The benzene-1,2,4-tricarboxylate trianion in the polymeric title compound, [Cd3(C9H3O6)2(C10H8N2)2(H2O)2]n, uses the carboxylate groups in the 1,2-positions to chelate to a bipyridine-chelated Cd atom, which is simultaneously chelated by the 4-CO2 group of an adjacent trianion. The O atoms of the 1,2-CO2 groups that are not involved in chelation to the first Cd atom are each bonded to water-coordinated Cd atoms that lie on centres of inversion. The trianion links the Cd atoms to form a three-dimensional network structure, which is further consolidated by hydrogen bonds involving the water molecules.
Supporting information
CCDC reference: 262263
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.005 Å
- R factor = 0.023
- wR factor = 0.091
- Data-to-parameter ratio = 15.0
checkCIF/PLATON results
No syntax errors found
Alert level B
ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
Tmin and Tmax reported: 0.594 0.840
Tmin' and Tmax expected: 0.831 0.835
RR' = 0.711
Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.71
PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.23 Ratio
PLAT731_ALERT_1_B Bond Calc 0.85(7), Rep 0.850(10) ...... 7.00 su-Rat
O1W -H1W1 1.555 1.555
PLAT735_ALERT_1_B D-H Calc 0.85(7), Rep 0.850(10) ...... 7.00 su-Rat
O1W -H1# 1.555 1.555
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.79 Ratio
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat
O1W -H1W2 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat
O1W -H2# 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.79(7), Rep 1.79(2) ...... 3.50 su-Rat
H1# -O2 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 2.00(5), Rep 2.00(2) ...... 2.50 su-Rat
H2# -O6 1.555 2.667
0 ALERT level A = In general: serious problem
5 ALERT level B = Potentially serious problem
7 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
7 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
3 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: RAPID AUTO (Rigaku Corporation, 1998); cell refinement: RAPID AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
diaquabis(µ
4-benzene-1,2,4-tricarboxylato)bis(2,2'-bipyridine)tricadmium(II)
top
Crystal data top
[Cd3(C9H3O6)2(C10H8N2)2(H2O)2] | Z = 1 |
Mr = 1099.83 | F(000) = 538 |
Triclinic, P1 | Dx = 1.994 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.683 (4) Å | Cell parameters from 8585 reflections |
b = 11.341 (8) Å | θ = 3.1–27.5° |
c = 11.344 (5) Å | µ = 1.80 mm−1 |
α = 82.12 (2)° | T = 295 K |
β = 71.01 (2)° | Block, colourless |
