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Two ZnII-based coordination polymers (CPs) were synthesized by the hydro­thermal method, using Zn(NO3)2·6H2O and furan-2,5-di­carb­oxy­lic acid (FDCA) in di­methyl­formamide (DMF) solvent, at 95 °C. Poly[tetra­kis­(di­methyl­aza­nium) [tetra­kis­(μ2-furan-2,5-di­carboxyl­ato-κ2O2:O5)dizinc(II)]], {(C2H8N)4[Zn2(C6H2O5)4]}n or {[DMA]4[ZnII2(FDC)4]}n (DMA = di­methyl­azanium and FDC = furan-2,5-di­carboxyl­ate), (1), was obtained with a 1:1 molar ratio of ZnII and FDCA. It crystallized in the monoclinic space group C2/c. Coordinated by ZnII ions, FDC2− ligands form 21 double-stranded helices propagating along the b axis. The helices are inter­connected and extend laterally in the a direction, forming a two-dimensional (2D) sheet-like network. The 2D sheets are stacked along the c direction without inter­connections. DMA cations are cocrystallized in (1) and are hydrogen bonded with carboxyl­ate O atoms of the FDC2− ligands. The hydrogen-bonding pattern consists of R22(4) and R22(10) motifs alternating in a chain. Poly[bis­(di­methyl­aza­nium) [bis­(μ4-furan-2,5-di­carboxyl­ato-κO2O2′O5O5)bis­(μ3-furan-2,5-di­carboxyl­ato-κO2O2′O5)dizinc(II)] di­methyl­form­amide 3.08-solvate], {(C2H8N)2[Zn2(C6H2O5)4]·3.08C3H7NO}n or {[DMA]2[ZnII3(FDC)4]·3.08DMF}n, (2), was obtained with a 1:2 molar ratio of ZnII and FDCA. It crystallized in the monoclinic space group P21/c, forming a three-dimensional network. The pores are filled with DMA cations and DMF solvent mol­ecules.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229618015759/ov3119sup1.cif
Contains datablocks 1, 2, New_Global_Publ_Block

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618015759/ov31191sup2.hkl
Contains datablock 1

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229618015759/ov31192sup3.hkl
Contains datablock 2

CCDC references: 1877433; 1877432

Computing details top

For both structures, data collection: APRX2 (Bruker, 2010); cell refinement: SAINT (Bruker, 2010); data reduction: SAINT (Bruker, 2010); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009), Mercury (Macrae et al., 2008) and VESTA (Momma & Izumi, 2011); software used to prepare material for publication: APEX2 (Bruker, 2010), SHELXL2014 (Sheldrick, 2015b), PLATON (Spek, 2009) and publCIF (Westrip, 2010).

Poly[tetrakis(dimethylazanium) [tetrakis(µ2-furan-2,5-dicarboxylato-κ2O2:O5)dizinc(II)]] (1) top
Crystal data top
(C2H8N)4[Zn2(C6H2O5)4]F(000) = 3840
Mr = 931.42Dx = 1.571 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 23.9306 (6) ÅCell parameters from 10240 reflections
b = 23.9322 (6) Åθ = 2.5–32.4°
c = 14.9917 (4) ŵ = 1.31 mm1
β = 113.4847 (4)°T = 150 K
V = 7874.7 (4) Å3Plate, colourless
Z = 80.26 × 0.17 × 0.04 mm
Data collection top
Bruker SMART APEXII CCD
diffractometer
12993 independent reflections
Radiation source: sealed tube5280 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.044
Detector resolution: 8.333 pixels mm-1θmax = 31.5°, θmin = 1.6°
φ and ω scansh = 3534
Absorption correction: analytical
(XPREP; Bruker, 2010)
k = 3534
Tmin = 0.775, Tmax = 0.949l = 2221
52443 measured reflections
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)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.065H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.0023P)2 + 6.9P]
where P = (Fo2 + 2Fc2)/3
12993 reflections(Δ/σ)max = 0.001
532 parametersΔρmax = 1.26 e Å3
0 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn10.24880 (2)0.31244 (2)0.25004 (2)0.01282 (12)
Zn20.5000000.06399 (2)0.2500000.01318 (14)
Zn30.0000000.06171 (2)0.2500000.01309 (14)
O1A0.32094 (11)0.26434 (9)0.31546 (18)0.0176 (6)
O2A0.36043 (9)0.33271 (7)0.42596 (15)0.0211 (5)
C3A0.36384 (13)0.28761 (11)0.3874 (2)0.0166 (6)
C4A0.42328 (13)0.25774 (11)0.4273 (2)0.0164 (6)
C5A0.47709 (16)0.27004 (13)0.5022 (3)0.0176 (9)
H5A0.4850860.3005980.5459880.021*
C6A0.51892 (16)0.22800 (13)0.5017 (3)0.0181 (8)
H6A0.5604780.2250500.5452110.022*
