In the title compound, {[Zn(C8H4O4)(C24H16N2)]·H2O}n, the Zn center is coordinated by three O atoms from three different benzene-1,3-dicarboxylate dianions and two N atoms from the bidentate 4,7-diphenyl-1,10-phenanthroline ligand to display a distorted trigonal–bipyramidal geometry. The benzene-1,3-dicarboxylate ligand acts as a μ3-bridge, resulting in a two-dimensional coordination polymer with rhombus-shaped channels.
Supporting information
CCDC reference: 627670
Key indicators
- Single-crystal X-ray study
- T = 292 K
- Mean (C-C) = 0.003 Å
- R factor = 0.035
- wR factor = 0.101
- Data-to-parameter ratio = 13.7
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 1
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
2 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
0 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
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: SMART (Bruker, 1998 or 2000); cell refinement: SAINT (Bruker, 1998 or 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL and Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXTL.
Poly[[(4,7-diphenyl-1,10-phenanthroline)zinc(II)]-µ-benzene-1,3-dicarboxylato]
monohydrate]
top
Crystal data top
[Zn(C8H4O4)(C24H16N2)]·H2O | F(000) = 1192 |
Mr = 579.89 | Dx = 1.554 Mg m−3 |
Monoclinic, P21/c | Melting point: not measured K |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 11.4746 (16) Å | θ = 2.4–26.4° |
b = 12.5849 (17) Å | µ = 1.04 mm−1 |
c = 17.284 (2) Å | T = 292 K |
β = 96.647 (2)° | Block, yellow |
V = 2479.2 (6) Å3 | 0.37 × 0.25 × 0.17 mm |
Z = 4 | |
Data collection top
Bruker SMART CCD diffractometer | 4957 independent reflections |
Radiation source: fine-focus sealed tube | 4296 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.045 |
ω scans | θmax = 26.4°, θmin = 2.4° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −14→14 |
Tmin = 0.730, Tmax = 0.833 | k = −15→15 |
13506 measured reflections | l = −21→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)] = 0.035 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.101 | H-atom parameters constrained |
S = 1.13 | w = 1/[σ2(Fo2) + (0.0609P)2 + 0.0069P] where P = (Fo2 + 2Fc2)/3 |
4957 reflections | (Δ/σ)max = 0.001 |
361 parameters | Δρmax = 0.48 e Å−3 |
0 restraints | Δρmin = −0.57 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 | |
Zn1 | 0.353507 (18) | 0.412335 (18) | 0.502509 (12) | 0.02247 (10) | |