γ = 79.56 (3)° | 0.1 × 0.1 × 0.1 mm |
V = 916.0 (9) Å3 | |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 4131 independent reflections |
Radiation source: fine-focus sealed tube | 3756 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.015 |
ω scans | θmax = 27.5°, θmin = 3.1° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −7→9 |
Tmin = 0.594, Tmax = 0.840 | k = −14→14 |
9039 measured reflections | l = −14→14 |
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)] = 0.023 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.091 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.29 | w = 1/[σ2(Fo2) + (0.0511P)2 + 0.4079P] where P = (Fo2 + 2Fc2)/3 |
4131 reflections | (Δ/σ)max = 0.001 |
276 parameters | Δρmax = 0.52 e Å−3 |
2 restraints | Δρmin = −0.62 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cd1 | 0.5000 | 0.5000 | 0.5000 | 0.02166 (9) | |
Cd2 | 0.82745 (3) | 0.73114 (2) | 0.71104 (2) | 0.02534 (9) | |
O1 | 0.6302 (3) | 0.4291 (2) | 0.6617 (2) | 0.0288 (5) | |
O2 | 0.6246 (3) | 0.6079 (2) | 0.7234 (2) | 0.0321 (5) | |
O3 | 1.0384 (3) | 0.5773 (2) | 0.6139 (2) | 0.0332 (5) | |
O4 | 1.2512 (3) | 0.4193 (2) | 0.6261 (2) | 0.0299 (5) | |
O5 | 1.2060 (3) | 0.2927 (2) | 1.0722 (2) | 0.0367 (6) | |
O6 | 0.9342 (3) | 0.2607 (2) | 1.2042 (2) | 0.0365 (5) | |
O1W | 0.3916 (3) | 0.6806 (2) | 0.5939 (2) | 0.0290 (5) | |
N1 | 0.8826 (4) | 0.8370 (2) | 0.5175 (3) | 0.0300 (6) | |
N2 | 0.6263 (4) | 0.9130 (3) | 0.7299 (3) | 0.0332 (6) | |
C1 | 1.0048 (5) | 0.7931 (3) | 0.4140 (3) | 0.0377 (8) | |
C2 | 1.0384 (6) | 0.8579 (4) | 0.2986 (4) | 0.0421 (8) | |
C3 | 0.9421 (6) | 0.9716 (4) | 0.2901 (4) | 0.0442 (9) | |
C4 | 0.8144 (6) | 1.0173 (3) | 0.3968 (4) | 0.0385 (8) | |
C5 | 0.7854 (5) | 0.9476 (3) | 0.5099 (3) | 0.0274 (6) | |
C6 | 0.6505 (5) | 0.9910 (3) | 0.6280 (3) | 0.0296 (7) | |
C7 | 0.5547 (6) | 1.1079 (3) | 0.6344 (4) | 0.0424 (9) | |
C8 | 0.4354 (7) | 1.1437 (4) | 0.7464 (5) | 0.054 (11) | |
C9 | 0.4089 (7) | 1.0629 (4) | 0.8513 (4) | 0.0538 (11) | |
C10 | 0.5070 (6) | 0.9486 (4) | 0.8387 (4) | 0.0454 (9) | |
C11 | 0.7764 (4) | 0.4352 (3) | 0.8144 (3) | 0.0202 (5) | |
C12 | 0.9688 (4) | 0.4311 (2) | 0.7883 (3) | 0.0196 (5) | |
C13 | 1.0500 (4) | 0.3806 (3) | 0.8803 (3) | 0.0220 (5) | |
C14 | 0.9441 (4) | 0.3348 (3) | 0.9960 (3) | 0.0235 (6) | |
C15 | 0.7553 (5) | 0.3350 (3) | 1.0190 (3) | 0.0289 (7) | |
C16 | 0.6737 (4) | 0.3840 (3) | 0.9286 (3) | 0.0280 (6) | |
C17 | 0.6720 (4) | 0.4944 (3) | 0.7234 (3) | 0.0226 (6) | |