C7A0.48822 (12)0.19301 (11)0.4274 (2)0.0167 (6)
O8A0.42898 (8)0.21053 (7)0.38013 (14)0.0160 (4)
C9A0.50788 (13)0.14334 (11)0.3874 (2)0.0162 (6)
O10A0.56281 (8)0.13080 (8)0.42544 (15)0.0215 (5)
O11A0.46652 (10)0.11781 (9)0.31633 (18)0.0176 (5)
O1B0.18488 (11)0.25644 (9)0.18466 (19)0.0186 (6)
C3B0.19016 (12)0.23112 (11)0.1131 (2)0.0166 (6)
O2B0.22561 (9)0.24406 (8)0.07421 (15)0.0213 (5)
C4B0.15024 (12)0.18164 (11)0.0733 (2)0.0170 (6)
C5B0.14337 (16)0.14663 (14)0.0019 (3)0.0188 (8)
H5B0.1631390.1493760.0455390.023*
C6B0.10090 (15)0.10527 (13)0.0023 (3)0.0171 (8)
H6B0.0867580.0747100.0460450.021*
C7B0.08430 (12)0.11797 (11)0.0725 (2)0.0164 (6)
O8B0.11411 (8)0.16479 (7)0.11989 (13)0.0160 (4)
C9B0.04462 (12)0.08835 (11)0.1127 (2)0.0168 (6)
O10B0.02234 (9)0.04302 (7)0.07451 (15)0.0213 (5)
O11B0.03711 (10)0.11202 (9)0.18358 (18)0.0177 (5)
O1C0.20893 (11)0.36058 (9)0.31454 (18)0.0188 (6)
O2C0.22469 (9)0.29314 (8)0.42659 (15)0.0213 (5)
C3C0.20188 (12)0.33804 (11)0.3867 (2)0.0162 (6)
C4C0.16255 (12)0.36865 (11)0.4266 (2)0.0163 (6)
C5C0.14619 (16)0.35700 (14)0.5016 (3)0.0183 (8)
H5C0.1595520.3263140.5452580.022*
C6C0.10528 (15)0.39969 (13)0.5018 (3)0.0179 (8)
H6C0.0857030.4031480.5456290.021*
C7C0.09941 (12)0.43480 (11)0.4272 (2)0.0159 (6)
O8C0.13433 (8)0.41634 (7)0.37979 (13)0.0158 (4)
C9C0.06028 (12)0.48445 (11)0.3870 (2)0.0165 (6)
O10C0.02389 (9)0.49740 (8)0.42431 (15)0.0214 (5)
O11C0.06656 (11)0.50992 (9)0.31622 (19)0.0178 (6)
O1D0.28125 (10)0.36821 (9)0.18571 (18)0.0185 (6)
C3D0.24070 (13)0.39302 (11)0.1133 (2)0.0165 (6)
O2D0.18587 (8)0.37994 (8)0.07375 (15)0.0210 (5)
C4D0.26107 (12)0.44224 (11)0.0734 (2)0.0159 (6)
C5D0.23017 (16)0.47734 (13)0.0017 (3)0.0173 (8)
H5D0.1887080.4743970.0456970.021*
C6D0.27237 (16)0.51919 (13)0.0011 (3)0.0177 (9)
H6D0.2646070.5500010.0443830.021*
C7D0.32608 (13)0.50652 (11)0.0735 (2)0.0165 (6)
O8D0.31999 (8)0.45926 (7)0.12017 (13)0.0153 (4)
C9D0.38583 (13)0.53592 (11)0.1130 (2)0.0165 (6)
O10D0.38926 (9)0.58145 (8)0.07567 (15)0.0216 (5)
O11D0.42923 (10)0.51187 (9)0.18375 (19)0.0178 (6)
C1E0.32221 (16)0.14937 (15)0.1656 (3)0.0257 (9)
H1E10.3581500.1265740.2019730.038*
H1E20.2879870.1249200.1284180.038*
H1E30.3115150.1718380.2111990.038*
N2E0.33578 (13)0.18674 (11)0.0983 (2)0.0193 (7)
H2E10.3485500.1658680.0592600.023*
H2E20.3010920.2048160.0597310.023*
C3E0.38312 (16)0.22839 (15)0.1506 (3)0.0252 (8)
H3E10.3674380.2541080.1860590.038*
H3E20.3940190.2494530.1038440.038*
H3E30.4192850.2092160.1967340.038*
C1F0.19098 (17)0.15395 (14)0.3494 (3)0.0252 (8)
H1F10.1607550.1278160.3062040.038*
H1F20.2251450.1329460.3965750.038*
H1F30.2058760.1781390.3108710.038*
N2F0.16249 (13)0.18862 (11)0.4017 (2)0.0194 (7)
H2F10.1517040.1663400.4414000.023*
H2F20.1901990.2138950.4395810.023*
C3F0.10794 (16)0.21866 (15)0.3343 (3)0.0268 (9)
H3F10.1188270.2410110.2887920.040*
H3F20.0925000.2432990.3715250.040*
H3F30.0763640.1915740.2978660.040*
C1G0.06561 (17)0.39711 (14)0.1503 (3)0.0247 (8)
H1G10.0988840.3720300.1887340.037*
H1G20.0323260.3752330.1031070.037*
H1G30.0507270.4170240.1936700.037*
N2G0.08809 (13)0.43795 (11)0.0982 (2)0.0196 (7)
H2G10.0563210.4590430.0583540.024*
H2G20.1037200.4192490.0605360.024*
C3G0.13557 (16)0.47515 (15)0.1660 (3)0.0257 (8)
H3G10.1177220.4983720.2017240.039*
H3G20.1517890.4991940.1290230.039*
H3G30.1685930.4524980.2120530.039*
C1H0.43391 (17)0.40512 (15)0.3345 (3)0.0261 (9)
H1H10.3999760.3827480.2899240.039*
H1H20.4678800.3804280.3718290.039*
H1H30.4471770.4316720.2971400.039*
N2H0.41381 (13)0.43612 (11)0.4020 (2)0.0192 (7)
H2H10.4447730.4583120.4411110.023*
H2H20.4049410.4113590.4405960.023*
C3H0.35951 (16)0.47112 (15)0.3494 (3)0.0246 (8)
H3H10.3679240.4960370.3044000.037*
H3H20.3498980.4934480.3962850.037*
H3H30.3247980.4470250.3128430.037*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0119 (3)0.0113 (2)0.0161 (4)0.00009 (11)0.0065 (3)0.00020 (12)
Zn20.0122 (3)0.0110 (3)0.0177 (4)0.0000.0073 (3)0.000
Zn30.0121 (3)0.0108 (3)0.0174 (4)0.0000.0069 (3)0.000
O1A0.0158 (13)0.0173 (11)0.0173 (16)0.0038 (10)0.0039 (12)0.0032 (10)