N2 | 0.18712 (14) | 0.33027 (14) | 0.48252 (10) | 0.0261 (4) | |
N1 | 0.23449 (13) | 0.52951 (13) | 0.44713 (10) | 0.0248 (4) | |
C20 | −0.10580 (17) | 0.41706 (16) | 0.39164 (13) | 0.0265 (4) | |
H20A | −0.1826 | 0.3926 | 0.3825 | 0.032* | |
C9 | 0.26227 (18) | 0.62698 (17) | 0.42781 (13) | 0.0305 (5) | |
H9A | 0.3378 | 0.6516 | 0.4434 | 0.037* | |
C32 | 0.09764 (16) | 0.38748 (16) | 0.44510 (11) | 0.0229 (4) | |
C31 | 0.12296 (16) | 0.49587 (15) | 0.42615 (11) | 0.0225 (4) | |
C18 | 0.03524 (16) | 0.56011 (16) | 0.38653 (11) | 0.0232 (4) | |
C21 | −0.01499 (16) | 0.34514 (16) | 0.42357 (11) | 0.0247 (4) | |
C30 | 0.16656 (18) | 0.22972 (18) | 0.49813 (13) | 0.0333 (5) | |
H30A | 0.2261 | 0.1906 | 0.5260 | 0.040* | |
C19 | −0.08236 (16) | 0.51871 (16) | 0.37470 (12) | 0.0261 (4) | |
H19A | −0.1435 | 0.5631 | 0.3549 | 0.031* | |
C10 | 0.18320 (18) | 0.69436 (17) | 0.38504 (13) | 0.0314 (5) | |
H10A | 0.2077 | 0.7614 | 0.3710 | 0.038* | |
C23 | −0.14390 (17) | 0.18039 (17) | 0.40776 (13) | 0.0295 (5) | |
C17 | −0.09055 (18) | 0.6987 (2) | 0.25297 (13) | 0.0348 (5) | |
H17A | −0.0883 | 0.6278 | 0.2380 | 0.042* | |
C22 | −0.03249 (17) | 0.23567 (17) | 0.43622 (12) | 0.0279 (4) | |
C11 | 0.06824 (17) | 0.66305 (16) | 0.36299 (12) | 0.0272 (4) | |
C12 | −0.01400 (17) | 0.73557 (17) | 0.31617 (12) | 0.0297 (5) | |
C29 | 0.06038 (18) | 0.17966 (18) | 0.47495 (13) | 0.0338 (5) | |
H29A | 0.0516 | 0.1078 | 0.4855 | 0.041* | |
C28 | −0.1960 (2) | 0.10966 (19) | 0.45495 (15) | 0.0403 (6) | |
H28A | −0.1622 | 0.0984 | 0.5058 | 0.048* | |
C24 | −0.19580 (18) | 0.19525 (18) | 0.33151 (13) | 0.0338 (5) | |
H24A | −0.1624 | 0.2423 | 0.2989 | 0.041* | |
C13 | −0.0156 (2) | 0.84260 (19) | 0.33404 (14) | 0.0380 (5) | |
H13A | 0.0381 | 0.8692 | 0.3738 | 0.046* | |
C25 | −0.2963 (2) | 0.1407 (2) | 0.30425 (15) | 0.0407 (6) | |
H25A | −0.3298 | 0.1507 | 0.2532 | 0.049* | |
C26 | −0.3474 (2) | 0.0715 (2) | 0.35192 (18) | 0.0487 (7) | |
H26A | −0.4156 | 0.0354 | 0.3332 | 0.058* | |
C14 | −0.0957 (2) | 0.9110 (2) | 0.29368 (17) | 0.0469 (7) | |
H14A | −0.0968 | 0.9825 | 0.3072 | 0.056* | |
C16 | −0.1694 (2) | 0.7677 (2) | 0.21271 (14) | 0.0421 (6) | |
H16A | −0.2204 | 0.7427 | 0.1709 | 0.050* | |
C15 | −0.1734 (2) | 0.8729 (2) | 0.23379 (15) | 0.0454 (6) | |
H15A | −0.2286 | 0.9181 | 0.2075 | 0.054* | |
