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From the viewpoint of crystal engineering, the construction of crystalline polymeric materials requires a rational choice of organic bridging ligands for the self-assembly process. Multi­carboxyl­ate ligands are of particular inter­est due to their strong coordination activity towards metal ions, as well as their various coordination modes and versatile conformations. The structural chemistry of di­carboxyl­ate-based coordination polymers of transition metals has been developed through the grafting of N-containing organic linkers into carboxyl­ate-bridged transition metal networks. A new luminescent two-dimensional zinc(II) coordination polymer containing bridging 2,2-di­methyl­succinate and 4,4'-bi­pyridine ligands, namely poly[[aqua­([mu]2-4,4'-bi­pyridine-[kappa]2N:N')bis­([mu]3-2,2-di­methyl­butane­dioato)-[kappa]4O1,O1':O4:O4';[kappa]5O1:O1,O4:O4,O4'-dizinc(II)] dihydrate], {[Zn2(C6H8O4)2(C10H8N2)(H2O)]·2H2O}n, has been synthesized under hydro­thermal conditions and characterized by single-crystal X-ray diffraction and elemental, IR and thermogravimetric analyses. In the structure, the 2,2-di­­methyl­succinate ligands link linear tetra­nuclear ZnII subunits into one-dimensional chains along the c axis. 4,4'-Bi­pyridine acts as a tethering ligand expanding these one-dimensional chains into a two-dimensional layered structure. Hydrogen-bonding inter­actions between the water mol­ecules (both coordinated and free) and carboxyl­ate O atoms strengthen the packing of the layers. Furthermore, the luminescence properties of the complex were investigated. The compound exhibits a blue photoluminescence in the solid state at room temperature and may be a good candidate for potential hybrid inorganic-organic photoactive materials.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229616003211/yf3098sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229616003211/yf3098Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229616003211/yf3098sup3.pdf
IR spectrum of (I)

CCDC reference: 1455646

Computing details top

Data collection: APEX2 (Bruker, 2012); cell refinement: APEX2 (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