O2A0.0262 (11)0.0156 (9)0.0248 (13)0.0004 (8)0.0137 (10)0.0049 (9)
C3A0.0186 (15)0.0154 (13)0.0182 (16)0.0004 (11)0.0099 (13)0.0023 (11)
C4A0.0204 (15)0.0134 (13)0.0179 (17)0.0005 (11)0.0102 (13)0.0019 (11)
C5A0.019 (2)0.0145 (17)0.019 (2)0.0036 (14)0.0070 (18)0.0054 (15)
C6A0.0119 (19)0.0212 (18)0.017 (2)0.0014 (14)0.0013 (16)0.0006 (15)
C7A0.0135 (14)0.0168 (13)0.0187 (17)0.0017 (11)0.0052 (12)0.0028 (12)
O8A0.0136 (10)0.0165 (9)0.0164 (11)0.0010 (8)0.0043 (8)0.0027 (8)
C9A0.0158 (14)0.0171 (13)0.0171 (16)0.0006 (11)0.0080 (12)0.0030 (12)
O10A0.0132 (10)0.0233 (10)0.0271 (13)0.0033 (8)0.0073 (9)0.0024 (9)
O11A0.0150 (12)0.0182 (11)0.0173 (15)0.0041 (9)0.0041 (10)0.0038 (10)
O1B0.0194 (14)0.0202 (11)0.0186 (16)0.0073 (10)0.0102 (12)0.0038 (10)
C3B0.0139 (14)0.0182 (13)0.0176 (16)0.0032 (11)0.0062 (12)0.0041 (11)
O2B0.0191 (11)0.0245 (10)0.0249 (13)0.0006 (8)0.0134 (9)0.0043 (9)
C4B0.0146 (14)0.0186 (13)0.0197 (17)0.0013 (11)0.0088 (12)0.0039 (11)
C5B0.0238 (19)0.0216 (16)0.015 (2)0.0059 (14)0.0118 (16)0.0015 (14)
C6B0.0174 (17)0.0120 (15)0.022 (2)0.0042 (13)0.0084 (16)0.0025 (14)
C7B0.0149 (14)0.0142 (13)0.0183 (17)0.0007 (11)0.0045 (12)0.0007 (11)
O8B0.0170 (10)0.0154 (9)0.0179 (11)0.0028 (8)0.0095 (9)0.0022 (8)
C9B0.0136 (14)0.0157 (13)0.0194 (16)0.0000 (11)0.0049 (12)0.0008 (11)
O10B0.0215 (11)0.0145 (9)0.0264 (13)0.0039 (8)0.0079 (10)0.0036 (8)
O11B0.0206 (12)0.0172 (11)0.0184 (15)0.0064 (9)0.0109 (11)0.0033 (10)
O1C0.0224 (13)0.0182 (11)0.0180 (15)0.0077 (9)0.0104 (11)0.0032 (10)
O2C0.0211 (11)0.0157 (10)0.0242 (12)0.0029 (8)0.0059 (9)0.0032 (8)
C3C0.0143 (13)0.0140 (13)0.0163 (16)0.0021 (11)0.0020 (12)0.0012 (11)
C4C0.0160 (14)0.0134 (13)0.0182 (16)0.0012 (11)0.0054 (12)0.0017 (11)
C5C0.0218 (18)0.0189 (15)0.014 (2)0.0035 (13)0.0066 (15)0.0061 (14)
C6C0.0159 (17)0.0192 (15)0.022 (2)0.0023 (13)0.0112 (16)0.0000 (14)
C7C0.0172 (14)0.0163 (13)0.0161 (16)0.0014 (11)0.0087 (12)0.0015 (11)
O8C0.0170 (10)0.0157 (9)0.0157 (11)0.0032 (8)0.0076 (9)0.0017 (8)
C9C0.0150 (14)0.0179 (13)0.0160 (16)0.0010 (11)0.0057 (12)0.0038 (11)
O10C0.0197 (11)0.0224 (10)0.0267 (13)0.0014 (8)0.0141 (10)0.0032 (9)
O11C0.0213 (14)0.0167 (11)0.0180 (16)0.0059 (10)0.0105 (12)0.0034 (10)
O1D0.0154 (12)0.0194 (11)0.0178 (15)0.0045 (9)0.0036 (11)0.0042 (10)
C3D0.0147 (14)0.0163 (13)0.0191 (17)0.0003 (11)0.0076 (12)0.0029 (12)
O2D0.0137 (10)0.0242 (10)0.0242 (13)0.0034 (8)0.0065 (9)0.0036 (9)
C4D0.0120 (13)0.0169 (13)0.0177 (16)0.0012 (11)0.0047 (12)0.0011 (11)
C5D0.0122 (19)0.0197 (18)0.017 (2)0.0021 (14)0.0031 (17)0.0001 (15)
C6D0.020 (2)0.0152 (17)0.017 (2)0.0038 (14)0.0064 (17)0.0050 (15)
C7D0.0171 (14)0.0144 (13)0.0194 (17)0.0010 (11)0.0086 (13)0.0023 (11)
O8D0.0136 (10)0.0151 (9)0.0156 (11)0.0011 (7)0.0042 (8)0.0026 (8)
C9D0.0207 (15)0.0149 (13)0.0170 (16)0.0007 (11)0.0107 (13)0.0011 (11)
O10D0.0253 (11)0.0160 (9)0.0259 (13)0.0012 (8)0.0125 (10)0.0038 (8)
O11D0.0154 (13)0.0181 (11)0.0172 (16)0.0033 (9)0.0035 (11)0.0039 (10)
C1E0.0225 (18)0.0271 (18)0.028 (2)0.0007 (14)0.0102 (16)0.0022 (15)
N2E0.0186 (17)0.0209 (16)0.017 (2)0.0052 (13)0.0052 (15)0.0013 (14)
C3E0.0245 (18)0.0284 (17)0.023 (2)0.0027 (14)0.0096 (15)0.0021 (14)
C1F0.0285 (19)0.0240 (17)0.022 (2)0.0018 (14)0.0094 (16)0.0015 (14)
N2F0.0216 (18)0.0213 (16)0.015 (2)0.0058 (13)0.0070 (15)0.0004 (14)
C3F0.0244 (19)0.0250 (17)0.031 (2)0.0029 (14)0.0104 (16)0.0013 (15)
C1G0.0240 (18)0.0289 (18)0.021 (2)0.0015 (14)0.0085 (15)0.0012 (14)
N2G0.0217 (18)0.0227 (16)0.015 (2)0.0080 (13)0.0075 (15)0.0023 (14)
C3G0.0256 (19)0.0250 (16)0.027 (2)0.0025 (14)0.0110 (16)0.0006 (14)
C1H0.0277 (19)0.0246 (17)0.029 (2)0.0022 (14)0.0143 (17)0.0003 (15)
N2H0.0197 (17)0.0202 (16)0.016 (2)0.0052 (13)0.0049 (15)0.0014 (13)
C3H0.0255 (19)0.0252 (16)0.0212 (19)0.0014 (14)0.0075 (15)0.0000 (14)
Geometric parameters (Å, º) top
Zn1—O1B1.975 (2)C3D—O2D1.245 (3)
Zn1—O1C1.977 (2)C3D—C4D1.488 (4)
Zn1—O1D1.978 (2)C4D—C5D1.363 (4)
Zn1—O1A1.979 (2)C4D—O8D1.363 (3)
Zn2—O11A1.981 (2)C5D—C6D1.420 (5)
Zn2—O11Ai1.981 (2)C5D—H5D0.9500