C27 | −0.2971 (2) | 0.0559 (2) | 0.42753 (17) | 0.0503 (7) | |
H27A | −0.3314 | 0.0092 | 0.4599 | 0.060* | |
OW | 0.5926 (4) | 0.8727 (3) | 0.5575 (2) | 0.1594 (15) | |
H1 | 0.5864 | 0.8160 | 0.5946 | 0.191* | |
H2 | 0.5708 | 0.8200 | 0.5162 | 0.191* | |
O2 | 0.44592 (12) | 0.29654 (12) | 0.55949 (8) | 0.0318 (3) | |
C1 | 0.41517 (17) | 0.27640 (16) | 0.62722 (12) | 0.0251 (4) | |
O1 | 0.33072 (13) | 0.31725 (13) | 0.65362 (9) | 0.0370 (4) | |
C8 | 0.46991 (17) | 0.17730 (16) | 0.75216 (11) | 0.0242 (4) | |
H8A | 0.4122 | 0.2157 | 0.7735 | 0.029* | |
C3 | 0.57597 (17) | 0.13817 (17) | 0.64384 (12) | 0.0275 (4) | |
H3A | 0.5896 | 0.1497 | 0.5925 | 0.033* | |
C2 | 0.48935 (16) | 0.19547 (15) | 0.67518 (11) | 0.0230 (4) | |
C7 | 0.51303 (18) | 0.07964 (15) | 0.87999 (12) | 0.0254 (4) | |
C6 | 0.53602 (17) | 0.10219 (15) | 0.79749 (12) | 0.0235 (4) | |
C5 | 0.62284 (17) | 0.04555 (17) | 0.76496 (12) | 0.0289 (5) | |
H5A | 0.6677 | −0.0046 | 0.7946 | 0.035* | |
C4 | 0.64225 (18) | 0.06389 (18) | 0.68875 (13) | 0.0325 (5) | |
H4A | 0.7004 | 0.0260 | 0.6674 | 0.039* | |
O4 | 0.41708 (13) | 0.11162 (13) | 0.89993 (8) | 0.0348 (4) | |
O3 | 0.59039 (14) | 0.03176 (13) | 0.92301 (9) | 0.0399 (4) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Zn1 | 0.02035 (14) | 0.02661 (16) | 0.01926 (15) | −0.00097 (8) | −0.00280 (9) | 0.00056 (8) |
N2 | 0.0216 (8) | 0.0299 (9) | 0.0254 (9) | −0.0004 (7) | −0.0036 (7) | 0.0029 (7) |
N1 | 0.0192 (8) | 0.0276 (9) | 0.0262 (9) | −0.0026 (7) | −0.0029 (6) | −0.0008 (7) |
C20 | 0.0173 (9) | 0.0306 (11) | 0.0308 (12) | −0.0017 (8) | −0.0009 (8) | −0.0016 (8) |
C9 | 0.0241 (10) | 0.0307 (11) | 0.0348 (12) | −0.0059 (9) | −0.0042 (9) | −0.0003 (9) |
C32 | 0.0216 (9) | 0.0263 (10) | 0.0202 (10) | −0.0003 (8) | −0.0003 (7) | −0.0016 (8) |
C31 | 0.0210 (9) | 0.0251 (10) | 0.0208 (10) | −0.0003 (7) | −0.0003 (7) | −0.0033 (8) |
C18 | 0.0213 (9) | 0.0254 (10) | 0.0220 (10) | 0.0002 (8) | −0.0005 (8) | −0.0016 (8) |
C21 | 0.0228 (9) | 0.0279 (11) | 0.0229 (10) | −0.0024 (8) | 0.0011 (8) | −0.0012 (8) |
C30 | 0.0311 (11) | 0.0298 (12) | 0.0365 (13) | −0.0005 (9) | −0.0062 (9) | 0.0088 (9) |
C19 | 0.0206 (9) | 0.0284 (11) | 0.0282 (11) | 0.0036 (8) | −0.0022 (8) | −0.0015 (8) |
C10 | 0.0275 (10) | 0.0255 (11) | 0.0399 (13) | −0.0047 (8) | −0.0014 (9) | 0.0049 (9) |
C23 | 0.0257 (10) | 0.0260 (11) | 0.0357 (12) | −0.0043 (8) | −0.0012 (9) | 0.0002 (9) |
