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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-κO2:κO2′:κO5:κO5)bis(μ3-furan-2,5-dicarboxylato-κO2:κO2′:κO5)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
CCDC references: 1877433; 1877432
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(µ
2-furan-2,5-dicarboxylato-
κ2O2:
O5)dizinc(II)]] (1)
top
Crystal data top
(C2H8N)4[Zn2(C6H2O5)4] | F(000) = 3840 |
Mr = 931.42 | Dx = 1.571 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 23.9306 (6) Å | Cell parameters from 10240 reflections |
b = 23.9322 (6) Å | θ = 2.5–32.4° |
c = 14.9917 (4) Å | µ = 1.31 mm−1 |
β = 113.4847 (4)° | T = 150 K |
V = 7874.7 (4) Å3 | Plate, colourless |
Z = 8 | 0.26 × 0.17 × 0.04 mm |
Data collection top
Bruker SMART APEXII CCD diffractometer | 12993 independent reflections |
Radiation source: sealed tube | 5280 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.044 |
Detector resolution: 8.333 pixels mm-1 | θmax = 31.5°, θmin = 1.6° |
φ and ω scans | h = −35→34 |
Absorption correction: analytical (XPREP; Bruker, 2010) | k = −35→34 |
Tmin = 0.775, Tmax = 0.949 | l = −22→21 |
52443 measured reflections | |
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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.065 | H-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 parameters | Δρmax = 1.26 e Å−3 |
0 restraints | Δρmin = −0.44 e Å−3 |
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 | x | y | z | Uiso*/Ueq | |
Zn1 | 0.24880 (2) | 0.31244 (2) | 0.25004 (2) | 0.01282 (12) | |
Zn2 | 0.500000 | 0.06399 (2) | 0.250000 | 0.01318 (14) | |
Zn3 | 0.000000 | 0.06171 (2) | 0.250000 | 0.01309 (14) | |
O1A | 0.32094 (11) | 0.26434 (9) | 0.31546 (18) | 0.0176 (6) | |
O2A | 0.36043 (9) | 0.33271 (7) | 0.42596 (15) | 0.0211 (5) | |
C3A | 0.36384 (13) | 0.28761 (11) | 0.3874 (2) | 0.0166 (6) | |
C4A | 0.42328 (13) | 0.25774 (11) | 0.4273 (2) | 0.0164 (6) | |
C5A | 0.47709 (16) | 0.27004 (13) | 0.5022 (3) | 0.0176 (9) | |
H5A | 0.485086 | 0.300598 | 0.545988 | 0.021* | |
C6A | 0.51892 (16) | 0.22800 (13) | 0.5017 (3) | 0.0181 (8) | |
H6A | 0.560478 | 0.225050 | 0.545211 | 0.022* | |
C7A | 0.48822 (12) | 0.19301 (11) | 0.4274 (2) | 0.0167 (6) | |
O8A | 0.42898 (8) | 0.21053 (7) | 0.38013 (14) | 0.0160 (4) | |
C9A | 0.50788 (13) | 0.14334 (11) | 0.3874 (2) | 0.0162 (6) | |