Zn2—O11Cii1.984 (2)C6D—C7D1.360 (5)
Zn2—O11Ciii1.984 (2)C6D—H6D0.9500
Zn3—O11Biv1.984 (2)C7D—O8D1.368 (3)
Zn3—O11B1.984 (2)C7D—C9D1.488 (4)
Zn3—O11Dv1.984 (2)C9D—O10D1.242 (3)
Zn3—O11Dii1.984 (2)C9D—O11D1.287 (4)
O1A—C3A1.282 (4)C1E—N2E1.478 (4)
O2A—C3A1.243 (3)C1E—H1E10.9800
C3A—C4A1.488 (4)C1E—H1E20.9800
C4A—C5A1.361 (5)C1E—H1E30.9800
C4A—O8A1.369 (3)N2E—C3E1.478 (4)
C5A—C6A1.421 (5)N2E—H2E10.9100
C5A—H5A0.9500N2E—H2E20.9100
C6A—C7A1.352 (4)C3E—H3E10.9800
C6A—H6A0.9500C3E—H3E20.9800
C7A—O8A1.374 (3)C3E—H3E30.9800
C7A—C9A1.490 (4)C1F—N2F1.481 (4)
C9A—O10A1.243 (3)C1F—H1F10.9800
C9A—O11A1.284 (4)C1F—H1F20.9800
O1B—C3B1.282 (4)C1F—H1F30.9800
C3B—O2B1.244 (3)N2F—C3F1.480 (4)
C3B—C4B1.489 (4)N2F—H2F10.9100
C4B—C5B1.361 (4)N2F—H2F20.9100
C4B—O8B1.371 (3)C3F—H3F10.9800
C5B—C6B1.417 (3)C3F—H3F20.9800
C5B—H5B0.9500C3F—H3F30.9800
C6B—C7B1.364 (4)C1G—N2G1.480 (4)
C6B—H6B0.9500C1G—H1G10.9800
C7B—O8B1.366 (3)C1G—H1G20.9800
C7B—C9B1.491 (4)C1G—H1G30.9800
C9B—O10B1.243 (3)N2G—C3G1.482 (4)
C9B—O11B1.279 (4)N2G—H2G10.9100
O1C—C3C1.279 (4)N2G—H2G20.9100
O2C—C3C1.245 (3)C3G—H3G10.9800
C3C—C4C1.492 (4)C3G—H3G20.9800
C4C—C5C1.360 (4)C3G—H3G30.9800
C4C—O8C1.369 (3)C1H—N2H1.482 (4)
C5C—C6C1.416 (3)C1H—H1H10.9800
C5C—H5C0.9500C1H—H1H20.9800
C6C—C7C1.361 (4)C1H—H1H30.9800
C6C—H6C0.9500N2H—C3H1.482 (4)
C7C—O8C1.369 (3)N2H—H2H10.9100
C7C—C9C1.484 (4)N2H—H2H20.9100
C9C—O10C1.247 (3)C3H—H3H10.9800
C9C—O11C1.284 (4)C3H—H3H20.9800
O1D—C3D1.278 (4)C3H—H3H30.9800
O1B—Zn1—O1C102.05 (10)O8D—C4D—C3D117.9 (2)
O1B—Zn1—O1D126.36 (10)C4D—C5D—C6D106.2 (3)
O1C—Zn1—O1D101.83 (11)C4D—C5D—H5D126.9
O1B—Zn1—O1A101.62 (11)C6D—C5D—H5D126.9
O1C—Zn1—O1A126.31 (10)C7D—C6D—C5D106.5 (3)
O1D—Zn1—O1A101.52 (10)C7D—C6D—H6D126.7
O11A—Zn2—O11Ai98.89 (14)C5D—C6D—H6D126.7
O11A—Zn2—O11Cii105.70 (9)C6D—C7D—O8D110.3 (2)
O11Ai—Zn2—O11Cii125.27 (10)C6D—C7D—C9D131.7 (3)
O11A—Zn2—O11Ciii125.27 (10)O8D—C7D—C9D117.9 (2)
O11Ai—Zn2—O11Ciii105.70 (9)C4D—O8D—C7D106.5 (2)
O11Cii—Zn2—O11Ciii98.59 (13)O10D—C9D—O11D125.9 (3)
O11Biv—Zn3—O11B105.24 (13)O10D—C9D—C7D117.4 (3)
O11Biv—Zn3—O11Dv98.78 (10)O11D—C9D—C7D116.7 (2)
O11B—Zn3—O11Dv125.25 (10)C9D—O11D—Zn3vii113.03 (17)
O11Biv—Zn3—O11Dii125.25 (10)N2E—C1E—H1E1109.5
O11B—Zn3—O11Dii98.78 (10)N2E—C1E—H1E2109.5
O11Dv—Zn3—O11Dii106.10 (13)H1E1—C1E—H1E2109.5
C3A—O1A—Zn1114.34 (18)N2E—C1E—H1E3109.5
O2A—C3A—O1A126.1 (3)H1E1—C1E—H1E3109.5
O2A—C3A—C4A117.4 (3)H1E2—C1E—H1E3109.5
O1A—C3A—C4A116.5 (2)C3E—N2E—C1E112.1 (3)
C5A—C4A—O8A110.4 (2)C3E—N2E—H2E1109.2
C5A—C4A—C3A131.8 (3)C1E—N2E—H2E1109.2
O8A—C4A—C3A117.7 (3)C3E—N2E—H2E2109.2
C4A—C5A—C6A106.2 (3)C1E—N2E—H2E2109.2
C4A—C5A—H5A126.9H2E1—N2E—H2E2107.9
C6A—C5A—H5A126.9N2E—C3E—H3E1109.5
C7A—C6A—C5A106.9 (3)N2E—C3E—H3E2109.5
C7A—C6A—H6A126.6H3E1—C3E—H3E2109.5
C5A—C6A—H6A126.6N2E—C3E—H3E3109.5
C6A—C7A—O8A110.3 (2)H3E1—C3E—H3E3109.5
C6A—C7A—C9A132.1 (3)H3E2—C3E—H3E3109.5
O8A—C7A—C9A117.5 (3)N2F—C1F—H1F1109.5
C4A—O8A—C7A106.3 (2)N2F—C1F—H1F2109.5
O10A—C9A—O11A126.2 (3)H1F1—C1F—H1F2109.5
O10A—C9A—C7A117.0 (3)N2F—C1F—H1F3109.5
O11A—C9A—C7A116.8 (2)H1F1—C1F—H1F3109.5
C9A—O11A—Zn2113.20 (18)H1F2—C1F—H1F3109.5
C3B—O1B—Zn1114.89 (18)C3F—N2F—C1F112.2 (3)
O2B—C3B—O1B126.0 (3)C3F—N2F—H2F1109.2
O2B—C3B—C4B117.3 (3)C1F—N2F—H2F1109.2
O1B—C3B—C4B116.7 (2)C3F—N2F—H2F2109.2
C5B—C4B—O8B110.4 (2)C1F—N2F—H2F2109.2
C5B—C4B—C3B131.9 (3)H2F1—N2F—H2F2107.9
O8B—C4B—C3B117.6 (2)N2F—C3F—H3F1109.5
C4B—C5B—C6B106.5 (2)N2F—C3F—H3F2109.5
C4B—C5B—H5B126.8H3F1—C3F—H3F2109.5
C6B—C5B—H5B126.8N2F—C3F—H3F3109.5
C7B—C6B—C5B106.5 (2)H3F1—C3F—H3F3109.5
C7B—C6B—H6B126.7H3F2—C3F—H3F3109.5
C5B—C6B—H6B126.7N2G—C1G—H1G1109.5
C6B—C7B—O8B110.4 (2)N2G—C1G—H1G2109.5
C6B—C7B—C9B131.8 (3)H1G1—C1G—H1G2109.5
O8B—C7B—C9B117.6 (2)N2G—C1G—H1G3109.5
C7B—O8B—C4B106.3 (2)H1G1—C1G—H1G3109.5
O10B—C9B—O11B126.3 (3)H1G2—C1G—H1G3109.5
O10B—C9B—C7B117.0 (3)C1G—N2G—C3G112.1 (3)
O11B—C9B—C7B116.7 (2)C1G—N2G—H2G1109.2
C9B—O11B—Zn3112.81 (18)C3G—N2G—H2G1109.2
C3C—O1C—Zn1114.84 (18)C1G—N2G—H2G2109.2
O2C—C3C—O1C126.1 (3)C3G—N2G—H2G2109.2
O2C—C3C—C4C117.2 (3)H2G1—N2G—H2G2107.9