Poly[[aqua(µ2-4,4'-bipyridine-κ2N:N')bis(µ3-2,2-dimethylbutanedioato)-κ4O1,O1':O4:O4';κ5O1:O1,O4:O4,O4'-dizinc(II)] dihydrate] top
Crystal data top
[Zn2(C6H8O4)2(C10H8N2)(H2O)]·2H2OZ = 2
Mr = 629.02F(000) = 648
Triclinic, P1Dx = 1.694 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.2372 (15) ÅCell parameters from 6239 reflections
b = 9.7244 (16) Åθ = 2.4–27.3°
c = 14.511 (2) ŵ = 2.01 mm1
α = 79.099 (2)°T = 296 K
β = 83.298 (2)°Block, colorless
γ = 75.012 (2)°0.20 × 0.20 × 0.20 mm
V = 1233.2 (3) Å3
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
4309 independent reflections
Radiation source: fine-focus sealed tube3680 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
phi and ω scansθmax = 25.0°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2012)
h = 1010
Tmin = 0.689, Tmax = 0.689k = 1111
12084 measured reflectionsl = 1717
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.084H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.0325P)2 + 1.9247P]
where P = (Fo2 + 2Fc2)/3
4309 reflections(Δ/σ)max = 0.001
352 parametersΔρmax = 0.63 e Å3
10 restraintsΔρmin = 0.44 e Å3
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
xyzUiso*/Ueq
Zn10.52906 (4)0.95918 (4)0.89274 (2)0.02272 (11)
Zn20.55734 (4)1.09196 (4)0.59956 (2)0.02182 (11)
O50.4641 (2)0.8759 (2)1.03849 (15)0.0242 (5)
O30.4019 (2)0.9778 (2)0.63422 (15)0.0274 (5)
O70.5796 (3)1.0741 (2)0.76166 (15)0.0275 (5)
O40.3968 (3)0.8307 (2)0.53468 (15)0.0333 (6)
O20.4578 (2)0.8031 (2)0.83284 (16)0.0281 (5)
O80.7037 (3)1.1928 (2)0.65191 (15)0.0301 (5)
O10.3015 (2)1.0061 (2)0.85345 (15)0.0282 (5)
O90.7400 (3)0.8256 (3)0.90525 (17)0.0353 (6)
O60.6229 (3)0.6602 (3)1.05799 (19)0.0409 (6)
N10.3692 (3)1.2859 (3)0.60279 (19)0.0253 (6)
N20.7430 (3)0.8960 (3)0.59911 (18)0.0239 (6)
C10.8579 (4)0.8902 (4)0.5333 (2)0.0322 (8)
H10.85570.97020.48640.039*
C20.9787 (4)0.7734 (4)0.5307 (2)0.0313 (8)
H21.05400.77540.48230.038*
C30.9886 (3)0.6529 (3)0.6001 (2)0.0235 (7)
C40.8709 (4)0.6590 (4)0.6692 (3)0.0336 (8)
H40.87190.58130.71780.040*
C50.7524 (4)0.7798 (4)0.6662 (2)0.0318 (8)
H50.67510.78040.71340.038*
C60.2647 (4)1.2964 (4)0.6744 (2)0.0328 (8)
H60.27551.22200.72580.039*
C70.1416 (4)1.4117 (4)0.6762 (2)0.0326 (8)
