O6 | 0.4854 (6) | 0.3149 (6) | 0.6026 (4) | 0.044 (1) | |
O7 | 0.1887 (5) | 0.7453 (5) | 0.8254 (3) | 0.036 (1) | |
O8 | 0.1373 (5) | 0.7407 (6) | 0.6535 (3) | 0.036 (1) | |
O9 | −0.0759 (6) | 0.8863 (7) | 0.5786 (4) | 0.057 (2) | |
O10 | 0.6861 (6) | 0.4745 (7) | 0.5588 (4) | 0.048 (2) | |
O1w | 0.3261 (6) | 0.9473 (7) | 0.5067 (4) | 0.077 (2) | |
N1 | 0.9322 (7) | 0.3793 (8) | 0.5947 (5) | 0.043 (2) | |
C1 | 0.5863 (4) | 0.5507 (5) | 0.8473 (3) | 0.027 (2) | |
C2 | 0.6763 (5) | 0.4623 (5) | 0.9306 (3) | 0.041 (2) | |
C3 | 0.8042 (5) | 0.4892 (6) | 0.9445 (3) | 0.051 (2) | |
C4 | 0.8420 (5) | 0.6045 (6) | 0.8750 (3) | 0.049 (2) | |
C5 | 0.7519 (5) | 0.6929 (5) | 0.7917 (3) | 0.034 (2) | |
C6 | 0.6241 (4) | 0.6660 (5) | 0.7778 (3) | 0.025 (2) | |
C7 | 0.5324 (8) | 0.7641 (8) | 0.6891 (5) | 0.027 (2) | |
C8 | 0.2935 (6) | 0.3042 (5) | 0.8291 (4) | 0.039 (2) | |
C9 | 0.2691 (6) | 0.2010 (6) | 0.9144 (3) | 0.048 (2) | |
C10 | 0.3357 (7) | 0.0458 (6) | 0.9307 (3) | 0.060 (3) | |
C11 | 0.4269 (7) | −0.0062 (5) | 0.8615 (4) | 0.066 (3) | |
C12 | 0.4514 (6) | 0.0971 (6) | 0.7761 (4) | 0.050 (2) | |
C13 | 0.3847 (6) | 0.2523 (6) | 0.7599 (3) | 0.036 (2) | |
C14 | 0.4175 (8) | 0.3636 (10) | 0.6687 (5) | 0.036 (2) | |
C15 | 0.0683 (4) | 0.8727 (5) | 0.8046 (3) | 0.035 (2) | |
C16 | 0.0354 (6) | 0.9513 (6) | 0.8715 (3) | 0.051 (2) | |
C17 | −0.0904 (6) | 1.0805 (6) | 0.8566 (3) | 0.057 (3) | |
C18 | −0.1832 (5) | 1.1311 (5) | 0.7749 (4) | 0.058 (3) | |
C19 | −0.1502 (4) | 1.0525 (5) | 0.7080 (3) | 0.046 (2) | |
C20 | −0.0245 (4) | 0.9233 (4) | 0.7229 (2) | 0.032 (2) | |
C21 | 0.0119 (6) | 0.8493 (6) | 0.6467 (3) | 0.032 (2) | |
C22 | 0.8148 (9) | 0.389 (1) | 0.5512 (5) | 0.044 (2) | |
C23 | 0.921 (1) | 0.469 (1) | 0.6588 (7) | 0.067 (3) | |
C24 | 1.077 (1) | 0.266 (1) | 0.5928 (7) | 0.062 (3) | |
H1w1 | 0.2518 | 1.0274 | 0.4835 | 0.115* | |
H1w2 | 0.3119 | 0.9032 | 0.5657 | 0.115* | |
H2 | 0.6510 | 0.3852 | 0.9771 | 0.049* | |
H3 | 0.8645 | 0.4300 | 1.0002 | 0.061* | |
H4 | 0.9276 | 0.6224 | 0.8842 | 0.059* | |
H5 | 0.7772 | 0.7700 | 0.7452 | 0.041* | |