O1C—C3C—C4C116.7 (2)N2G—C3G—H3G1109.5
C5C—C4C—O8C110.4 (2)N2G—C3G—H3G2109.5
C5C—C4C—C3C131.8 (3)H3G1—C3G—H3G2109.5
O8C—C4C—C3C117.7 (2)N2G—C3G—H3G3109.5
C4C—C5C—C6C106.3 (2)H3G1—C3G—H3G3109.5
C4C—C5C—H5C126.8H3G2—C3G—H3G3109.5
C6C—C5C—H5C126.8N2H—C1H—H1H1109.5
C7C—C6C—C5C106.8 (2)N2H—C1H—H1H2109.5
C7C—C6C—H6C126.6H1H1—C1H—H1H2109.5
C5C—C6C—H6C126.6N2H—C1H—H1H3109.5
C6C—C7C—O8C110.1 (2)H1H1—C1H—H1H3109.5
C6C—C7C—C9C132.1 (3)H1H2—C1H—H1H3109.5
O8C—C7C—C9C117.7 (2)C1H—N2H—C3H112.0 (3)
C4C—O8C—C7C106.4 (2)C1H—N2H—H2H1109.2
O10C—C9C—O11C125.8 (3)C3H—N2H—H2H1109.2
O10C—C9C—C7C117.2 (3)C1H—N2H—H2H2109.2
O11C—C9C—C7C117.0 (2)C3H—N2H—H2H2109.2
C9C—O11C—Zn2vi112.85 (18)H2H1—N2H—H2H2107.9
C3D—O1D—Zn1114.53 (18)N2H—C3H—H3H1109.5
O2D—C3D—O1D125.9 (3)N2H—C3H—H3H2109.5
O2D—C3D—C4D117.3 (3)H3H1—C3H—H3H2109.5
O1D—C3D—C4D116.7 (2)N2H—C3H—H3H3109.5
C5D—C4D—O8D110.5 (2)H3H1—C3H—H3H3109.5
C5D—C4D—C3D131.5 (3)H3H2—C3H—H3H3109.5
Zn1—O1A—C3A—O2A10.5 (4)Zn1—O1C—C3C—O2C10.4 (4)
Zn1—O1A—C3A—C4A168.86 (18)Zn1—O1C—C3C—C4C169.57 (18)
O2A—C3A—C4A—C5A1.2 (5)O2C—C3C—C4C—C5C0.6 (5)
O1A—C3A—C4A—C5A179.4 (3)O1C—C3C—C4C—C5C179.5 (3)
O2A—C3A—C4A—O8A174.6 (2)O2C—C3C—C4C—O8C176.2 (2)
O1A—C3A—C4A—O8A4.9 (4)O1C—C3C—C4C—O8C3.8 (4)
O8A—C4A—C5A—C6A0.0 (4)O8C—C4C—C5C—C6C0.2 (3)
C3A—C4A—C5A—C6A176.0 (3)C3C—C4C—C5C—C6C176.8 (3)
C4A—C5A—C6A—C7A0.1 (4)C4C—C5C—C6C—C7C0.2 (3)
C5A—C6A—C7A—O8A0.2 (4)C5C—C6C—C7C—O8C0.2 (3)
C5A—C6A—C7A—C9A176.4 (3)C5C—C6C—C7C—C9C175.3 (3)
C5A—C4A—O8A—C7A0.1 (3)C5C—C4C—O8C—C7C0.0 (3)
C3A—C4A—O8A—C7A176.7 (2)C3C—C4C—O8C—C7C177.4 (2)
C6A—C7A—O8A—C4A0.2 (3)C6C—C7C—O8C—C4C0.1 (3)
C9A—C7A—O8A—C4A177.0 (2)C9C—C7C—O8C—C4C176.0 (2)
C6A—C7A—C9A—O10A2.1 (5)C6C—C7C—C9C—O10C2.2 (5)
O8A—C7A—C9A—O10A173.8 (2)O8C—C7C—C9C—O10C172.6 (2)
C6A—C7A—C9A—O11A178.4 (3)C6C—C7C—C9C—O11C178.4 (3)
O8A—C7A—C9A—O11A5.6 (4)O8C—C7C—C9C—O11C6.8 (4)
O10A—C9A—O11A—Zn212.5 (4)O10C—C9C—O11C—Zn2vi12.3 (4)
C7A—C9A—O11A—Zn2166.93 (18)C7C—C9C—O11C—Zn2vi166.96 (19)
Zn1—O1B—C3B—O2B10.7 (4)Zn1—O1D—C3D—O2D10.2 (4)
Zn1—O1B—C3B—C4B169.09 (18)Zn1—O1D—C3D—C4D169.30 (18)
O2B—C3B—C4B—C5B1.7 (5)O2D—C3D—C4D—C5D0.4 (5)
O1B—C3B—C4B—C5B178.5 (3)O1D—C3D—C4D—C5D180.0 (3)
O2B—C3B—C4B—O8B175.6 (2)O2D—C3D—C4D—O8D175.6 (2)
O1B—C3B—C4B—O8B4.2 (4)O1D—C3D—C4D—O8D3.9 (4)
O8B—C4B—C5B—C6B0.4 (3)O8D—C4D—C5D—C6D0.6 (4)
C3B—C4B—C5B—C6B177.0 (3)C3D—C4D—C5D—C6D175.7 (3)
C4B—C5B—C6B—C7B0.4 (3)C4D—C5D—C6D—C7D0.6 (4)
C5B—C6B—C7B—O8B0.2 (3)C5D—C6D—C7D—O8D0.3 (4)
C5B—C6B—C7B—C9B175.4 (3)C5D—C6D—C7D—C9D176.8 (3)
C6B—C7B—O8B—C4B0.0 (3)C5D—C4D—O8D—C7D0.4 (3)
C9B—C7B—O8B—C4B175.9 (2)C3D—C4D—O8D—C7D176.4 (2)
C5B—C4B—O8B—C7B0.2 (3)C6D—C7D—O8D—C4D0.0 (3)
C3B—C4B—O8B—C7B177.6 (2)C9D—C7D—O8D—C4D177.0 (2)
C6B—C7B—C9B—O10B1.5 (5)C6D—C7D—C9D—O10D2.6 (5)
O8B—C7B—C9B—O10B173.4 (2)O8D—C7D—C9D—O10D173.6 (2)
C6B—C7B—C9B—O11B178.9 (3)C6D—C7D—C9D—O11D178.0 (3)
O8B—C7B—C9B—O11B6.3 (4)O8D—C7D—C9D—O11D5.8 (4)
O10B—C9B—O11B—Zn312.8 (4)O10D—C9D—O11D—Zn3vii12.5 (4)
C7B—C9B—O11B—Zn3166.81 (18)C7D—C9D—O11D—Zn3vii166.86 (19)
Symmetry codes: (i) x+1, y, z+1/2; (ii) x+1/2, y1/2, z+1/2; (iii) x+1/2, y1/2, z; (iv) x, y, z+1/2; (v) x1/2, y1/2, z; (vi) x1/2, y+1/2, z; (vii) x+1/2, y+1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2E—H2E1···O10Ai0.912.212.915 (3)134
N2E—H2E1···O2Dviii0.912.132.899 (3)141
N2E—H2E2···O2B0.912.122.864 (3)138
N2E—H2E2···O2Bviii0.912.222.926 (4)134
N2F—H2F1···O2Aix0.912.122.893 (3)142
N2F—H2F1···O10Dii0.912.232.926 (3)133
N2F—H2F2···O2C0.912.112.858 (3)139
N2F—H2F2···O2Cix0.912.222.927 (4)134
N2G—H2G1···O10Civ0.912.232.932 (3)133
N2G—H2G1···O10Cx0.912.122.891 (4)142
N2G—H2G2···O10Axi0.912.222.922 (4)134
N2G—H2G2···O2D0.912.122.867 (3)139
N2H—H2H1···O10Bxii0.912.222.928 (3)134
N2H—H2H1···O10Bxiii0.912.122.886 (4)141
N2H—H2H2···O2A0.912.132.872 (3)138
N2H—H2H2···O10Dxiv0.912.212.918 (4)134
Symmetry codes: (i) x+1, y, z+1/2; (ii) x+1/2, y1/2, z+1/2; (iv) x, y, z+1/2; (viii) x+1/2, y+1/2, z; (ix) x+1/2, y+1/2, z+1; (x) x, y+1, z1/2; (xi) x1/2, y+1/2, z1/2; (xii) x+1/2, y+1/2, z+1/2; (xiii) x+1/2, y+1/2, z+1/2; (xiv) x, y+1, z+1/2.