H70.07231.41350.72820.039*
C81.1196 (3)0.5255 (3)0.6011 (2)0.0233 (7)
C91.2301 (4)0.5148 (4)0.5272 (3)0.0350 (8)
H91.22290.58820.47530.042*
C100.3502 (4)1.3958 (4)0.5306 (3)0.0356 (8)
H100.42201.39170.48000.043*
C170.5011 (3)0.7415 (3)1.0770 (2)0.0233 (7)
C180.3817 (3)0.6789 (3)1.1416 (2)0.0234 (7)
C190.2650 (3)0.7931 (3)1.1886 (2)0.0239 (7)
H19A0.22600.87441.14080.029*
H19B0.18190.75231.21730.029*
C200.6719 (3)1.1538 (3)0.7373 (2)0.0226 (7)
C110.3313 (4)0.8882 (3)0.8217 (2)0.0231 (7)
C120.2138 (3)0.8483 (4)0.7730 (2)0.0250 (7)
C220.4545 (4)0.5540 (4)1.2146 (3)0.0380 (9)
H22A0.52690.48411.18360.057*
H22B0.37880.50991.24960.057*
H22C0.50380.58921.25660.057*
C210.2995 (4)0.6238 (4)1.0753 (3)0.0406 (9)
H21A0.25350.70301.02940.061*
H21B0.22350.58081.11110.061*
H21C0.37010.55301.04410.061*
C130.2896 (4)0.7810 (3)0.6870 (2)0.0255 (7)
H13A0.36180.69210.70890.031*
H13B0.21360.75550.65730.031*
C160.0840 (4)0.9776 (4)0.7445 (3)0.0394 (9)
H16A0.01300.94750.71430.059*
H16B0.12201.05050.70180.059*
H16C0.03531.01610.79950.059*
C150.1528 (4)0.7321 (4)0.8425 (2)0.0362 (9)
H15A0.07830.70470.81390.054*
H15B0.10840.77020.89850.054*
H15C0.23370.64910.85860.054*
C140.3691 (3)0.8713 (3)0.6133 (2)0.0223 (7)
O100.0815 (3)1.1063 (3)0.9783 (2)0.0474 (7)
O110.0566 (3)0.4152 (3)0.9257 (3)0.0650 (9)
H11A0.149 (3)0.413 (5)0.919 (4)0.098*
H11B0.052 (5)0.335 (3)0.923 (5)0.098*
H9A0.803 (5)0.849 (6)0.932 (3)0.098*
H9B0.713 (6)0.763 (5)0.947 (3)0.098*
H10A0.140 (5)1.071 (6)0.935 (3)0.098*
H10B0.011 (4)1.159 (3)0.950 (3)0.098*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0231 (2)0.0236 (2)0.0225 (2)0.00651 (15)0.00045 (14)0.00590 (15)
Zn20.0229 (2)0.01995 (19)0.0216 (2)0.00289 (15)0.00022 (14)0.00491 (14)
O50.0314 (12)0.0196 (11)0.0214 (11)0.0062 (10)0.0016 (9)0.0051 (9)
O30.0293 (12)0.0271 (12)0.0273 (12)0.0109 (10)0.0033 (10)0.0055 (10)
O70.0311 (12)0.0304 (12)0.0227 (12)0.0110 (11)0.0009 (9)0.0042 (10)
O40.0480 (15)0.0258 (12)0.0202 (12)0.0000 (11)0.0050 (10)0.0061 (10)
O20.0230 (12)0.0291 (12)0.0327 (13)0.0043 (10)0.0053 (10)0.0069 (10)
O80.0355 (13)0.0314 (13)0.0230 (12)0.0086 (11)0.0007 (10)0.0038 (10)
O10.0285 (12)0.0304 (12)0.0284 (12)0.0095 (10)0.0036 (10)0.0117 (10)