O10A | 0.56281 (8) | 0.13080 (8) | 0.42544 (15) | 0.0215 (5) | |
O11A | 0.46652 (10) | 0.11781 (9) | 0.31633 (18) | 0.0176 (5) | |
O1B | 0.18488 (11) | 0.25644 (9) | 0.18466 (19) | 0.0186 (6) | |
C3B | 0.19016 (12) | 0.23112 (11) | 0.1131 (2) | 0.0166 (6) | |
O2B | 0.22561 (9) | 0.24406 (8) | 0.07421 (15) | 0.0213 (5) | |
C4B | 0.15024 (12) | 0.18164 (11) | 0.0733 (2) | 0.0170 (6) | |
C5B | 0.14337 (16) | 0.14663 (14) | −0.0019 (3) | 0.0188 (8) | |
H5B | 0.163139 | 0.149376 | −0.045539 | 0.023* | |
C6B | 0.10090 (15) | 0.10527 (13) | −0.0023 (3) | 0.0171 (8) | |
H6B | 0.086758 | 0.074710 | −0.046045 | 0.021* | |
C7B | 0.08430 (12) | 0.11797 (11) | 0.0725 (2) | 0.0164 (6) | |
O8B | 0.11411 (8) | 0.16479 (7) | 0.11989 (13) | 0.0160 (4) | |
C9B | 0.04462 (12) | 0.08835 (11) | 0.1127 (2) | 0.0168 (6) | |
O10B | 0.02234 (9) | 0.04302 (7) | 0.07451 (15) | 0.0213 (5) | |
O11B | 0.03711 (10) | 0.11202 (9) | 0.18358 (18) | 0.0177 (5) | |
O1C | 0.20893 (11) | 0.36058 (9) | 0.31454 (18) | 0.0188 (6) | |
O2C | 0.22469 (9) | 0.29314 (8) | 0.42659 (15) | 0.0213 (5) | |
C3C | 0.20188 (12) | 0.33804 (11) | 0.3867 (2) | 0.0162 (6) | |
C4C | 0.16255 (12) | 0.36865 (11) | 0.4266 (2) | 0.0163 (6) | |
C5C | 0.14619 (16) | 0.35700 (14) | 0.5016 (3) | 0.0183 (8) | |
H5C | 0.159552 | 0.326314 | 0.545258 | 0.022* | |
C6C | 0.10528 (15) | 0.39969 (13) | 0.5018 (3) | 0.0179 (8) | |
H6C | 0.085703 | 0.403148 | 0.545629 | 0.021* | |
C7C | 0.09941 (12) | 0.43480 (11) | 0.4272 (2) | 0.0159 (6) | |
O8C | 0.13433 (8) | 0.41634 (7) | 0.37979 (13) | 0.0158 (4) | |
C9C | 0.06028 (12) | 0.48445 (11) | 0.3870 (2) | 0.0165 (6) | |
O10C | 0.02389 (9) | 0.49740 (8) | 0.42431 (15) | 0.0214 (5) | |
O11C | 0.06656 (11) | 0.50992 (9) | 0.31622 (19) | 0.0178 (6) | |
O1D | 0.28125 (10) | 0.36821 (9) | 0.18571 (18) | 0.0185 (6) | |
C3D | 0.24070 (13) | 0.39302 (11) | 0.1133 (2) | 0.0165 (6) | |
O2D | 0.18587 (8) | 0.37994 (8) | 0.07375 (15) | 0.0210 (5) | |
C4D | 0.26107 (12) | 0.44224 (11) | 0.0734 (2) | 0.0159 (6) | |
C5D | 0.23017 (16) | 0.47734 (13) | −0.0017 (3) | 0.0173 (8) | |
H5D | 0.188708 | 0.474397 | −0.045697 | 0.021* | |
C6D | 0.27237 (16) | 0.51919 (13) | −0.0011 (3) | 0.0177 (9) | |
H6D | 0.264607 | 0.550001 | −0.044383 | 0.021* | |
C7D | 0.32608 (13) | 0.50652 (11) | 0.0735 (2) | 0.0165 (6) | |
O8D | 0.31999 (8) | 0.45926 (7) | 0.12017 (13) | 0.0153 (4) | |