H9 | 0.2081 | 0.2357 | 0.9607 | 0.057* | |
H10 | 0.3194 | −0.0233 | 0.9878 | 0.072* | |
H11 | 0.4715 | −0.1100 | 0.8724 | 0.079* | |
H12 | 0.5124 | 0.0623 | 0.7299 | 0.060* | |
H16 | 0.0975 | 0.9174 | 0.9261 | 0.061* | |
H17 | −0.1124 | 1.1331 | 0.9013 | 0.069* | |
H18 | −0.2673 | 1.2176 | 0.7650 | 0.070* | |
H19 | −0.2123 | 1.0864 | 0.6534 | 0.055* | |
H22 | 0.8269 | 0.3283 | 0.5120 | 0.053* | |
H23a | 0.8299 | 0.5539 | 0.6438 | 0.101* | |
H23b | 1.0032 | 0.5050 | 0.6494 | 0.101* | |
H23c | 0.9225 | 0.4066 | 0.7253 | 0.101* | |
H24a | 1.0721 | 0.2150 | 0.5481 | 0.092* | |
H24b | 1.1044 | 0.1936 | 0.6568 | 0.092* | |
H24c | 1.1492 | 0.3155 | 0.5723 | 0.092* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ti1 | 0.0251 (7) | 0.0351 (8) | 0.0270 (7) | −0.0118 (6) | −0.0053 (6) | 0.0002 (6) |
Cu1 | 0.0260 (7) | 0.0436 (9) | 0.0287 (7) | −0.0129 (6) | −0.0085 (6) | 0.0119 (6) |
Cu2 | 0.0339 (8) | 0.059 (1) | 0.0259 (7) | −0.0143 (7) | 0.0014 (6) | −0.0099 (7) |
O1 | 0.033 (3) | 0.043 (3) | 0.033 (3) | −0.017 (3) | −0.011 (2) | 0.005 (2) |
O2 | 0.034 (3) | 0.040 (3) | 0.030 (3) | −0.022 (3) | −0.012 (2) | 0.021 (2) |
O3 | 0.042 (3) | 0.048 (3) | 0.028 (3) | −0.029 (3) | −0.012 (2) | 0.024 (2) |
O4 | 0.028 (3) | 0.039 (3) | 0.035 (3) | −0.016 (2) | 0.007 (2) | −0.007 (2) |
O5 | 0.035 (3) | 0.034 (3) | 0.031 (3) | −0.009 (3) | 0.004 (2) | −0.007 (2) |
O6 | 0.045 (3) | 0.047 (4) | 0.036 (3) | −0.013 (3) | 0.005 (3) | −0.013 (3) |
O7 | 0.041 (3) | 0.033 (3) | 0.026 (3) | −0.009 (3) | −0.013 (2) | 0.001 (2) |
O8 | 0.026 (3) | 0.043 (3) | 0.028 (3) | −0.003 (2) | −0.012 (2) | −0.004 (2) |
O9 | 0.041 (4) | 0.078 (5) | 0.045 (4) | −0.002 (3) | −0.021 (3) | −0.024 (3) |
O10 | 0.039 (4) | 0.061 (4) | 0.038 (3) | −0.016 (3) | −0.008 (3) | −0.009 (3) |
O1w | 0.040 (4) | 0.092 (5) | 0.062 (4) | −0.040 (4) | −0.024 (3) | 0.048 (4) |
N1 | 0.041 (4) | 0.049 (4) | 0.038 (4) | −0.013 (3) | −0.006 (3) | −0.015 (3) |
C1 | 0.022 (4) | 0.039 (4) | 0.018 (3) | −0.009 (3) | −0.004 (3) | −0.008 (3) |
C2 | 0.041 (5) | 0.056 (6) | 0.016 (4) | −0.020 (4) | −0.006 (3) | 0.005 (4) |