C17 | 0.0308 (11) | 0.0419 (13) | 0.0315 (12) | −0.0002 (9) | 0.0032 (9) | 0.0041 (10) |
C22 | 0.0263 (10) | 0.0294 (11) | 0.0274 (11) | −0.0053 (8) | 0.0004 (8) | 0.0009 (8) |
C11 | 0.0254 (10) | 0.0278 (11) | 0.0279 (11) | 0.0009 (8) | 0.0003 (8) | −0.0001 (8) |
C12 | 0.0248 (10) | 0.0338 (12) | 0.0303 (12) | 0.0018 (8) | 0.0025 (8) | 0.0076 (9) |
C29 | 0.0311 (11) | 0.0276 (11) | 0.0414 (13) | −0.0043 (9) | −0.0010 (10) | 0.0078 (9) |
C28 | 0.0387 (13) | 0.0384 (13) | 0.0429 (15) | −0.0108 (10) | 0.0001 (11) | 0.0054 (11) |
C24 | 0.0311 (11) | 0.0303 (12) | 0.0387 (13) | −0.0024 (9) | −0.0009 (9) | −0.0003 (9) |
C13 | 0.0386 (12) | 0.0342 (12) | 0.0397 (14) | 0.0022 (10) | −0.0020 (10) | 0.0065 (10) |
C25 | 0.0349 (12) | 0.0393 (14) | 0.0446 (15) | 0.0000 (10) | −0.0090 (10) | −0.0042 (11) |
C26 | 0.0306 (12) | 0.0449 (15) | 0.068 (2) | −0.0108 (10) | −0.0045 (12) | −0.0116 (13) |
C14 | 0.0480 (15) | 0.0379 (14) | 0.0556 (18) | 0.0111 (11) | 0.0087 (13) | 0.0151 (11) |
C16 | 0.0309 (11) | 0.0652 (18) | 0.0291 (13) | 0.0026 (11) | −0.0008 (9) | 0.0128 (11) |
C15 | 0.0327 (12) | 0.0605 (17) | 0.0427 (15) | 0.0113 (11) | 0.0036 (11) | 0.0239 (13) |
C27 | 0.0445 (15) | 0.0426 (14) | 0.0639 (19) | −0.0177 (12) | 0.0074 (13) | 0.0062 (13) |
OW | 0.202 (4) | 0.137 (3) | 0.146 (3) | −0.017 (3) | 0.047 (3) | −0.039 (3) |
O2 | 0.0319 (8) | 0.0396 (9) | 0.0232 (8) | 0.0053 (6) | −0.0003 (6) | 0.0100 (6) |
C1 | 0.0238 (9) | 0.0255 (10) | 0.0245 (11) | −0.0027 (8) | −0.0028 (8) | 0.0029 (8) |
O1 | 0.0355 (8) | 0.0384 (9) | 0.0373 (9) | 0.0109 (7) | 0.0054 (7) | 0.0075 (7) |
C8 | 0.0221 (9) | 0.0252 (11) | 0.0250 (11) | −0.0006 (7) | 0.0012 (8) | 0.0016 (8) |
C3 | 0.0280 (10) | 0.0311 (11) | 0.0239 (11) | −0.0015 (9) | 0.0051 (8) | 0.0047 (8) |
C2 | 0.0227 (9) | 0.0233 (10) | 0.0218 (10) | −0.0027 (7) | −0.0020 (8) | 0.0031 (8) |
C7 | 0.0294 (11) | 0.0238 (11) | 0.0213 (11) | −0.0061 (8) | −0.0049 (8) | 0.0013 (7) |
C6 | 0.0220 (9) | 0.0254 (10) | 0.0217 (10) | −0.0041 (8) | −0.0033 (8) | 0.0025 (8) |
C5 | 0.0240 (10) | 0.0308 (11) | 0.0307 (12) | 0.0028 (8) | −0.0024 (8) | 0.0058 (9) |
C4 | 0.0253 (10) | 0.0366 (12) | 0.0361 (13) | 0.0068 (9) | 0.0061 (9) | 0.0025 (10) |
O4 | 0.0323 (8) | 0.0508 (10) | 0.0210 (8) | −0.0002 (7) | 0.0022 (6) | 0.0049 (7) |
O3 | 0.0473 (9) | 0.0416 (10) | 0.0278 (9) | 0.0075 (8) | −0.0090 (7) | 0.0086 (7) |