O90.0287 (13)0.0363 (14)0.0379 (14)0.0027 (11)0.0013 (11)0.0067 (11)
O60.0256 (13)0.0288 (13)0.0603 (18)0.0004 (11)0.0081 (12)0.0033 (12)
N10.0254 (14)0.0216 (13)0.0267 (15)0.0027 (12)0.0001 (11)0.0043 (11)
N20.0220 (13)0.0229 (13)0.0258 (14)0.0038 (11)0.0005 (11)0.0045 (11)
C10.0301 (18)0.0281 (18)0.0307 (19)0.0028 (15)0.0006 (15)0.0061 (15)
C20.0223 (17)0.0331 (18)0.0306 (18)0.0005 (15)0.0043 (14)0.0003 (15)
C30.0215 (16)0.0220 (16)0.0268 (17)0.0035 (13)0.0026 (13)0.0054 (13)
C40.0321 (19)0.0255 (17)0.0343 (19)0.0017 (15)0.0060 (15)0.0044 (15)
C50.0287 (18)0.0294 (18)0.0317 (19)0.0021 (15)0.0082 (14)0.0045 (15)
C60.0342 (19)0.0258 (17)0.0307 (19)0.0008 (15)0.0013 (15)0.0031 (15)
C70.0288 (18)0.0307 (18)0.0289 (18)0.0017 (15)0.0060 (14)0.0007 (15)
C80.0220 (16)0.0209 (15)0.0275 (17)0.0046 (13)0.0031 (13)0.0051 (13)
C90.037 (2)0.0258 (18)0.0312 (19)0.0012 (16)0.0084 (15)0.0031 (15)
C100.0340 (19)0.0289 (18)0.035 (2)0.0003 (16)0.0121 (15)0.0018 (15)
C170.0252 (17)0.0232 (16)0.0241 (17)0.0077 (14)0.0031 (13)0.0070 (13)
C180.0243 (16)0.0193 (15)0.0269 (17)0.0050 (13)0.0016 (13)0.0050 (13)
C190.0223 (16)0.0253 (16)0.0238 (16)0.0070 (14)0.0004 (13)0.0032 (13)
C200.0207 (16)0.0192 (15)0.0253 (17)0.0000 (13)0.0003 (13)0.0054 (13)
C110.0248 (17)0.0294 (17)0.0151 (15)0.0092 (15)0.0043 (12)0.0035 (13)
C120.0223 (16)0.0309 (17)0.0228 (16)0.0070 (14)0.0012 (13)0.0082 (14)
C220.041 (2)0.0240 (18)0.042 (2)0.0002 (16)0.0023 (17)0.0012 (16)
C210.042 (2)0.048 (2)0.042 (2)0.0225 (19)0.0024 (17)0.0203 (18)
C130.0308 (18)0.0275 (17)0.0214 (16)0.0108 (15)0.0013 (13)0.0085 (13)
C160.0261 (18)0.046 (2)0.044 (2)0.0013 (17)0.0059 (16)0.0155 (18)
C150.035 (2)0.051 (2)0.0277 (19)0.0232 (18)0.0044 (15)0.0068 (17)
C140.0172 (15)0.0208 (16)0.0243 (17)0.0030 (13)0.0045 (12)0.0009 (13)
O100.0325 (15)0.0582 (18)0.0568 (18)0.0110 (13)0.0111 (13)0.0313 (15)
O110.0408 (17)0.0526 (19)0.097 (3)0.0143 (15)0.0067 (18)0.0056 (19)
Geometric parameters (Å, º) top
Zn1—O92.049 (2)C6—H60.9300
Zn1—O5i2.060 (2)C7—C8iii1.390 (5)
Zn1—O72.084 (2)C7—H70.9300
Zn1—O12.153 (2)C8—C91.390 (5)
Zn1—O22.155 (2)C8—C7iv1.390 (5)
Zn1—O52.190 (2)C9—C10iv1.378 (5)
Zn1—C112.497 (3)C9—H90.9300
Zn1—Zn1i3.3065 (8)C10—C9iii1.378 (5)
Zn2—O4ii1.989 (2)C10—H100.9300