C3 | 0.052 (6) | 0.069 (6) | 0.021 (4) | −0.018 (5) | −0.017 (4) | 0.000 (4) |
C4 | 0.039 (5) | 0.073 (6) | 0.034 (5) | −0.028 (5) | −0.016 (4) | −0.004 (4) |
C5 | 0.044 (5) | 0.034 (5) | 0.024 (4) | −0.021 (4) | −0.012 (3) | 0.003 (3) |
C6 | 0.028 (4) | 0.016 (4) | 0.026 (4) | −0.001 (3) | −0.003 (3) | −0.005 (3) |
C7 | 0.030 (4) | 0.026 (4) | 0.020 (4) | −0.009 (3) | −0.003 (3) | −0.002 (3) |
C8 | 0.039 (5) | 0.048 (6) | 0.038 (5) | −0.023 (4) | −0.002 (4) | −0.013 (4) |
C9 | 0.056 (6) | 0.058 (6) | 0.034 (5) | −0.029 (5) | 0.017 (4) | −0.013 (4) |
C10 | 0.081 (7) | 0.044 (6) | 0.048 (6) | −0.028 (5) | 0.005 (5) | 0.000 (5) |
C11 | 0.084 (8) | 0.050 (6) | 0.062 (7) | −0.027 (6) | 0.007 (6) | −0.011 (5) |
C12 | 0.052 (6) | 0.061 (6) | 0.048 (5) | −0.025 (5) | 0.016 (4) | −0.029 (5) |
C13 | 0.032 (4) | 0.042 (5) | 0.033 (4) | −0.011 (4) | −0.007 (4) | −0.011 (4) |
C14 | 0.024 (4) | 0.052 (6) | 0.029 (4) | −0.008 (4) | −0.008 (3) | −0.015 (4) |
C15 | 0.047 (5) | 0.033 (5) | 0.024 (4) | −0.017 (4) | −0.002 (4) | −0.006 (3) |
C16 | 0.071 (6) | 0.039 (5) | 0.033 (5) | −0.012 (5) | −0.009 (4) | −0.003 (4) |
C17 | 0.069 (7) | 0.057 (6) | 0.044 (6) | −0.019 (5) | 0.013 (5) | −0.019 (5) |
C18 | 0.051 (6) | 0.051 (6) | 0.063 (6) | −0.006 (5) | 0.000 (5) | −0.019 (5) |
C19 | 0.038 (5) | 0.040 (5) | 0.056 (6) | −0.011 (4) | −0.002 (4) | −0.014 (4) |
C20 | 0.032 (4) | 0.032 (4) | 0.032 (4) | −0.016 (4) | −0.003 (3) | −0.003 (3) |
C21 | 0.029 (4) | 0.033 (5) | 0.031 (4) | −0.013 (4) | −0.010 (3) | 0.000 (3) |
C22 | 0.042 (5) | 0.062 (6) | 0.028 (4) | −0.026 (5) | 0.004 (4) | −0.007 (4) |
C23 | 0.058 (6) | 0.091 (8) | 0.066 (7) | −0.021 (6) | −0.011 (5) | −0.043 (6) |
C24 | 0.047 (6) | 0.070 (7) | 0.075 (7) | −0.022 (5) | 0.008 (5) | −0.033 (6) |
Geometric parameters (Å, º) top
Ti1—O1 | 1.865 (5) | C8—C13 | 1.3900 |
Ti1—O2 | 2.054 (5) | C9—C10 | 1.3900 |
Ti1—O4 | 1.853 (5) | C10—C11 | 1.3900 |
Ti1—O5 | 2.043 (5) | C12—C13 | 1.3900 |
Ti1—O7 | 1.857 (5) | C11—C12 | 1.3900 |
Ti1—O8 | 1.986 (5) | C13—C14 | 1.513 (9) |