Poly[bis(dimethylazanium) [bis(µ4-furan-2,5-dicarboxylato-κO2:κO2':κO5:κO5)bis(µ3-furan-2,5-dicarboxylato-κO2:κO2':κO5)dizinc(II)] dimethylformamide 3.08-solvate] (2) top
Crystal data top
(C2H8N)2[Zn2(C6H2O5)4]·3.08C3H7NOF(000) = 1159
Mr = 1130.50Dx = 1.508 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 9.2803 (3) ÅCell parameters from 17707 reflections
b = 15.1916 (5) Åθ = 2.2–31.7°
c = 17.7731 (6) ŵ = 1.52 mm1
β = 96.4221 (6)°T = 150 K
V = 2489.97 (14) Å3Block, colourless
Z = 20.33 × 0.30 × 0.15 mm
Data collection top
Bruker SMART APEXII CCD
diffractometer
7255 independent reflections
Radiation source: sealed tube6472 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.021
Detector resolution: 8.333 pixels mm-1θmax = 30.0°, θmin = 1.8°
φ and ω scansh = 1313
Absorption correction: multi-scan
(SADABS; Krause et al., 2015)
k = 2120
Tmin = 0.605, Tmax = 0.796l = 2424
41068 measured reflections
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)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.115H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0119P)2 + 11.1698P]
where P = (Fo2 + 2Fc2)/3
7255 reflections(Δ/σ)max = 0.001
361 parametersΔρmax = 1.76 e Å3
121 restraintsΔρmin = 1.18 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. DMA counter ion and DMF solvent molecule are disordered in 2 orientations and were refined with geometric and atomic displacement parameters restrained to be similar. ADPs are also restrained to correspond to rigid body motions.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn10.5000000.5000001.0000000.02270 (11)
Zn20.42599 (3)0.61076 (2)0.83985 (2)0.02074 (8)
O1A0.3026 (2)0.46504 (15)0.94902 (13)0.0281 (5)
O2A0.2326 (2)0.57061 (16)0.86327 (12)0.0285 (5)
C3A0.2101 (3)0.5076 (2)0.90644 (16)0.0240 (6)
C4A0.0572 (3)0.4795 (2)0.90756 (16)0.0241 (6)
C5A0.0023 (3)0.4055 (2)0.93325 (19)0.0293 (6)
H5A0.0479390.3553760.9547310.035*
C6A0.1553 (3)0.4177 (2)0.92162 (18)0.0285 (6)
H6A0.2275870.3773370.9335390.034*
O8A0.0480 (2)0.53740 (15)0.87952 (11)0.0236 (4)
C9A0.3087 (3)0.5513 (2)0.86701 (16)0.0235 (5)
C7A0.1772 (3)0.4985 (2)0.89015 (16)0.0231 (5)
O10A0.4299 (2)0.52153 (15)0.88787 (12)0.0241 (4)
O11A0.3037 (2)0.61822 (17)0.82919 (13)0.0323 (5)
O1B0.3871 (4)0.5295 (2)0.71541 (18)0.0609 (9)
O2B0.4031 (3)0.6704 (2)0.73894 (13)0.0434 (7)
C3B0.3940 (4)0.6060 (3)0.69386 (19)0.0401 (9)
C4B0.3949 (4)0.6244 (2)0.61219 (18)0.0317 (7)
C5B0.3848 (5)0.5702 (3)0.5522 (2)0.0412 (8)
H5B0.3703630.5082940.5523330.049*
C6B0.4002 (5)0.6242 (2)0.48841 (19)0.0390 (8)
H6B0.3975700.6053380.4373090.047*
C7B0.4194 (3)0.7075 (2)0.51421 (16)0.0268 (6)
O8B0.4160 (2)0.70942 (16)0.59083 (11)0.0272 (4)
C9B0.4401 (3)0.7915 (2)0.47440 (16)0.0241 (5)
O10B0.4452 (3)0.78259 (15)0.40358 (12)0.0296 (5)
O11B0.4473 (2)0.86162 (15)0.51109 (12)0.0262 (4)
C1C0.6353 (7)0.8458 (5)0.7049 (4)0.0629 (17)0.776 (7)
H1C10.5748930.8414550.6561120.094*0.776 (7)
H1C20.7136510.8023350.7067100.094*0.776 (7)
H1C30.6767700.9050240.7106510.094*0.776 (7)
C2C0.3980 (7)0.8689 (4)0.7584 (4)0.0643 (18)0.776 (7)
H2C10.4048200.9314170.7721020.096*0.776 (7)
H2C20.3406890.8379350.7931680.096*0.776 (7)
H2C30.3510190.8629630.7064720.096*0.776 (7)
N1C0.5499 (8)0.8293 (5)0.7638 (5)0.0759 (18)0.776 (7)
H1C40.5999090.8487990.8076040.091*0.776 (7)
H1C50.5409480.7698990.7681060.091*0.776 (7)
C1D0.663 (2)0.8323 (12)0.8278 (11)0.047 (4)0.224 (7)
H1D10.7014890.7774490.8091920.071*0.224 (7)
H1D20.6473960.8253680.8811470.071*0.224 (7)
H1D30.7313750.8802910.8227670.071*0.224 (7)
C2D0.513 (3)0.8508 (15)0.6928 (12)0.064 (4)0.224 (7)
H2D10.5062170.9113450.6736170.096*0.224 (7)
H2D20.4255250.8182490.6736420.096*0.224 (7)
H2D30.5982330.8221190.6756070.096*0.224 (7)
N1D0.529 (3)0.852 (2)0.7848 (15)0.0759 (18)0.224 (7)
H1D40.5023970.9067700.7990580.091*0.224 (7)
H1D50.4621580.8138180.7995510.091*0.224 (7)
C1E0.9981 (9)0.8863 (6)0.9853 (5)0.083 (3)0.731 (6)
H1E11.0563070.8682461.0321420.125*0.731 (6)
H1E20.9135950.9197880.9976680.125*0.731 (6)
H1E31.0569630.9232680.9553970.125*0.731 (6)
C2E1.0522 (9)0.7540 (5)0.9148 (5)0.080 (3)0.731 (6)
H2E11.1064580.7864460.8795480.120*0.731 (6)
H2E21.0018750.7042240.8883970.120*0.731 (6)
H2E31.1193350.7320540.9571220.120*0.731 (6)
N1E0.9505 (6)0.8100 (4)0.9424 (4)0.0672 (19)0.731 (6)
C3E0.8234 (8)0.8076 (5)0.9054 (6)0.080 (3)0.731 (6)
H3D0.8033620.7572310.8742860.096*0.731 (6)
O1E0.7253 (6)0.8607 (4)0.9045 (5)0.101 (2)0.731 (6)
C1F0.7740 (8)0.9140 (9)0.1494 (6)0.162 (5)0.811 (6)
H1F10.7708990.8979190.0958370.244*0.811 (6)