Zn2—O31.998 (2)C17—C181.534 (4)
Zn2—O82.139 (2)C18—C221.518 (5)
Zn2—N22.210 (3)C18—C191.535 (4)
Zn2—N12.213 (3)C18—C211.538 (5)
Zn2—O72.355 (2)C19—C20i1.508 (4)
Zn2—C202.599 (3)C19—H19A0.9700
O5—C171.294 (4)C19—H19B0.9700
O5—Zn1i2.060 (2)C20—C19i1.508 (4)
O3—C141.248 (4)C11—C121.527 (4)
O7—C201.273 (4)C12—C161.526 (5)
O4—C141.254 (4)C12—C131.531 (4)
O4—Zn2ii1.989 (2)C12—C151.542 (5)
O2—C111.253 (4)C22—H22A0.9600
O8—C201.250 (4)C22—H22B0.9600
O1—C111.268 (4)C22—H22C0.9600
O9—H9A0.841 (19)C21—H21A0.9600
O9—H9B0.838 (19)C21—H21B0.9600
O6—C171.232 (4)C21—H21C0.9600
N1—C61.333 (4)C13—C141.499 (4)
N1—C101.339 (4)C13—H13A0.9700
N2—C51.336 (4)C13—H13B0.9700
N2—C11.339 (4)C16—H16A0.9600
C1—C21.374 (5)C16—H16B0.9600
C1—H10.9300C16—H16C0.9600
C2—C31.384 (5)C15—H15A0.9600
C2—H20.9300C15—H15B0.9600
C3—C41.388 (5)C15—H15C0.9600
C3—C81.490 (4)O10—H10A0.848 (19)
C4—C51.381 (5)O10—H10B0.818 (19)
C4—H40.9300O11—H11A0.840 (19)
C5—H50.9300O11—H11B0.803 (18)
C6—C71.377 (5)
O9—Zn1—O5i103.06 (10)N1—C6—C7123.3 (3)
O9—Zn1—O795.35 (9)N1—C6—H6118.3
O5i—Zn1—O792.54 (9)C7—C6—H6118.3
O9—Zn1—O1151.38 (10)C6—C7—C8iii120.7 (3)
O5i—Zn1—O1105.29 (8)C6—C7—H7119.6
O7—Zn1—O187.29 (9)C8iii—C7—H7119.6
O9—Zn1—O290.81 (9)C9—C8—C7iv115.6 (3)
O5i—Zn1—O2164.35 (9)C9—C8—C3121.8 (3)
O7—Zn1—O293.35 (9)C7iv—C8—C3122.6 (3)
O1—Zn1—O260.57 (8)C10iv—C9—C8120.3 (3)
O9—Zn1—O590.24 (9)C10iv—C9—H9119.9
O5i—Zn1—O577.90 (9)C8—C9—H9119.9
O7—Zn1—O5169.83 (8)N1—C10—C9iii123.6 (3)
O1—Zn1—O591.87 (8)N1—C10—H10118.2
O2—Zn1—O595.06 (8)C9iii—C10—H10118.2
O9—Zn1—C11120.89 (10)O6—C17—O5122.7 (3)
O5i—Zn1—C11135.71 (10)O6—C17—C18119.1 (3)
O7—Zn1—C1188.84 (9)O5—C17—C18118.0 (3)
O1—Zn1—C1130.53 (9)C22—C18—C17110.9 (3)
O2—Zn1—C1130.11 (9)C22—C18—C19110.9 (3)
O5—Zn1—C1195.58 (9)C17—C18—C19112.9 (2)
O9—Zn1—Zn1i98.25 (7)C22—C18—C21109.7 (3)
O5i—Zn1—Zn1i40.36 (6)C17—C18—C21104.5 (3)
O7—Zn1—Zn1i132.81 (6)C19—C18—C21107.5 (3)
O1—Zn1—Zn1i100.71 (6)C20i—C19—C18113.0 (3)
O2—Zn1—Zn1i131.18 (6)C20i—C19—H19A109.0
O5—Zn1—Zn1i37.53 (5)C18—C19—H19A109.0
C11—Zn1—Zn1i120.69 (7)C20i—C19—H19B109.0
O4ii—Zn2—O3120.07 (10)C18—C19—H19B109.0
O4ii—Zn2—O894.35 (10)H19A—C19—H19B107.8
O3—Zn2—O8145.33 (9)O8—C20—O7119.4 (3)
O4ii—Zn2—N293.37 (9)O8—C20—C19i120.6 (3)