Cu1—O3 | 1.929 (4) | C15—C16 | 1.3900 |
Cu1—O3i | 1.929 (4) | C15—C20 | 1.3900 |
Cu1—O1w | 1.907 (5) | C16—C17 | 1.3900 |
Cu1—O1wi | 1.907 (5) | C17—C18 | 1.3900 |
Cu2—O6 | 1.990 (5) | C18—C19 | 1.3900 |
Cu2—O6ii | 1.990 (5) | C19—C20 | 1.3900 |
Cu2—O10 | 1.949 (5) | C20—C21 | 1.4783 |
Cu2—O10ii | 1.949 (5) | O1w—H1w1 | 0.85 |
O1—C1 | 1.335 (5) | O1w—H1w2 | 0.85 |
O2—C7 | 1.282 (8) | C2—H2 | 0.93 |
O3—C7 | 1.250 (8) | C3—H3 | 0.93 |
O4—C8 | 1.346 (6) | C4—H4 | 0.93 |
O5—C14 | 1.254 (9) | C5—H5 | 0.93 |
O6—C14 | 1.253 (9) | C9—H9 | 0.93 |
O7—C15 | 1.347 (6) | C10—H10 | 0.93 |
O8—C21 | 1.292 (7) | C11—H11 | 0.93 |
O9—C21 | 1.229 (7) | C12—H12 | 0.93 |
O10—C22 | 1.255 (9) | C16—H16 | 0.93 |
N1—C22 | 1.300 (9) | C17—H17 | 0.93 |
N1—C24 | 1.46 (1) | C18—H18 | 0.93 |
N1—C23 | 1.46 (1) | C19—H19 | 0.93 |
C1—C2 | 1.3900 | C22—H22 | 0.93 |
C1—C6 | 1.3900 | C23—H23a | 0.96 |
C2—C3 | 1.3900 | C23—H23b | 0.96 |
C3—C4 | 1.3900 | C23—H23c | 0.96 |
C4—C5 | 1.3900 | C24—H24a | 0.96 |
C5—C6 | 1.3900 | C24—H24b | 0.96 |
C6—C7 | 1.467 (7) | C24—H24c | 0.96 |
C8—C9 | 1.3900 | ||
O1—Ti1—O2 | 83.2 (2) | O6—C14—O5 | 120.4 (7) |
O1—Ti1—O4 | 92.0 (2) | O6—C14—C13 | 118.9 (7) |
O1—Ti1—O5 | 94.2 (2) | O5—C14—C13 | 120.8 (7) |
O1—Ti1—O7 | 97.4 (2) | O7—C15—C16 | 116.8 (3) |
O1—Ti1—O8 | 166.8 (2) | O7—C15—C20 | 123.1 (3) |
O2—Ti1—O4 | 165.4 (2) | C16—C15—C20 | 120.0 |
O2—Ti1—O5 | 82.1 (2) | C17—C16—C15 | 120.0 |
O2—Ti1—O7 | 94.5 (2) | C16—C17—C18 | 120.0 |
O2—Ti1—O8 | 83.7 (2) | C19—C18—C17 | 120.0 |
O4—Ti1—O5 | 84.5 (2) | C20—C19—C18 | 120.0 |
O4—Ti1—O7 | 99.7 (2) | C19—C20—C15 | 120.0 |
O4—Ti1—O8 | 100.3 (2) | C19—C20—C21 | 118.2 |
O5—Ti1—O7 | 167.5 (2) | C15—C20—C21 | 121.7 |
O5—Ti1—O8 | 82.3 (2) | O9—C21—O8 | 119.6 (4) |
O7—Ti1—O8 | 85.4 (2) | O9—C21—C20 | 121.5 (4) |
O3—Cu1—O3i | 180 | O8—C21—C20 | 118.9 (3) |
O3—Cu1—O1w | 94.3 (2) | O10—C22—N1 | 124.1 (8) |
O3—Cu1—O1wi | 85.7 (2) | Cu1—O1w—H1w1 | 109.5 |
O1w—Cu1—O1wi | 180 | Cu1—O1w—H1w2 | 109.5 |
O6—Cu2—O6ii | 180 | H1w1—O1w—H1w2 | 109.5 |
O6—Cu2—O10 | 91.2 (2) | C3—C2—H2 | 120.0 |