C9D | 0.38583 (13) | 0.53592 (11) | 0.1130 (2) | 0.0165 (6) | |
O10D | 0.38926 (9) | 0.58145 (8) | 0.07567 (15) | 0.0216 (5) | |
O11D | 0.42923 (10) | 0.51187 (9) | 0.18375 (19) | 0.0178 (6) | |
C1E | 0.32221 (16) | 0.14937 (15) | 0.1656 (3) | 0.0257 (9) | |
H1E1 | 0.358150 | 0.126574 | 0.201973 | 0.038* | |
H1E2 | 0.287987 | 0.124920 | 0.128418 | 0.038* | |
H1E3 | 0.311515 | 0.171838 | 0.211199 | 0.038* | |
N2E | 0.33578 (13) | 0.18674 (11) | 0.0983 (2) | 0.0193 (7) | |
H2E1 | 0.348550 | 0.165868 | 0.059260 | 0.023* | |
H2E2 | 0.301092 | 0.204816 | 0.059731 | 0.023* | |
C3E | 0.38312 (16) | 0.22839 (15) | 0.1506 (3) | 0.0252 (8) | |
H3E1 | 0.367438 | 0.254108 | 0.186059 | 0.038* | |
H3E2 | 0.394019 | 0.249453 | 0.103844 | 0.038* | |
H3E3 | 0.419285 | 0.209216 | 0.196734 | 0.038* | |
C1F | 0.19098 (17) | 0.15395 (14) | 0.3494 (3) | 0.0252 (8) | |
H1F1 | 0.160755 | 0.127816 | 0.306204 | 0.038* | |
H1F2 | 0.225145 | 0.132946 | 0.396575 | 0.038* | |
H1F3 | 0.205876 | 0.178139 | 0.310871 | 0.038* | |
N2F | 0.16249 (13) | 0.18862 (11) | 0.4017 (2) | 0.0194 (7) | |
H2F1 | 0.151704 | 0.166340 | 0.441400 | 0.023* | |
H2F2 | 0.190199 | 0.213895 | 0.439581 | 0.023* | |
C3F | 0.10794 (16) | 0.21866 (15) | 0.3343 (3) | 0.0268 (9) | |
H3F1 | 0.118827 | 0.241011 | 0.288792 | 0.040* | |
H3F2 | 0.092500 | 0.243299 | 0.371525 | 0.040* | |
H3F3 | 0.076364 | 0.191574 | 0.297866 | 0.040* | |
C1G | 0.06561 (17) | 0.39711 (14) | 0.1503 (3) | 0.0247 (8) | |
H1G1 | 0.098884 | 0.372030 | 0.188734 | 0.037* | |
H1G2 | 0.032326 | 0.375233 | 0.103107 | 0.037* | |
H1G3 | 0.050727 | 0.417024 | 0.193670 | 0.037* | |
N2G | 0.08809 (13) | 0.43795 (11) | 0.0982 (2) | 0.0196 (7) | |
H2G1 | 0.056321 | 0.459043 | 0.058354 | 0.024* | |
H2G2 | 0.103720 | 0.419249 | 0.060536 | 0.024* | |
C3G | 0.13557 (16) | 0.47515 (15) | 0.1660 (3) | 0.0257 (8) | |
H3G1 | 0.117722 | 0.498372 | 0.201724 | 0.039* | |
H3G2 | 0.151789 | 0.499194 | 0.129023 | 0.039* | |
H3G3 | 0.168593 | 0.452498 | 0.212053 | 0.039* | |
C1H | 0.43391 (17) | 0.40512 (15) | 0.3345 (3) | 0.0261 (9) | |
H1H1 | 0.399976 | 0.382748 | 0.289924 | 0.039* | |
H1H2 | 0.467880 | 0.380428 | 0.371829 | 0.039* | |
H1H3 | 0.447177 | 0.431672 | 0.297140 | 0.039* | |
N2H | 0.41381 (13) | 0.43612 (11) | 0.4020 (2) | 0.0192 (7) | |
H2H1 | 0.444773 | 0.458312 | 0.441111 | 0.023* | |