H1F20.7304400.9722460.1537300.244*0.811 (6)
H1F30.7196830.8704570.1756130.244*0.811 (6)
C2F0.9906 (8)0.8380 (6)0.2079 (5)0.097 (3)0.811 (6)
H2F11.0803930.8520860.2400840.145*0.811 (6)
H2F21.0134220.8035940.1641850.145*0.811 (6)
H2F30.9266120.8037780.2370810.145*0.811 (6)
N1F0.9213 (6)0.9158 (6)0.1830 (4)0.097 (2)0.811 (6)
C3F0.9796 (12)0.9914 (7)0.2006 (5)0.111 (3)0.811 (6)
H3F1.0768860.9890300.2237860.133*0.811 (6)
O1F0.9289 (12)1.0651 (6)0.1920 (6)0.179 (4)0.811 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0159 (2)0.0302 (2)0.0219 (2)0.00078 (17)0.00181 (16)0.00438 (18)
Zn20.01996 (15)0.02485 (16)0.01738 (14)0.00132 (12)0.00194 (11)0.00302 (12)
O1A0.0160 (9)0.0335 (12)0.0344 (11)0.0001 (8)0.0006 (8)0.0065 (9)
O2A0.0179 (9)0.0393 (13)0.0287 (11)0.0000 (9)0.0037 (8)0.0083 (9)
C3A0.0150 (11)0.0329 (15)0.0245 (13)0.0006 (10)0.0037 (10)0.0006 (11)
C4A0.0145 (11)0.0337 (15)0.0243 (13)0.0016 (10)0.0030 (10)0.0014 (11)
C5A0.0173 (12)0.0344 (17)0.0364 (16)0.0021 (11)0.0046 (11)0.0046 (13)
C6A0.0166 (12)0.0355 (16)0.0342 (16)0.0012 (11)0.0056 (11)0.0021 (13)
O8A0.0129 (8)0.0339 (11)0.0242 (10)0.0005 (8)0.0029 (7)0.0024 (8)
C9A0.0162 (12)0.0349 (15)0.0196 (12)0.0007 (11)0.0027 (9)0.0029 (11)
C7A0.0132 (11)0.0349 (15)0.0215 (12)0.0012 (10)0.0036 (9)0.0012 (11)
O10A0.0133 (8)0.0341 (11)0.0248 (10)0.0012 (8)0.0020 (7)0.0008 (8)
O11A0.0229 (10)0.0402 (13)0.0343 (12)0.0035 (9)0.0049 (9)0.0090 (10)
O1B0.068 (2)0.071 (2)0.0465 (17)0.0187 (17)0.0205 (15)0.0339 (16)
O2B0.0306 (12)0.079 (2)0.0201 (11)0.0048 (13)0.0013 (9)0.0108 (12)
C3B0.0250 (15)0.070 (3)0.0259 (15)0.0096 (16)0.0064 (12)0.0182 (17)
C4B0.0292 (15)0.0417 (19)0.0245 (14)0.0048 (13)0.0049 (11)0.0098 (13)
C5B0.058 (2)0.0326 (18)0.0345 (18)0.0006 (16)0.0115 (16)0.0080 (14)
C6B0.061 (2)0.0328 (18)0.0240 (15)0.0015 (16)0.0087 (15)0.0010 (13)
C7B0.0308 (15)0.0326 (16)0.0174 (12)0.0014 (12)0.0046 (11)0.0019 (11)
O8B0.0258 (10)0.0383 (12)0.0174 (9)0.0006 (9)0.0030 (8)0.0016 (8)
C9B0.0198 (12)0.0295 (15)0.0234 (13)0.0014 (11)0.0042 (10)0.0010 (11)
O10B0.0402 (12)0.0275 (11)0.0224 (10)0.0020 (9)0.0093 (9)0.0013 (8)
O11B0.0222 (10)0.0300 (11)0.0267 (10)0.0000 (8)0.0041 (8)0.0031 (9)
C1C0.061 (4)0.060 (4)0.066 (4)0.023 (3)0.000 (3)0.022 (3)
C2C0.066 (4)0.054 (4)0.068 (4)0.007 (3)0.010 (3)0.019 (3)
N1C0.074 (3)0.070 (4)0.079 (4)0.001 (3)0.013 (3)0.006 (3)
C1D0.055 (8)0.037 (8)0.049 (8)0.012 (7)0.001 (6)0.011 (7)
C2D0.075 (9)0.049 (8)0.062 (6)0.006 (8)0.015 (7)0.008 (7)
N1D0.074 (3)0.070 (4)0.079 (4)0.001 (3)0.013 (3)0.006 (3)
C1E0.064 (5)0.111 (7)0.074 (5)0.028 (5)0.006 (4)0.041 (5)
C2E0.109 (7)0.041 (4)0.096 (6)0.001 (4)0.037 (5)0.007 (4)
N1E0.048 (3)0.050 (3)0.096 (5)0.008 (2)0.028 (3)0.016 (3)
C3E0.054 (4)0.047 (4)0.134 (8)0.002 (3)0.008 (5)0.008 (4)
O1E0.067 (4)0.076 (4)0.158 (7)0.007 (3)0.004 (4)0.012 (4)
C1F0.049 (4)0.323 (14)0.111 (7)0.017 (6)0.009 (4)0.119 (8)
C2F0.065 (4)0.145 (6)0.077 (5)0.020 (5)0.004 (4)0.004 (5)
N1F0.052 (3)0.174 (6)0.065 (4)0.018 (4)0.006 (3)0.033 (4)
C3F0.139 (7)0.134 (6)0.062 (4)0.022 (5)0.020 (5)0.034 (5)
O1F0.224 (10)0.168 (6)0.155 (8)0.049 (7)0.064 (7)0.061 (6)
Geometric parameters (Å, º) top
Zn1—O1Ai2.022 (2)C1C—H1C30.9800
Zn1—O1A2.022 (2)C2C—N1C1.526 (10)
Zn1—O11Bii2.172 (2)C2C—H2C10.9800
Zn1—O11Biii2.172 (2)C2C—H2C20.9800
Zn1—O10Aiv2.189 (2)C2C—H2C30.9800
Zn1—O10Av2.189 (2)N1C—H1C40.9100
Zn2—O10Bii1.973 (2)N1C—H1C50.9100
Zn2—O2A1.984 (2)C1D—N1D1.41 (3)
Zn2—O2B2.000 (2)C1D—H1D10.9800
Zn2—O10Aiv2.024 (2)C1D—H1D20.9800
O1A—C3A1.258 (4)C1D—H1D30.9800
O2A—C3A1.259 (4)C2D—N1D1.63 (3)
C3A—C4A1.484 (4)C2D—H2D10.9800
C4A—C5A1.355 (4)C2D—H2D20.9800
C4A—O8A1.366 (3)C2D—H2D30.9800
C5A—C6A1.424 (4)N1D—H1D40.9100
C5A—H5A0.9500N1D—H1D50.9100
C6A—C7A1.355 (5)C1E—N1E1.430 (7)
C6A—H6A0.9500C1E—H1E10.9800
O8A—C7A1.369 (3)C1E—H1E20.9800
C9A—O11A1.222 (4)C1E—H1E30.9800
C9A—O10A1.304 (3)C2E—N1E1.399 (8)
C9A—C7A1.479 (4)C2E—H2E10.9800
O1B—C3B1.228 (5)C2E—H2E20.9800
O2B—C3B1.261 (5)C2E—H2E30.9800
C3B—C4B1.479 (4)N1E—C3E1.285 (8)
C4B—C5B1.343 (5)C3E—O1E1.216 (8)
C4B—O8B1.366 (4)C3E—H3D0.9500
C5B—C6B1.419 (5)C1F—N1F1.429 (8)
C5B—H5B0.9500C1F—H1F10.9800
C6B—C7B1.351 (5)C1F—H1F20.9800
C6B—H6B0.9500C1F—H1F30.9800
C7B—O8B1.366 (3)C2F—N1F1.393 (9)
C7B—C9B1.482 (4)C2F—H2F10.9800
C9B—O11B1.247 (4)C2F—H2F20.9800
C9B—O10B1.272 (3)C2F—H2F30.9800
C1C—N1C1.405 (10)N1F—C3F1.293 (9)
C1C—H1C10.9800C3F—O1F1.218 (9)
C1C—H1C20.9800C3F—H3F0.9500
O1Ai—Zn1—O1A180.0N1C—C1C—H1C3109.5
O1Ai—Zn1—O11Bii84.67 (9)H1C1—C1C—H1C3109.5
O1A—Zn1—O11Bii95.33 (9)H1C2—C1C—H1C3109.5