C18 | 1.0935 (4) | 0.4801 (3) | 0.6665 (3) | 0.0213 (5) | |
C19 | 1.0351 (5) | 0.2923 (3) | 1.0961 (3) | 0.0254 (6) | |
H1W1 | 0.473 (8) | 0.670 (7) | 0.632 (6) | 0.11 (3)* | |
H1W2 | 0.293 (5) | 0.689 (6) | 0.655 (4) | 0.08 (2)* | |
H1 | 1.0697 | 0.7160 | 0.4199 | 0.045* | |
H2 | 1.1245 | 0.8251 | 0.2280 | 0.050* | |
H3 | 0.9626 | 1.0173 | 0.2136 | 0.053* | |
H4 | 0.7485 | 1.0943 | 0.3927 | 0.046* | |
H7 | 0.5718 | 1.1611 | 0.5629 | 0.051* | |
H8 | 0.3725 | 1.2220 | 0.7519 | 0.065* | |
H9 | 0.3272 | 1.0851 | 0.9282 | 0.065* | |
H10 | 0.4896 | 0.8936 | 0.9088 | 0.055* | |
H13 | 1.1773 | 0.3775 | 0.8640 | 0.026* | |
H15 | 0.6842 | 0.3021 | 1.0953 | 0.035* | |
H16 | 0.5475 | 0.3828 | 0.9441 | 0.034* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cd1 | 0.02258 (16) | 0.02335 (16) | 0.01827 (15) | −0.00377 (11) | −0.00646 (12) | 0.00179 (11) |
Cd2 | 0.02959 (14) | 0.02097 (13) | 0.02633 (14) | 0.00167 (9) | −0.01411 (10) | 0.00152 (8) |
O1 | 0.0334 (12) | 0.0296 (12) | 0.0289 (11) | −0.0019 (9) | −0.0188 (10) | −0.0017 (9) |
O2 | 0.0307 (11) | 0.0267 (11) | 0.0440 (13) | 0.0019 (9) | −0.0226 (11) | −0.0004 (10) |
O3 | 0.0332 (12) | 0.0265 (11) | 0.0289 (11) | 0.0050 (9) | −0.0039 (10) | 0.0075 (9) |
O4 | 0.0214 (10) | 0.0278 (11) | 0.0299 (11) | 0.0017 (8) | 0.0005 (9) | 0.0056 (9) |
O5 | 0.0300 (12) | 0.0533 (16) | 0.0270 (11) | −0.0010 (11) | −0.0143 (10) | 0.0035 (10) |
O6 | 0.0364 (13) | 0.0456 (15) | 0.0248 (11) | −0.0043 (11) | −0.0119 (10) | 0.0093 (10) |
O1W | 0.0248 (11) | 0.0264 (11) | 0.0339 (12) | 0.0006 (9) | −0.0096 (10) | −0.0005 (9) |
N1 | 0.0393 (15) | 0.0203 (12) | 0.0290 (13) | 0.0020 (11) | −0.0130 (12) | 0.0002 (10) |
N2 | 0.0399 (16) | 0.0258 (14) | 0.0330 (14) | 0.0052 (11) | −0.0157 (13) | −0.0019 (11) |
C1 | 0.047 (2) | 0.0262 (16) | 0.0354 (18) | 0.0042 (14) | −0.0122 (16) | −0.0022 (13) |
C2 | 0.054 (2) | 0.0374 (19) | 0.0306 (17) | −0.0043 (16) | −0.0081 (16) | −0.0031 (14) |
C3 | 0.065 (3) | 0.0347 (19) | 0.0314 (18) | −0.0117 (17) | −0.0148 (18) | 0.0084 (14) |
C4 | 0.051 (2) | 0.0241 (16) | 0.0438 (19) | −0.0027 (14) | −0.0241 (17) | 0.0064 (14) |
C5 | 0.0312 (15) | 0.0221 (14) | 0.0323 (16) | −0.0023 (12) | −0.0164 (13) | 0.0006 (12) |
C6 | 0.0305 (16) | 0.0221 (15) | 0.0395 (17) | 0.0014 (12) | −0.0188 (14) | −0.0009 (12) |
C7 | 0.045 (2) | 0.0259 (17) | 0.054 (2) | 0.0058 (15) | −0.0198 (18) | 0.0011 (15) |
C8 | 0.054 (2) | 0.034 (2) | 0.070 (3) | 0.0174 (18) | −0.020 (2) | −0.013 (2) |
C9 | 0.054 (2) | 0.050 (3) | 0.047 (2) | 0.015 (2) | −0.009 (2) | −0.0162 (19) |