H2H2 | 0.404941 | 0.411359 | 0.440596 | 0.023* | |
C3H | 0.35951 (16) | 0.47112 (15) | 0.3494 (3) | 0.0246 (8) | |
H3H1 | 0.367924 | 0.496037 | 0.304400 | 0.037* | |
H3H2 | 0.349898 | 0.493448 | 0.396285 | 0.037* | |
H3H3 | 0.324798 | 0.447025 | 0.312843 | 0.037* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Zn1 | 0.0119 (3) | 0.0113 (2) | 0.0161 (4) | −0.00009 (11) | 0.0065 (3) | −0.00020 (12) |
Zn2 | 0.0122 (3) | 0.0110 (3) | 0.0177 (4) | 0.000 | 0.0073 (3) | 0.000 |
Zn3 | 0.0121 (3) | 0.0108 (3) | 0.0174 (4) | 0.000 | 0.0069 (3) | 0.000 |
O1A | 0.0158 (13) | 0.0173 (11) | 0.0173 (16) | 0.0038 (10) | 0.0039 (12) | −0.0032 (10) |
O2A | 0.0262 (11) | 0.0156 (9) | 0.0248 (13) | 0.0004 (8) | 0.0137 (10) | −0.0049 (9) |
C3A | 0.0186 (15) | 0.0154 (13) | 0.0182 (16) | 0.0004 (11) | 0.0099 (13) | 0.0023 (11) |
C4A | 0.0204 (15) | 0.0134 (13) | 0.0179 (17) | −0.0005 (11) | 0.0102 (13) | −0.0019 (11) |
C5A | 0.019 (2) | 0.0145 (17) | 0.019 (2) | −0.0036 (14) | 0.0070 (18) | −0.0054 (15) |
C6A | 0.0119 (19) | 0.0212 (18) | 0.017 (2) | −0.0014 (14) | 0.0013 (16) | 0.0006 (15) |
C7A | 0.0135 (14) | 0.0168 (13) | 0.0187 (17) | 0.0017 (11) | 0.0052 (12) | 0.0028 (12) |
O8A | 0.0136 (10) | 0.0165 (9) | 0.0164 (11) | 0.0010 (8) | 0.0043 (8) | −0.0027 (8) |
C9A | 0.0158 (14) | 0.0171 (13) | 0.0171 (16) | 0.0006 (11) | 0.0080 (12) | 0.0030 (12) |
O10A | 0.0132 (10) | 0.0233 (10) | 0.0271 (13) | 0.0033 (8) | 0.0073 (9) | 0.0024 (9) |
O11A | 0.0150 (12) | 0.0182 (11) | 0.0173 (15) | 0.0041 (9) | 0.0041 (10) | −0.0038 (10) |
O1B | 0.0194 (14) | 0.0202 (11) | 0.0186 (16) | −0.0073 (10) | 0.0102 (12) | −0.0038 (10) |
C3B | 0.0139 (14) | 0.0182 (13) | 0.0176 (16) | 0.0032 (11) | 0.0062 (12) | 0.0041 (11) |
O2B | 0.0191 (11) | 0.0245 (10) | 0.0249 (13) | 0.0006 (8) | 0.0134 (9) | 0.0043 (9) |
C4B | 0.0146 (14) | 0.0186 (13) | 0.0197 (17) | 0.0013 (11) | 0.0088 (12) | 0.0039 (11) |
C5B | 0.0238 (19) | 0.0216 (16) | 0.015 (2) | 0.0059 (14) | 0.0118 (16) | −0.0015 (14) |
C6B | 0.0174 (17) | 0.0120 (15) | 0.022 (2) | −0.0042 (13) | 0.0084 (16) | −0.0025 (14) |
C7B | 0.0149 (14) | 0.0142 (13) | 0.0183 (17) | −0.0007 (11) | 0.0045 (12) | −0.0007 (11) |
O8B | 0.0170 (10) | 0.0154 (9) | 0.0179 (11) | −0.0028 (8) | 0.0095 (9) | −0.0022 (8) |
C9B | 0.0136 (14) | 0.0157 (13) | 0.0194 (16) | 0.0000 (11) | 0.0049 (12) | 0.0008 (11) |