Geometric parameters (Å, º) top
Zn1—O2 | 1.9941 (14) | C28—H28A | 0.9300 |
Zn1—O4i | 2.0164 (15) | C24—C25 | 1.377 (3) |
Zn1—O3ii | 2.0344 (15) | C24—H24A | 0.9300 |
Zn1—N1 | 2.1571 (17) | C13—C14 | 1.388 (3) |
Zn1—N2 | 2.1630 (17) | C13—H13A | 0.9300 |
N2—C30 | 1.321 (3) | C25—C26 | 1.376 (4) |
N2—C32 | 1.355 (2) | C25—H25A | 0.9300 |
N1—C9 | 1.320 (3) | C26—C27 | 1.380 (4) |
N1—C31 | 1.357 (2) | C26—H26A | 0.9300 |
C20—C19 | 1.347 (3) | C14—C15 | 1.372 (4) |
C20—C21 | 1.441 (3) | C14—H14A | 0.9300 |
C20—H20A | 0.9300 | C16—C15 | 1.375 (4) |
C9—C10 | 1.391 (3) | C16—H16A | 0.9300 |
C9—H9A | 0.9300 | C15—H15A | 0.9300 |
C32—C21 | 1.407 (3) | C27—H27A | 0.9300 |
C32—C31 | 1.440 (3) | OW—H1 | 0.9672 |
C31—C18 | 1.406 (3) | OW—H2 | 0.9853 |
C18—C11 | 1.422 (3) | C1—O2 | 1.286 (2) |
C18—C19 | 1.439 (3) | C1—O1 | 1.230 (2) |
C21—C22 | 1.413 (3) | C1—C2 | 1.512 (3) |
C30—C29 | 1.389 (3) | C8—C2 | 1.393 (3) |
C30—H30A | 0.9300 | C8—C6 | 1.395 (3) |
C19—H19A | 0.9300 | C8—H8A | 0.9300 |
C10—C11 | 1.387 (3) | C3—C4 | 1.385 (3) |
C10—H10A | 0.9300 | C3—C2 | 1.388 (3) |
C23—C28 | 1.389 (3) | C3—H3A | 0.9300 |
C23—C24 | 1.395 (3) | C7—O3 | 1.245 (2) |
C23—C22 | 1.488 (3) | C7—O4 | 1.257 (3) |
C17—C16 | 1.382 (3) | C7—C6 | 1.507 (3) |
C17—C12 | 1.399 (3) | C6—C5 | 1.395 (3) |
C17—H17A | 0.9300 | C5—C4 | 1.381 (3) |
C22—C29 | 1.384 (3) | C5—H5A | 0.9300 |
C11—C12 | 1.484 (3) | C4—H4A | 0.9300 |
C12—C13 | 1.382 (3) | O4—Zn1iii | 2.0164 (15) |
C29—H29A | 0.9300 | O3—Zn1iv | 2.0344 (15) |
C28—C27 | 1.379 (3) | | |
| | | |
O2—Zn1—O4i | 95.69 (6) | C22—C29—C30 | 120.6 (2) |
O2—Zn1—O3ii | 96.67 (7) | C22—C29—H29A | 119.7 |
O4i—Zn1—O3ii | 123.14 (7) | C30—C29—H29A | 119.7 |
O2—Zn1—N1 | 172.70 (6) | C27—C28—C23 | 121.0 (2) |
O4i—Zn1—N1 | 89.25 (6) | C27—C28—H28A | 119.5 |
O3ii—Zn1—N1 | 85.04 (7) | C23—C28—H28A | 119.5 |
O2—Zn1—N2 | 97.99 (6) | C25—C24—C23 | 120.4 (2) |
O4i—Zn1—N2 | 100.99 (6) | C25—C24—H24A | 119.8 |
O3ii—Zn1—N2 | 131.50 (7) | C23—C24—H24A | 119.8 |
N1—Zn1—N2 | 75.74 (6) | C12—C13—C14 | 121.1 (2) |
C30—N2—C32 | 117.58 (17) | C12—C13—H13A | 119.4 |
C30—N2—Zn1 | 126.88 (14) | C14—C13—H13A | 119.4 |
C32—N2—Zn1 | 115.37 (13) | C26—C25—C24 | 120.6 (2) |
C9—N1—C31 | 118.05 (17) | C26—C25—H25A | 119.7 |
C9—N1—Zn1 | 126.05 (13) | C24—C25—H25A | 119.7 |
C31—N1—Zn1 | 115.75 (13) | C25—C26—C27 | 119.8 (2) |
C19—C20—C21 | 121.75 (18) | C25—C26—H26A | 120.1 |