O3—Zn2—N292.76 (9)O7—C20—C19i119.8 (3)
O8—Zn2—N288.93 (9)O8—C20—Zn254.80 (16)
O4ii—Zn2—N187.81 (10)O7—C20—Zn264.67 (16)
O3—Zn2—N186.31 (9)C19i—C20—Zn2173.5 (2)
O8—Zn2—N191.37 (9)O2—C11—O1119.0 (3)
N2—Zn2—N1178.76 (10)O2—C11—C12120.2 (3)
O4ii—Zn2—O7152.01 (9)O1—C11—C12120.7 (3)
O3—Zn2—O787.64 (8)O2—C11—Zn159.66 (16)
O8—Zn2—O757.76 (8)O1—C11—Zn159.59 (16)
N2—Zn2—O788.76 (9)C12—C11—Zn1176.9 (2)
N1—Zn2—O790.38 (9)C16—C12—C11112.3 (3)
O4ii—Zn2—C20122.80 (10)C16—C12—C13110.6 (3)
O3—Zn2—C20116.83 (10)C11—C12—C13109.2 (3)
O8—Zn2—C2028.52 (9)C16—C12—C15109.4 (3)
N2—Zn2—C2089.20 (9)C11—C12—C15107.5 (3)
N1—Zn2—C2090.48 (10)C13—C12—C15107.7 (3)
O7—Zn2—C2029.25 (9)C18—C22—H22A109.5
C17—O5—Zn1i122.42 (19)C18—C22—H22B109.5
C17—O5—Zn1124.48 (19)H22A—C22—H22B109.5
Zn1i—O5—Zn1102.10 (9)C18—C22—H22C109.5
C14—O3—Zn2139.7 (2)H22A—C22—H22C109.5
C20—O7—Zn1130.2 (2)H22B—C22—H22C109.5
C20—O7—Zn286.08 (18)C18—C21—H21A109.5
Zn1—O7—Zn2142.47 (11)C18—C21—H21B109.5
C14—O4—Zn2ii139.9 (2)H21A—C21—H21B109.5
C11—O2—Zn190.23 (19)C18—C21—H21C109.5
C20—O8—Zn296.68 (19)H21A—C21—H21C109.5
C11—O1—Zn189.88 (19)H21B—C21—H21C109.5
Zn1—O9—H9A119 (4)C14—C13—C12117.0 (3)
Zn1—O9—H9B95 (4)C14—C13—H13A108.1
H9A—O9—H9B102 (2)C12—C13—H13A108.1
C6—N1—C10116.5 (3)C14—C13—H13B108.1
C6—N1—Zn2121.9 (2)C12—C13—H13B108.1
C10—N1—Zn2121.6 (2)H13A—C13—H13B107.3
C5—N2—C1115.9 (3)C12—C16—H16A109.5
C5—N2—Zn2122.8 (2)C12—C16—H16B109.5
C1—N2—Zn2121.3 (2)H16A—C16—H16B109.5
N2—C1—C2124.2 (3)C12—C16—H16C109.5
N2—C1—H1117.9H16A—C16—H16C109.5
C2—C1—H1117.9H16B—C16—H16C109.5
C1—C2—C3120.1 (3)C12—C15—H15A109.5
C1—C2—H2120.0C12—C15—H15B109.5
C3—C2—H2120.0H15A—C15—H15B109.5
C2—C3—C4116.0 (3)C12—C15—H15C109.5
C2—C3—C8121.7 (3)H15A—C15—H15C109.5
C4—C3—C8122.2 (3)H15B—C15—H15C109.5
C5—C4—C3120.4 (3)O3—C14—O4125.9 (3)
C5—C4—H4119.8O3—C14—C13118.8 (3)
C3—C4—H4119.8O4—C14—C13115.3 (3)
N2—C5—C4123.5 (3)H10A—O10—H10B103 (2)
N2—C5—H5118.3H11A—O11—H11B105 (2)
C4—C5—H5118.3
O9—Zn1—O5—C1741.0 (2)C1—N2—C5—C40.6 (5)
O5i—Zn1—O5—C17144.3 (3)Zn2—N2—C5—C4177.1 (3)
O7—Zn1—O5—C17164.5 (4)C3—C4—C5—N20.3 (6)
O1—Zn1—O5—C17110.4 (2)C10—N1—C6—C70.6 (5)
O2—Zn1—O5—C1749.8 (2)Zn2—N1—C6—C7176.1 (3)
C11—Zn1—O5—C1780.1 (2)N1—C6—C7—C8iii0.2 (6)
Zn1i—Zn1—O5—C17144.3 (3)C2—C3—C8—C97.1 (5)