O1Ai—Zn1—O11Biii95.33 (9)N1C—C2C—H2C1109.5
O1A—Zn1—O11Biii84.67 (9)N1C—C2C—H2C2109.5
O11Bii—Zn1—O11Biii180.0H2C1—C2C—H2C2109.5
O1Ai—Zn1—O10Aiv91.28 (8)N1C—C2C—H2C3109.5
O1A—Zn1—O10Aiv88.72 (8)H2C1—C2C—H2C3109.5
O11Bii—Zn1—O10Aiv91.77 (8)H2C2—C2C—H2C3109.5
O11Biii—Zn1—O10Aiv88.23 (8)C1C—N1C—C2C118.5 (7)
O1Ai—Zn1—O10Av88.72 (8)C1C—N1C—H1C4107.7
O1A—Zn1—O10Av91.28 (8)C2C—N1C—H1C4107.7
O11Bii—Zn1—O10Av88.23 (8)C1C—N1C—H1C5107.7
O11Biii—Zn1—O10Av91.77 (8)C2C—N1C—H1C5107.7
O10Aiv—Zn1—O10Av180.0H1C4—N1C—H1C5107.1
O10Bii—Zn2—O2A99.09 (10)N1D—C1D—H1D1109.5
O10Bii—Zn2—O2B97.84 (11)N1D—C1D—H1D2109.5
O2A—Zn2—O2B108.65 (10)H1D1—C1D—H1D2109.5
O10Bii—Zn2—O10Aiv107.14 (9)N1D—C1D—H1D3109.5
O2A—Zn2—O10Aiv106.03 (9)H1D1—C1D—H1D3109.5
O2B—Zn2—O10Aiv132.89 (10)H1D2—C1D—H1D3109.5
C3A—O1A—Zn1131.1 (2)N1D—C2D—H2D1109.5
C3A—O2A—Zn2125.26 (19)N1D—C2D—H2D2109.5
O1A—C3A—O2A127.5 (3)H2D1—C2D—H2D2109.5
O1A—C3A—C4A115.7 (3)N1D—C2D—H2D3109.5
O2A—C3A—C4A116.8 (3)H2D1—C2D—H2D3109.5
C5A—C4A—O8A110.8 (2)H2D2—C2D—H2D3109.5
C5A—C4A—C3A132.1 (3)C1D—N1D—C2D121 (2)
O8A—C4A—C3A117.1 (3)C1D—N1D—H1D4107.1
C4A—C5A—C6A106.3 (3)C2D—N1D—H1D4107.1
C4A—C5A—H5A126.9C1D—N1D—H1D5107.1
C6A—C5A—H5A126.9C2D—N1D—H1D5107.1
C7A—C6A—C5A106.2 (3)H1D4—N1D—H1D5106.8
C7A—C6A—H6A126.9N1E—C1E—H1E1109.5
C5A—C6A—H6A126.9N1E—C1E—H1E2109.5
C4A—O8A—C7A105.9 (2)H1E1—C1E—H1E2109.5
O11A—C9A—O10A122.2 (3)N1E—C1E—H1E3109.5
O11A—C9A—C7A121.5 (3)H1E1—C1E—H1E3109.5
O10A—C9A—C7A116.4 (3)H1E2—C1E—H1E3109.5
C6A—C7A—O8A110.8 (2)N1E—C2E—H2E1109.5
C6A—C7A—C9A133.4 (3)N1E—C2E—H2E2109.5
O8A—C7A—C9A115.9 (3)H2E1—C2E—H2E2109.5
C9A—O10A—Zn2vi101.42 (18)N1E—C2E—H2E3109.5
C9A—O10A—Zn1vi131.61 (18)H2E1—C2E—H2E3109.5
Zn2vi—O10A—Zn1vi103.56 (9)H2E2—C2E—H2E3109.5
C3B—O2B—Zn2102.2 (2)C3E—N1E—C2E114.8 (7)
O1B—C3B—O2B122.6 (3)C3E—N1E—C1E120.4 (6)
O1B—C3B—C4B119.4 (4)C2E—N1E—C1E120.0 (6)
O2B—C3B—C4B118.0 (4)O1E—C3E—N1E129.1 (8)
C5B—C4B—O8B111.0 (3)O1E—C3E—H3D115.4
C5B—C4B—C3B131.0 (4)N1E—C3E—H3D115.4
O8B—C4B—C3B117.9 (3)N1F—C1F—H1F1109.5
C4B—C5B—C6B106.0 (3)N1F—C1F—H1F2109.5
C4B—C5B—H5B127.0H1F1—C1F—H1F2109.5
C6B—C5B—H5B127.0N1F—C1F—H1F3109.5
C7B—C6B—C5B107.0 (3)H1F1—C1F—H1F3109.5
C7B—C6B—H6B126.5H1F2—C1F—H1F3109.5
C5B—C6B—H6B126.5N1F—C2F—H2F1109.5
C6B—C7B—O8B109.9 (3)N1F—C2F—H2F2109.5
C6B—C7B—C9B131.6 (3)H2F1—C2F—H2F2109.5
O8B—C7B—C9B118.5 (3)N1F—C2F—H2F3109.5
C4B—O8B—C7B106.1 (3)H2F1—C2F—H2F3109.5
O11B—C9B—O10B127.0 (3)H2F2—C2F—H2F3109.5
O11B—C9B—C7B119.2 (3)C3F—N1F—C2F120.7 (7)
O10B—C9B—C7B113.7 (3)C3F—N1F—C1F118.3 (9)
C9B—O10B—Zn2vii118.0 (2)C2F—N1F—C1F120.1 (8)
C9B—O11B—Zn1viii141.2 (2)O1F—C3F—N1F129.9 (11)
N1C—C1C—H1C1109.5O1F—C3F—H3F115.1
N1C—C1C—H1C2109.5N1F—C3F—H3F115.1
H1C1—C1C—H1C2109.5
Zn1—O1A—C3A—O2A27.3 (5)Zn2—O2B—C3B—C4B172.2 (2)
Zn1—O1A—C3A—C4A152.9 (2)O1B—C3B—C4B—C5B2.3 (6)
Zn2—O2A—C3A—O1A8.7 (5)O2B—C3B—C4B—C5B179.0 (4)
Zn2—O2A—C3A—C4A171.1 (2)O1B—C3B—C4B—O8B174.1 (3)
O1A—C3A—C4A—C5A16.0 (5)O2B—C3B—C4B—O8B4.6 (5)
O2A—C3A—C4A—C5A163.8 (3)O8B—C4B—C5B—C6B0.1 (4)
O1A—C3A—C4A—O8A162.4 (3)C3B—C4B—C5B—C6B176.7 (4)
O2A—C3A—C4A—O8A17.8 (4)C4B—C5B—C6B—C7B0.3 (5)
O8A—C4A—C5A—C6A0.8 (4)C5B—C6B—C7B—O8B0.4 (4)
C3A—C4A—C5A—C6A177.7 (3)C5B—C6B—C7B—C9B179.5 (3)
C4A—C5A—C6A—C7A0.4 (4)C5B—C4B—O8B—C7B0.1 (4)
C5A—C4A—O8A—C7A1.6 (3)C3B—C4B—O8B—C7B177.0 (3)
C3A—C4A—O8A—C7A177.1 (2)C6B—C7B—O8B—C4B0.3 (4)
C5A—C6A—C7A—O8A1.4 (4)C9B—C7B—O8B—C4B179.6 (3)
C5A—C6A—C7A—C9A177.6 (3)C6B—C7B—C9B—O11B175.9 (4)
C4A—O8A—C7A—C6A1.8 (3)O8B—C7B—C9B—O11B3.2 (4)
C4A—O8A—C7A—C9A177.3 (2)C6B—C7B—C9B—O10B2.6 (5)
O11A—C9A—C7A—C6A169.0 (3)O8B—C7B—C9B—O10B178.4 (3)
O10A—C9A—C7A—C6A9.7 (5)O11B—C9B—O10B—Zn2vii12.5 (4)
O11A—C9A—C7A—O8A12.1 (4)C7B—C9B—O10B—Zn2vii165.9 (2)
O10A—C9A—C7A—O8A169.3 (2)O10B—C9B—O11B—Zn1viii11.9 (5)
O11A—C9A—O10A—Zn2vi1.1 (3)C7B—C9B—O11B—Zn1viii169.9 (2)
C7A—C9A—O10A—Zn2vi177.5 (2)C2E—N1E—C3E—O1E161.5 (10)
O11A—C9A—O10A—Zn1vi118.8 (3)C1E—N1E—C3E—O1E6.1 (16)
C7A—C9A—O10A—Zn1vi62.5 (4)C2F—N1F—C3F—O1F170.2 (10)
Zn2—O2B—C3B—O1B6.5 (4)C1F—N1F—C3F—O1F1.4 (16)
Symmetry codes: (i) x+1, y+1, z+2; (ii) x, y+3/2, z+1/2; (iii) x+1, y1/2, z+3/2; (iv) x+1, y, z; (v) x, y+1, z+2; (vi) x1, y, z; (vii) x, y+3/2, z1/2; (viii) x+1, y+1/2, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1C(a)—H1C4(a)···O1E(a)0.911.982.867 (11)166
N1C(a)—H1C5(a)···O2B0.912.012.782 (9)142
N1D(b)—H1D4(b)···O1Bviii0.912.162.81 (3)127
N1D(b)—H1D5(b)···O2B0.912.463.07 (3)124
N1D(b)—H1D5(b)···O10Bii0.912.383.10 (3)136
Symmetry codes: (ii) x, y+3/2, z+1/2; (viii) x+1, y+1/2, z+3/2.
 

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