C19—C20—H20A | 119.1 | C27—C26—H26A | 120.1 |
C21—C20—H20A | 119.1 | C15—C14—C13 | 119.8 (2) |
N1—C9—C10 | 122.64 (18) | C15—C14—H14A | 120.1 |
N1—C9—H9A | 118.7 | C13—C14—H14A | 120.1 |
C10—C9—H9A | 118.7 | C15—C16—C17 | 120.7 (2) |
N2—C32—C21 | 123.14 (19) | C15—C16—H16A | 119.6 |
N2—C32—C31 | 116.74 (16) | C17—C16—H16A | 119.6 |
C21—C32—C31 | 120.11 (17) | C14—C15—C16 | 119.9 (2) |
N1—C31—C18 | 123.42 (18) | C14—C15—H15A | 120.0 |
N1—C31—C32 | 116.33 (16) | C16—C15—H15A | 120.0 |
C18—C31—C32 | 120.23 (17) | C28—C27—C26 | 119.9 (2) |
C31—C18—C11 | 117.64 (17) | C28—C27—H27A | 120.1 |
C31—C18—C19 | 117.89 (18) | C26—C27—H27A | 120.1 |
C11—C18—C19 | 124.44 (18) | H1—OW—H2 | 87.2 |
C32—C21—C22 | 118.09 (18) | C1—O2—Zn1 | 114.03 (13) |
C32—C21—C20 | 117.69 (18) | O1—C1—O2 | 124.47 (18) |
C22—C21—C20 | 124.21 (18) | O1—C1—C2 | 119.71 (18) |
N2—C30—C29 | 123.17 (19) | O2—C1—C2 | 115.81 (17) |
N2—C30—H30A | 118.4 | C2—C8—C6 | 120.72 (18) |
C29—C30—H30A | 118.4 | C2—C8—H8A | 119.6 |
C20—C19—C18 | 121.39 (18) | C6—C8—H8A | 119.6 |
C20—C19—H19A | 119.3 | C4—C3—C2 | 120.24 (19) |
C18—C19—H19A | 119.3 | C4—C3—H3A | 119.9 |
C11—C10—C9 | 120.9 (2) | C2—C3—H3A | 119.9 |
C11—C10—H10A | 119.5 | C3—C2—C8 | 119.24 (18) |
C9—C10—H10A | 119.5 | C3—C2—C1 | 121.28 (18) |
C28—C23—C24 | 118.4 (2) | C8—C2—C1 | 119.47 (17) |
C28—C23—C22 | 121.17 (19) | O3—C7—O4 | 125.3 (2) |
C24—C23—C22 | 120.41 (19) | O3—C7—C6 | 117.73 (19) |
C16—C17—C12 | 120.0 (2) | O4—C7—C6 | 117.00 (17) |
C16—C17—H17A | 120.0 | C8—C6—C5 | 119.16 (19) |
C12—C17—H17A | 120.0 | C8—C6—C7 | 121.05 (18) |
C29—C22—C21 | 117.14 (18) | C5—C6—C7 | 119.77 (18) |
C29—C22—C23 | 120.37 (19) | C4—C5—C6 | 120.05 (19) |
C21—C22—C23 | 122.47 (18) | C4—C5—H5A | 120.0 |
C10—C11—C18 | 117.15 (18) | C6—C5—H5A | 120.0 |
C10—C11—C12 | 119.98 (19) | C5—C4—C3 | 120.6 (2) |
C18—C11—C12 | 122.86 (17) | C5—C4—H4A | 119.7 |
C13—C12—C17 | 118.3 (2) | C3—C4—H4A | 119.7 |
C13—C12—C11 | 120.08 (19) | C7—O4—Zn1iii | 127.63 (14) |
C17—C12—C11 | 121.6 (2) | C7—O3—Zn1iv | 152.46 (16) |
Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) −x+1, y+1/2, −z+3/2; (iii) x, −y+1/2, z+1/2; (iv) −x+1, y−1/2, −z+3/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
OW—H1···O4ii | 0.97 | 2.57 | 3.372 (4) | 140 |
OW—H2···O2v | 0.99 | 1.96 | 2.935 (4) | 170 |
Symmetry codes: (ii) −x+1, y+1/2, −z+3/2; (v) −x+1, −y+1, −z+1. |