O9—Zn1—O5—Zn1i103.31 (11)C4—C3—C8—C9174.1 (3)
O5i—Zn1—O5—Zn1i0.000 (1)C2—C3—C8—C7iv171.4 (3)
O7—Zn1—O5—Zn1i20.2 (5)C4—C3—C8—C7iv7.4 (5)
O1—Zn1—O5—Zn1i105.23 (9)C7iv—C8—C9—C10iv1.1 (5)
O2—Zn1—O5—Zn1i165.85 (9)C3—C8—C9—C10iv179.7 (3)
C11—Zn1—O5—Zn1i135.61 (10)C6—N1—C10—C9iii0.6 (5)
O4ii—Zn2—O3—C1452.2 (3)Zn2—N1—C10—C9iii176.1 (3)
O8—Zn2—O3—C14135.4 (3)Zn1i—O5—C17—O6102.5 (3)
N2—Zn2—O3—C1443.3 (3)Zn1—O5—C17—O635.0 (4)
N1—Zn2—O3—C14137.5 (3)Zn1i—O5—C17—C1883.6 (3)
O7—Zn2—O3—C14132.0 (3)Zn1—O5—C17—C18138.9 (2)
C20—Zn2—O3—C14133.8 (3)O6—C17—C18—C2233.0 (4)
O9—Zn1—O7—C2062.9 (3)O5—C17—C18—C22152.8 (3)
O5i—Zn1—O7—C2040.5 (3)O6—C17—C18—C19158.3 (3)
O1—Zn1—O7—C20145.7 (3)O5—C17—C18—C1927.5 (4)
O2—Zn1—O7—C20154.0 (3)O6—C17—C18—C2185.2 (4)
O5—Zn1—O7—C2060.2 (6)O5—C17—C18—C2189.0 (3)
C11—Zn1—O7—C20176.2 (3)C22—C18—C19—C20i54.5 (4)
Zn1i—Zn1—O7—C2043.6 (3)C17—C18—C19—C20i70.7 (3)
O9—Zn1—O7—Zn299.73 (19)C21—C18—C19—C20i174.5 (3)
O5i—Zn1—O7—Zn2156.90 (18)Zn2—O8—C20—O72.0 (3)
O1—Zn1—O7—Zn251.70 (18)Zn2—O8—C20—C19i174.5 (2)
O2—Zn1—O7—Zn28.59 (18)Zn1—O7—C20—O8167.7 (2)
O5—Zn1—O7—Zn2137.2 (4)Zn2—O7—C20—O81.8 (3)
C11—Zn1—O7—Zn221.19 (18)Zn1—O7—C20—C19i15.8 (4)
Zn1i—Zn1—O7—Zn2153.81 (12)Zn2—O7—C20—C19i174.7 (3)
O4ii—Zn2—O7—C204.3 (3)Zn1—O7—C20—Zn2169.5 (2)
O3—Zn2—O7—C20176.60 (18)O4ii—Zn2—C20—O84.3 (2)
O8—Zn2—O7—C201.07 (16)O3—Zn2—C20—O8178.09 (17)
N2—Zn2—O7—C2090.59 (18)N2—Zn2—C20—O889.22 (19)
N1—Zn2—O7—C2090.30 (18)N1—Zn2—C20—O891.98 (19)
O4ii—Zn2—O7—Zn1171.03 (16)O7—Zn2—C20—O8178.1 (3)
O3—Zn2—O7—Zn116.62 (18)O4ii—Zn2—C20—O7177.63 (16)
O8—Zn2—O7—Zn1165.7 (2)O3—Zn2—C20—O73.8 (2)
N2—Zn2—O7—Zn176.19 (18)O8—Zn2—C20—O7178.1 (3)
N1—Zn2—O7—Zn1102.92 (19)N2—Zn2—C20—O788.88 (17)
C20—Zn2—O7—Zn1166.8 (3)N1—Zn2—C20—O789.92 (17)
O9—Zn1—O2—C11177.27 (18)O4ii—Zn2—C20—C19i42.4 (19)
O5i—Zn1—O2—C1130.1 (4)O3—Zn2—C20—C19i131.4 (19)
O7—Zn1—O2—C1181.86 (18)O8—Zn2—C20—C19i46.7 (19)
O1—Zn1—O2—C113.12 (17)N2—Zn2—C20—C19i135.9 (19)
O5—Zn1—O2—C1192.41 (18)N1—Zn2—C20—C19i45.3 (19)
Zn1i—Zn1—O2—C1181.00 (18)O7—Zn2—C20—C19i135 (2)
O4ii—Zn2—O8—C20176.40 (18)Zn1—O2—C11—O15.3 (3)
O3—Zn2—O8—C203.0 (3)Zn1—O2—C11—C12176.4 (2)
N2—Zn2—O8—C2090.31 (19)Zn1—O1—C11—O25.3 (3)
N1—Zn2—O8—C2088.49 (19)Zn1—O1—C11—C12176.4 (2)