O10B | 0.0215 (11) | 0.0145 (9) | 0.0264 (13) | −0.0039 (8) | 0.0079 (10) | −0.0036 (8) |
O11B | 0.0206 (12) | 0.0172 (11) | 0.0184 (15) | −0.0064 (9) | 0.0109 (11) | −0.0033 (10) |
O1C | 0.0224 (13) | 0.0182 (11) | 0.0180 (15) | 0.0077 (9) | 0.0104 (11) | 0.0032 (10) |
O2C | 0.0211 (11) | 0.0157 (10) | 0.0242 (12) | 0.0029 (8) | 0.0059 (9) | 0.0032 (8) |
C3C | 0.0143 (13) | 0.0140 (13) | 0.0163 (16) | −0.0021 (11) | 0.0020 (12) | −0.0012 (11) |
C4C | 0.0160 (14) | 0.0134 (13) | 0.0182 (16) | 0.0012 (11) | 0.0054 (12) | 0.0017 (11) |
C5C | 0.0218 (18) | 0.0189 (15) | 0.014 (2) | −0.0035 (13) | 0.0066 (15) | 0.0061 (14) |
C6C | 0.0159 (17) | 0.0192 (15) | 0.022 (2) | 0.0023 (13) | 0.0112 (16) | 0.0000 (14) |
C7C | 0.0172 (14) | 0.0163 (13) | 0.0161 (16) | −0.0014 (11) | 0.0087 (12) | −0.0015 (11) |
O8C | 0.0170 (10) | 0.0157 (9) | 0.0157 (11) | 0.0032 (8) | 0.0076 (9) | 0.0017 (8) |
C9C | 0.0150 (14) | 0.0179 (13) | 0.0160 (16) | −0.0010 (11) | 0.0057 (12) | −0.0038 (11) |
O10C | 0.0197 (11) | 0.0224 (10) | 0.0267 (13) | 0.0014 (8) | 0.0141 (10) | −0.0032 (9) |
O11C | 0.0213 (14) | 0.0167 (11) | 0.0180 (16) | 0.0059 (10) | 0.0105 (12) | 0.0034 (10) |
O1D | 0.0154 (12) | 0.0194 (11) | 0.0178 (15) | −0.0045 (9) | 0.0036 (11) | 0.0042 (10) |
C3D | 0.0147 (14) | 0.0163 (13) | 0.0191 (17) | −0.0003 (11) | 0.0076 (12) | −0.0029 (12) |
O2D | 0.0137 (10) | 0.0242 (10) | 0.0242 (13) | −0.0034 (8) | 0.0065 (9) | −0.0036 (9) |
C4D | 0.0120 (13) | 0.0169 (13) | 0.0177 (16) | −0.0012 (11) | 0.0047 (12) | −0.0011 (11) |
C5D | 0.0122 (19) | 0.0197 (18) | 0.017 (2) | 0.0021 (14) | 0.0031 (17) | 0.0001 (15) |
C6D | 0.020 (2) | 0.0152 (17) | 0.017 (2) | 0.0038 (14) | 0.0064 (17) | 0.0050 (15) |
C7D | 0.0171 (14) | 0.0144 (13) | 0.0194 (17) | 0.0010 (11) | 0.0086 (13) | 0.0023 (11) |
O8D | 0.0136 (10) | 0.0151 (9) | 0.0156 (11) | −0.0011 (7) | 0.0042 (8) | 0.0026 (8) |
C9D | 0.0207 (15) | 0.0149 (13) | 0.0170 (16) | 0.0007 (11) | 0.0107 (13) | −0.0011 (11) |
O10D | 0.0253 (11) | 0.0160 (9) | 0.0259 (13) | −0.0012 (8) | 0.0125 (10) | 0.0038 (8) |
O11D | 0.0154 (13) | 0.0181 (11) | 0.0172 (16) | −0.0033 (9) | 0.0035 (11) | 0.0039 (10) |
C1E | 0.0225 (18) | 0.0271 (18) | 0.028 (2) | −0.0007 (14) | 0.0102 (16) | 0.0022 (15) |
N2E | 0.0186 (17) | 0.0209 (16) | 0.017 (2) | 0.0052 (13) | 0.0052 (15) | −0.0013 (14) |