C10 | 0.050 (2) | 0.043 (2) | 0.0350 (19) | 0.0090 (17) | −0.0108 (17) | −0.0039 (16) |
C11 | 0.0181 (13) | 0.0206 (13) | 0.0222 (13) | −0.0003 (10) | −0.0084 (11) | −0.0010 (10) |
C12 | 0.0191 (13) | 0.0191 (13) | 0.0204 (13) | −0.0004 (10) | −0.0078 (11) | −0.0004 (10) |
C13 | 0.0193 (13) | 0.0223 (14) | 0.0230 (13) | 0.0007 (10) | −0.0072 (11) | −0.0005 (10) |
C14 | 0.0274 (14) | 0.0227 (14) | 0.0200 (13) | 0.0014 (11) | −0.0103 (12) | 0.0009 (10) |
C15 | 0.0268 (15) | 0.0337 (17) | 0.0210 (14) | −0.0042 (12) | −0.0032 (12) | 0.0047 (12) |
C16 | 0.0209 (14) | 0.0346 (17) | 0.0264 (15) | −0.0036 (12) | −0.0061 (12) | 0.0013 (12) |
C17 | 0.0174 (12) | 0.0272 (14) | 0.0217 (13) | −0.0024 (10) | −0.0059 (11) | 0.0010 (11) |
C18 | 0.0203 (13) | 0.0221 (13) | 0.0233 (13) | −0.0035 (10) | −0.0097 (11) | 0.0005 (10) |
C19 | 0.0316 (15) | 0.0243 (14) | 0.0206 (14) | 0.0010 (12) | −0.0122 (12) | 0.0004 (11) |
Geometric parameters (Å, º) top
Cd1—O1 | 2.347 (2) | C6—C7 | 1.394 (5) |
Cd1—O1i | 2.347 (2) | C7—C8 | 1.367 (6) |
Cd1—O4ii | 2.244 (2) | C8—C9 | 1.382 (7) |
Cd1—O4iii | 2.244 (2) | C9—C10 | 1.377 (6) |
Cd1—O1W | 2.330 (3) | C11—C16 | 1.390 (4) |
Cd1—O1Wi | 2.330 (3) | C11—C12 | 1.403 (4) |
Cd2—O2 | 2.235 (3) | C11—C17 | 1.521 (4) |
Cd2—O3 | 2.286 (3) | C12—C13 | 1.391 (4) |
Cd2—O5iv | 2.370 (3) | C12—C18 | 1.502 (4) |
Cd2—O6iv | 2.349 (3) | C13—C14 | 1.388 (4) |
Cd2—N1 | 2.301 (3) | C14—C15 | 1.387 (5) |
Cd2—N2 | 2.332 (3) | C14—C19 | 1.501 (4) |
O1—C17 | 1.232 (4) | C15—C16 | 1.374 (5) |
O2—C17 | 1.273 (4) | O1W—H1W1 | 0.85 (1) |
O3—C18 | 1.251 (4) | O1W—H1W2 | 0.85 (1) |
O4—C18 | 1.255 (4) | C1—H1 | 0.93 |
O5—C19 | 1.252 (4) | C2—H2 | 0.93 |
O6—C19 | 1.263 (4) | C3—H3 | 0.93 |
N1—C1 | 1.334 (5) | C4—H4 | 0.93 |
N1—C5 | 1.346 (4) | C7—H7 | 0.93 |
N2—C10 | 1.338 (5) | C8—H8 | 0.93 |
N2—C6 | 1.339 (4) | C9—H9 | 0.93 |
C1—C2 | 1.381 (5) | C10—H10 | 0.93 |
C2—C3 | 1.374 (6) | C13—H13 | 0.93 |
C3—C4 | 1.383 (6) | C15—H15 | 0.93 |
C4—C5 | 1.386 (5) | C16—H16 | 0.93 |
C5—C6 | 1.484 (5) | | |
| | | |
O1—Cd1—O1i | 180 | C7—C6—C5 | 122.1 (3) |
O1—Cd1—O4ii | 84.6 (1) | C8—C7—C6 | 119.6 (4) |
O1—Cd1—O4iii | 95.4 (1) | C7—C8—C9 | 119.5 (4) |
O1—Cd1—O1W | 87.8 (1) | C10—C9—C8 | 118.0 (4) |
O1—Cd1—O1Wi | 92.2 (1) | N2—C10—C9 | 123.0 (4) |
O1i—Cd1—O4ii | 95.4 (1) | C16—C11—C12 | 119.4 (3) |
O1i—Cd1—O4iii | 84.6 (1) | C16—C11—C17 | 117.5 (3) |
O1i—Cd1—O1W | 92.2 (1) | C12—C11—C17 | 123.1 (3) |
O1i—Cd1—O1Wi | 87.8 (1) | C13—C12—C11 | 118.8 (3) |