O6—Cu2—O10ii | 88.8 (2) | C1—C2—H2 | 120.0 |
O10—Cu2—O10ii | 180 | C2—C3—H3 | 120.0 |
C1—O1—Ti1 | 136.5 (4) | C4—C3—H3 | 120.0 |
C7—O2—Ti1 | 134.8 (4) | C5—C4—H4 | 120.0 |
C7—O3—Cu1 | 132.5 (5) | C3—C4—H4 | 120.0 |
C8—O4—Ti1 | 129.0 (4) | C6—C5—H5 | 120.0 |
C14—O5—Ti1 | 130.3 (5) | C4—C5—H5 | 120.0 |
C14—O6—Cu2 | 104.0 (5) | C8—C9—H9 | 120.0 |
C15—O7—Ti1 | 134.7 (4) | C10—C9—H9 | 120.0 |
C21—O8—Ti1 | 134.8 (4) | C11—C10—H10 | 120.0 |
C22—O10—Cu2 | 129.0 (6) | C9—C10—H10 | 120.0 |
C22—N1—C24 | 122.3 (7) | C10—C11—H11 | 120.0 |
C22—N1—C23 | 120.9 (7) | C12—C11—H11 | 120.0 |
C24—N1—C23 | 116.4 (7) | C13—C12—H12 | 120.0 |
O1—C1—C2 | 117.5 (3) | C11—C12—H12 | 120.0 |
O1—C1—C6 | 122.5 (3) | C17—C16—H16 | 120.0 |
C2—C1—C6 | 120.0 | C15—C16—H16 | 120.0 |
C3—C2—C1 | 120.0 | C16—C17—H17 | 120.0 |
C2—C3—C4 | 120.0 | C18—C17—H17 | 120.0 |
C5—C4—C3 | 120.0 | C19—C18—H18 | 120.0 |
C6—C5—C4 | 120.0 | C17—C18—H18 | 120.0 |
C5—C6—C1 | 120.0 | C20—C19—H19 | 120.0 |
C5—C6—C7 | 117.6 (4) | C18—C19—H19 | 120.0 |
C1—C6—C7 | 122.4 (4) | O10—C22—H22 | 118.0 |
O3—C7—O2 | 122.0 (6) | N1—C22—H22 | 118.0 |
O3—C7—C6 | 118.8 (6) | N1—C23—H23a | 109.5 |
O2—C7—C6 | 119.2 (5) | N1—C23—H23b | 109.5 |
O4—C8—C9 | 117.3 (4) | H23a—C23—H23b | 109.5 |
O4—C8—C13 | 122.7 (4) | N1—C23—H23c | 109.5 |
C9—C8—C13 | 120.0 | H23a—C23—H23c | 109.5 |
C8—C9—C10 | 120.0 | H23b—C23—H23c | 109.5 |
C11—C10—C9 | 120.0 | N1—C24—H24a | 109.5 |
C10—C11—C12 | 120.0 | N1—C24—H24b | 109.5 |
C13—C12—C11 | 120.0 | H24a—C24—H24b | 109.5 |
C12—C13—C8 | 120.0 | N1—C24—H24c | 109.5 |
C12—C13—C14 | 119.5 (5) | H24a—C24—H24c | 109.5 |
C8—C13—C14 | 120.4 (5) | H24b—C24—H24c | 109.5 |
O4—Ti1—O1—C1 | 179.3 (6) | O1—C1—C6—C7 | 1.4 (6) |
O7—Ti1—O1—C1 | −80.7 (6) | C2—C1—C6—C7 | −179.2 (5) |
O8—Ti1—O1—C1 | 20.6 (14) | Cu1—O3—C7—O2 | 2 (1) |
O5—Ti1—O1—C1 | 94.6 (6) | Cu1—O3—C7—C6 | 179.8 (4) |
O2—Ti1—O1—C1 | 13.1 (6) | Ti1—O2—C7—O3 | 175.2 (5) |
O4—Ti1—O2—C7 | −76 (1) | Ti1—O2—C7—C6 | −3 (1) |
O7—Ti1—O2—C7 | 92.7 (7) | C5—C6—C7—O3 | 8.5 (8) |
O1—Ti1—O2—C7 | −4.2 (7) | C1—C6—C7—O3 | −172.3 (5) |