O7—Zn2—O8—C201.10 (17)O9—Zn1—C11—O23.2 (2)
O9—Zn1—O1—C113.9 (3)O5i—Zn1—C11—O2168.84 (16)
O5i—Zn1—O1—C11175.80 (17)O7—Zn1—C11—O298.72 (18)
O7—Zn1—O1—C1192.31 (18)O1—Zn1—C11—O2174.6 (3)
O2—Zn1—O1—C113.08 (17)O5—Zn1—C11—O290.46 (17)
O5—Zn1—O1—C1197.84 (18)Zn1i—Zn1—C11—O2120.17 (16)
Zn1i—Zn1—O1—C11134.58 (16)O9—Zn1—C11—O1177.82 (16)
O4ii—Zn2—N1—C6168.5 (3)O5i—Zn1—C11—O15.8 (2)
O3—Zn2—N1—C648.2 (3)O7—Zn1—C11—O186.64 (18)
O8—Zn2—N1—C697.2 (3)O2—Zn1—C11—O1174.6 (3)
N2—Zn2—N1—C67 (5)O5—Zn1—C11—O184.19 (18)
O7—Zn2—N1—C639.4 (3)Zn1i—Zn1—C11—O154.48 (19)
C20—Zn2—N1—C668.7 (3)O9—Zn1—C11—C1286 (4)
O4ii—Zn2—N1—C108.0 (3)O5i—Zn1—C11—C12102 (4)
O3—Zn2—N1—C10128.4 (3)O7—Zn1—C11—C1210 (4)
O8—Zn2—N1—C1086.3 (3)O1—Zn1—C11—C1296 (4)
N2—Zn2—N1—C10170 (5)O2—Zn1—C11—C1289 (4)
O7—Zn2—N1—C10144.0 (3)O5—Zn1—C11—C12179 (100)
C20—Zn2—N1—C10114.8 (3)Zn1i—Zn1—C11—C12151 (4)
O4ii—Zn2—N2—C5164.4 (3)O2—C11—C12—C16165.9 (3)
O3—Zn2—N2—C544.0 (3)O1—C11—C12—C1615.8 (4)
O8—Zn2—N2—C5101.3 (3)Zn1—C11—C12—C1679 (4)
N1—Zn2—N2—C52 (5)O2—C11—C12—C1342.9 (4)
O7—Zn2—N2—C543.6 (3)O1—C11—C12—C13138.8 (3)
C20—Zn2—N2—C572.8 (3)Zn1—C11—C12—C1344 (4)
O4ii—Zn2—N2—C119.3 (3)O2—C11—C12—C1573.7 (4)
O3—Zn2—N2—C1139.6 (3)O1—C11—C12—C15104.6 (3)
O8—Zn2—N2—C175.0 (3)Zn1—C11—C12—C15161 (4)
N1—Zn2—N2—C1179 (100)C16—C12—C13—C1465.6 (4)
O7—Zn2—N2—C1132.8 (3)C11—C12—C13—C1458.5 (4)
C20—Zn2—N2—C1103.5 (3)C15—C12—C13—C14174.9 (3)
C5—N2—C1—C21.4 (5)Zn2—O3—C14—O429.8 (5)
Zn2—N2—C1—C2178.0 (3)Zn2—O3—C14—C13150.1 (3)
N2—C1—C2—C31.3 (6)Zn2ii—O4—C14—O321.0 (5)
C1—C2—C3—C40.3 (5)Zn2ii—O4—C14—C13159.0 (3)
C1—C2—C3—C8178.5 (3)C12—C13—C14—O317.3 (4)
C2—C3—C4—C50.4 (5)C12—C13—C14—O4162.8 (3)
C8—C3—C4—C5179.2 (3)
Symmetry codes: (i) x+1, y+2, z+2; (ii) x+1, y+2, z+1; (iii) x1, y+1, z; (iv) x+1, y1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O11—H11A···O6v0.84 (2)2.09 (3)2.887 (4)159 (5)
O11—H11B···O10vi0.80 (2)2.17 (3)2.911 (4)153 (6)
O9—H9A···O10i0.84 (2)1.94 (2)2.766 (4)166 (5)
O9—H9B···O60.84 (2)1.95 (2)2.768 (4)165 (6)
O9—H9B···O50.84 (2)2.60 (5)3.006 (3)111 (5)
O10—H10A···O10.85 (2)1.84 (2)2.674 (3)166 (5)
Symmetry codes: (i) x+1, y+2, z+2; (v) x+1, y+1, z+2; (vi) x, y1, z.
 

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