O4ii—Cd1—O4iii | 180 | C13—C12—C18 | 117.6 (3) |
O4ii—Cd1—O1W | 91.2 (1) | C11—C12—C18 | 123.7 (3) |
O4ii—Cd1—O1Wi | 88.8 (1) | C14—C13—C12 | 121.1 (3) |
O4iii—Cd1—O1W | 88.8 (1) | C15—C14—C13 | 119.6 (3) |
O4iii—Cd1—O1Wi | 91.2 (1) | C15—C14—C19 | 121.4 (3) |
O1W—Cd1—O1Wi | 180 | C13—C14—C19 | 118.9 (3) |
O2—Cd2—O3 | 82.7 (1) | C16—C15—C14 | 119.8 (3) |
O2—Cd2—N1 | 107.1 (1) | C15—C16—C11 | 121.2 (3) |
O2—Cd2—N2 | 99.0 (1) | O1—C17—O2 | 125.2 (3) |
O2—Cd2—O5iv | 95.1 (1) | O1—C17—C11 | 118.1 (3) |
O3—Cd2—O5iv | 109.5 (1) | O2—C17—C11 | 116.6 (3) |
O2—Cd2—O6iv | 138.4 (1) | O3—C18—O4 | 124.5 (3) |
O3—Cd2—O6iv | 81.4 (1) | O3—C18—C12 | 119.7 (3) |
O3—Cd2—N1 | 87.1 (1) | O4—C18—C12 | 115.8 (3) |
O3—Cd2—N2 | 158.0 (1) | O5—C19—O6 | 121.7 (3) |
O5iv—Cd2—O6iv | 55.5 (1) | O5—C19—C14 | 119.9 (3) |
O5iv—Cd2—N1 | 153.9 (1) | O6—C19—C14 | 118.4 (3) |
O5iv—Cd2—N2 | 92.3 (1) | Cd1—O1W—H1W1 | 94 (5) |
O6iv—Cd2—N1 | 110.2 (1) | Cd1—O1W—H1W2 | 121 (4) |
O6iv—Cd2—N2 | 109.8 (1) | H1W1—O1W—H1W2 | 100 (6) |
N1—Cd2—N2 | 71.3 (1) | N1—C1—H1 | 118.8 |
C17—O1—Cd1 | 124.2 (2) | C2—C1—H1 | 118.8 |
C17—O2—Cd2 | 121.7 (2) | C3—C2—H2 | 120.7 |
C18—O3—Cd2 | 126.0 (2) | C1—C2—H2 | 120.7 |
C18—O4—Cd1v | 122.9 (2) | C2—C3—H3 | 120.4 |
C19—O5—Cd2iv | 90.32 (18) | C4—C3—H3 | 120.4 |
C19—O6—Cd2iv | 91.0 (2) | C3—C4—H4 | 120.2 |
C1—N1—C5 | 119.4 (3) | C5—C4—H4 | 120.2 |
C1—N1—Cd2 | 122.9 (2) | C8—C7—H7 | 120.2 |
C5—N1—Cd2 | 117.7 (2) | C6—C7—H7 | 120.2 |
C10—N2—C6 | 119.0 (3) | C7—C8—H8 | 120.2 |
C10—N2—Cd2 | 123.7 (2) | C9—C8—H8 | 120.2 |
C6—N2—Cd2 | 116.7 (2) | C10—C9—H9 | 121.0 |
N1—C1—C2 | 122.4 (3) | C8—C9—H9 | 121.0 |
C3—C2—C1 | 118.7 (4) | N2—C10—H10 | 118.5 |
C2—C3—C4 | 119.2 (3) | C9—C10—H10 | 118.5 |
C3—C4—C5 | 119.5 (3) | C14—C13—H13 | 119.4 |
N1—C5—C4 | 120.8 (3) | C12—C13—H13 | 119.4 |
N1—C5—C6 | 116.8 (3) | C16—C15—H15 | 120.1 |
C4—C5—C6 | 122.4 (3) | C14—C15—H15 | 120.1 |
N2—C6—C7 | 120.9 (3) | C15—C16—H16 | 119.4 |
N2—C6—C5 | 116.9 (3) | C11—C16—H16 | 119.4 |
| | | |
O4iii—Cd1—O1—C17 | 64.6 (2) | N1—C5—C6—N2 | −5.1 (4) |
O4ii—Cd1—O1—C17 | −115.4 (2) | C4—C5—C6—N2 | 176.1 (3) |
O1W—Cd1—O1—C17 | −23.9 (2) | N1—C5—C6—C7 | 173.9 (3) |
O1Wi—Cd1—O1—C17 | 156.1 (2) | C4—C5—C6—C7 | −5.0 (5) |
O3—Cd2—O2—C17 | 25.7 (2) | N2—C6—C7—C8 | 0.4 (6) |
N1—Cd2—O2—C17 | 110.4 (2) | C5—C6—C7—C8 | −178.4 (4) |
N2—Cd2—O2—C17 | −176.5 (2) | C6—C7—C8—C9 | −1.1 (7) |
O6iv—Cd2—O2—C17 | −42.5 (3) | C7—C8—C9—C10 | 0.8 (8) |
O5iv—Cd2—O2—C17 | −83.3 (2) | C6—N2—C10—C9 | −0.9 (7) |
O2—Cd2—O3—C18 | −76.1 (3) | Cd2—N2—C10—C9 | 170.3 (4) |