O8—Ti1—O2—C7 | 177.5 (7) | C5—C6—C7—O2 | −173.5 (5) |
O5—Ti1—O2—C7 | −99.4 (7) | C1—C6—C7—O2 | 5.8 (8) |
O1w—Cu1—O3—C7 | −3.4 (8) | Ti1—O4—C8—C9 | 144.6 (4) |
O1wi—Cu1—O3—C7 | 176.6 (8) | Ti1—O4—C8—C13 | −35.7 (7) |
O7—Ti1—O4—C8 | −152.5 (5) | O4—C8—C9—C10 | 179.7 (5) |
O1—Ti1—O4—C8 | −54.7 (5) | C11—C12—C13—C14 | 177.4 (5) |
O8—Ti1—O4—C8 | 120.5 (5) | O4—C8—C13—C12 | −179.7 (5) |
O5—Ti1—O4—C8 | 39.3 (5) | O4—C8—C13—C14 | 3.0 (6) |
O2—Ti1—O4—C8 | 16 (1) | C9—C8—C13—C14 | −177.3 (5) |
O4—Ti1—O5—C14 | −26.9 (6) | Cu2—O6—C14—O5 | −0.6 (8) |
O7—Ti1—O5—C14 | −138 (1) | Cu2—O6—C14—C13 | 179.5 (5) |
O1—Ti1—O5—C14 | 64.8 (6) | Ti1—O5—C14—O6 | −170.3 (5) |
O8—Ti1—O5—C14 | −128.0 (6) | Ti1—O5—C14—C13 | 9.5 (9) |
O2—Ti1—O5—C14 | 147.3 (6) | C12—C13—C14—O6 | 10.9 (8) |
O10ii—Cu2—O6—C14 | −91.3 (5) | C8—C13—C14—O6 | −171.7 (5) |
O10—Cu2—O6—C14 | 88.7 (5) | C12—C13—C14—O5 | −168.9 (5) |
O4—Ti1—O7—C15 | −103.6 (6) | C8—C13—C14—O5 | 8.5 (8) |
O1—Ti1—O7—C15 | 163.1 (5) | Ti1—O7—C15—C16 | −171.5 (4) |
O8—Ti1—O7—C15 | −3.9 (5) | Ti1—O7—C15—C20 | 11.1 (8) |
O5—Ti1—O7—C15 | 5.6 (14) | O7—C15—C16—C17 | −177.6 (5) |
O2—Ti1—O7—C15 | 79.4 (6) | C18—C19—C20—C21 | −176.1 (5) |
O4—Ti1—O8—C21 | 90.2 (6) | O7—C15—C20—C19 | 177.4 (5) |
O7—Ti1—O8—C21 | −8.9 (6) | O7—C15—C20—C21 | −6.8 (5) |
O1—Ti1—O8—C21 | −112 (1) | C16—C15—C20—C21 | 175.8 |
O5—Ti1—O8—C21 | 173.2 (6) | Ti1—O8—C21—O9 | −165.2 (5) |
O2—Ti1—O8—C21 | −103.9 (6) | Ti1—O8—C21—C20 | 13.1 (7) |
O6—Cu2—O10—C22 | 81.1 (7) | C19—C20—C21—O9 | −10.1 (6) |
O6ii—Cu2—O10—C22 | −98.9 (7) | C15—C20—C21—O9 | 174.0 (6) |
Ti1—O1—C1—C2 | 166.6 (4) | C19—C20—C21—O8 | 171.7 (5) |
Ti1—O1—C1—C6 | −14.0 (8) | C15—C20—C21—O8 | −4.2 (5) |
O1—C1—C2—C3 | 179.4 (5) | Cu2—O10—C22—N1 | −179.3 (5) |
C4—C5—C6—C7 | 179.2 (5) | C24—N1—C22—O10 | 172.8 (8) |
O1—C1—C6—C5 | −179.4 (5) | C23—N1—C22—O10 | 1.2 (13) |
Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+1, −y+1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1w—H1w1···O9iii | 0.85 | 1.77 | 2.536 (7) | 148 |
O1w—H1w2···O2 | 0.85 | 1.86 | 2.586 (7) | 143 |
Symmetry code: (iii) −x, −y+2, −z+1. |