N1—Cd2—O3—C18 | 176.3 (3) | C8—C9—C10—N2 | 0.2 (8) |
N2—Cd2—O3—C18 | −172.0 (3) | C16—C11—C12—C13 | −3.0 (4) |
O6iv—Cd2—O3—C18 | 65.4 (3) | C17—C11—C12—C13 | 176.5 (3) |
O5iv—Cd2—O3—C18 | 16.8 (3) | C16—C11—C12—C18 | 178.0 (3) |
O2—Cd2—N1—C1 | −82.8 (3) | C17—C11—C12—C18 | −2.5 (4) |
O3—Cd2—N1—C1 | −1.3 (3) | C11—C12—C13—C14 | 0.1 (4) |
N2—Cd2—N1—C1 | −176.7 (3) | C18—C12—C13—C14 | 179.1 (3) |
O6iv—Cd2—N1—C1 | 78.5 (3) | C12—C13—C14—C15 | 2.5 (5) |
O5iv—Cd2—N1—C1 | 129.9 (3) | C12—C13—C14—C19 | −174.2 (3) |
O2—Cd2—N1—C5 | 96.9 (2) | C13—C14—C15—C16 | −2.1 (5) |
O3—Cd2—N1—C5 | 178.3 (2) | C19—C14—C15—C16 | 174.5 (3) |
N2—Cd2—N1—C5 | 2.9 (2) | C14—C15—C16—C11 | −0.9 (5) |
O6iv—Cd2—N1—C5 | −101.9 (2) | C12—C11—C16—C15 | 3.4 (5) |
O5iv—Cd2—N1—C5 | −50.5 (4) | C17—C11—C16—C15 | −176.1 (3) |
O2—Cd2—N2—C10 | 77.8 (3) | Cd1—O1—C17—O2 | 11.9 (4) |
O3—Cd2—N2—C10 | 170.5 (3) | Cd1—O1—C17—C11 | −172.8 (2) |
N1—Cd2—N2—C10 | −177.1 (3) | Cd2—O2—C17—O1 | −135.1 (3) |
O6iv—Cd2—N2—C10 | −71.7 (3) | Cd2—O2—C17—C11 | 49.6 (3) |
O5iv—Cd2—N2—C10 | −17.8 (3) | C16—C11—C17—O1 | −78.9 (4) |
O2—Cd2—N2—C6 | −110.8 (3) | C12—C11—C17—O1 | 101.6 (3) |
O3—Cd2—N2—C6 | −18.1 (4) | C16—C11—C17—O2 | 96.8 (3) |
N1—Cd2—N2—C6 | −5.7 (2) | C12—C11—C17—O2 | −82.7 (4) |
O6iv—Cd2—N2—C6 | 99.7 (3) | Cd2—O3—C18—O4 | −150.7 (2) |
O5iv—Cd2—N2—C6 | 153.6 (3) | Cd2—O3—C18—C12 | 27.6 (4) |
C5—N1—C1—C2 | 1.1 (6) | Cd1v—O4—C18—O3 | 24.7 (4) |
Cd2—N1—C1—C2 | −179.2 (3) | Cd1v—O4—C18—C12 | −153.7 (2) |
N1—C1—C2—C3 | −0.1 (6) | C13—C12—C18—O3 | −138.9 (3) |
C1—C2—C3—C4 | −0.3 (6) | C11—C12—C18—O3 | 40.1 (4) |
C2—C3—C4—C5 | −0.2 (6) | C13—C12—C18—O4 | 39.5 (4) |
C1—N1—C5—C4 | −1.7 (5) | C11—C12—C18—O4 | −141.5 (3) |
Cd2—N1—C5—C4 | 178.6 (3) | Cd2iv—O5—C19—O6 | −12.6 (3) |
C1—N1—C5—C6 | 179.5 (3) | Cd2iv—O5—C19—C14 | 165.0 (2) |
Cd2—N1—C5—C6 | −0.2 (4) | Cd2iv—O6—C19—O5 | 12.7 (3) |
C3—C4—C5—N1 | 1.3 (6) | Cd2iv—O6—C19—C14 | −165.0 (2) |
C3—C4—C5—C6 | −180.0 (3) | C15—C14—C19—O5 | 179.6 (3) |
C10—N2—C6—C7 | 0.6 (5) | C13—C14—C19—O5 | −3.8 (4) |
Cd2—N2—C6—C7 | −171.3 (3) | C15—C14—C19—O6 | −2.7 (5) |
C10—N2—C6—C5 | 179.5 (3) | C13—C14—C19—O6 | 173.9 (3) |
Cd2—N2—C6—C5 | 7.7 (4) | | |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x−1, y, z; (iii) −x+2, −y+1, −z+1; (iv) −x+2, −y+1, −z+2; (v) x+1, y, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W1···O2 | 0.85 (1) | 1.79 (2) | 2.624 (3) | 164 (8) |
O1W—H1W2···O6vi | 0.85 (1) | 2.00 (2) | 2.836 (4) | 170 (6) |
Symmetry code: (vi) −x+1, −y+1, −z+2. |