C3E | 0.0245 (18) | 0.0284 (17) | 0.023 (2) | −0.0027 (14) | 0.0096 (15) | −0.0021 (14) |
C1F | 0.0285 (19) | 0.0240 (17) | 0.022 (2) | 0.0018 (14) | 0.0094 (16) | 0.0015 (14) |
N2F | 0.0216 (18) | 0.0213 (16) | 0.015 (2) | −0.0058 (13) | 0.0070 (15) | −0.0004 (14) |
C3F | 0.0244 (19) | 0.0250 (17) | 0.031 (2) | 0.0029 (14) | 0.0104 (16) | 0.0013 (15) |
C1G | 0.0240 (18) | 0.0289 (18) | 0.021 (2) | −0.0015 (14) | 0.0085 (15) | 0.0012 (14) |
N2G | 0.0217 (18) | 0.0227 (16) | 0.015 (2) | 0.0080 (13) | 0.0075 (15) | 0.0023 (14) |
C3G | 0.0256 (19) | 0.0250 (16) | 0.027 (2) | −0.0025 (14) | 0.0110 (16) | −0.0006 (14) |
C1H | 0.0277 (19) | 0.0246 (17) | 0.029 (2) | 0.0022 (14) | 0.0143 (17) | −0.0003 (15) |
N2H | 0.0197 (17) | 0.0202 (16) | 0.016 (2) | −0.0052 (13) | 0.0049 (15) | 0.0014 (13) |
C3H | 0.0255 (19) | 0.0252 (16) | 0.0212 (19) | 0.0014 (14) | 0.0075 (15) | 0.0000 (14) |
Geometric parameters (Å, º) top
Zn1—O1B | 1.975 (2) | C3D—O2D | 1.245 (3) |
Zn1—O1C | 1.977 (2) | C3D—C4D | 1.488 (4) |
Zn1—O1D | 1.978 (2) | C4D—C5D | 1.363 (4) |
Zn1—O1A | 1.979 (2) | C4D—O8D | 1.363 (3) |
Zn2—O11A | 1.981 (2) | C5D—C6D | 1.420 (5) |
Zn2—O11Ai | 1.981 (2) | C5D—H5D | 0.9500 |
Zn2—O11Cii | 1.984 (2) | C6D—C7D | 1.360 (5) |
Zn2—O11Ciii | 1.984 (2) | C6D—H6D | 0.9500 |
Zn3—O11Biv | 1.984 (2) | C7D—O8D | 1.368 (3) |
Zn3—O11B | 1.984 (2) | C7D—C9D | 1.488 (4) |
Zn3—O11Dv | 1.984 (2) | C9D—O10D | 1.242 (3) |
Zn3—O11Dii | 1.984 (2) | C9D—O11D | 1.287 (4) |
O1A—C3A | 1.282 (4) | C1E—N2E | 1.478 (4) |
O2A—C3A | 1.243 (3) | C1E—H1E1 | 0.9800 |
C3A—C4A | 1.488 (4) | C1E—H1E2 | 0.9800 |
C4A—C5A | 1.361 (5) | C1E—H1E3 | 0.9800 |
C4A—O8A | 1.369 (3) | N2E—C3E | 1.478 (4) |
C5A—C6A | 1.421 (5) | N2E—H2E1 | 0.9100 |
C5A—H5A | 0.9500 | N2E—H2E2 | 0.9100 |
C6A—C7A | 1.352 (4) | C3E—H3E1 | 0.9800 |
C6A—H6A | 0.9500 | C3E—H3E2 | 0.9800 |
C7A—O8A | 1.374 (3) | C3E—H3E3 | 0.9800 |
C7A—C9A | 1.490 (4) | C1F—N2F | 1.481 (4) |
C9A—O10A | 1.243 (3) | C1F—H1F1 | 0.9800 |
C9A—O11A | 1.284 (4) | C1F—H1F2 | 0.9800 |
O1B—C3B | 1.282 (4) | C1F—H1F3 | 0.9800 |
C3B—O2B | 1.244 (3) | N2F—C3F | 1.480 (4) |
C3B—C4B | 1.489 (4) | N2F—H2F1 | 0.9100 |
C4B—C5B | 1.361 (4) | N2F—H2F2 | 0.9100 |
C4B—O8B | 1.371 (3) | C3F—H3F1 | 0.9800 |
C5B—C6B | 1.417 (3) | C3F—H3F2 | 0.9800 |
C5B—H5B | 0.9500 | C3F—H3F3 | 0.9800 |
C6B—C7B | 1.364 (4) | C1G—N2G | 1.480 (4) |
C6B—H6B | 0.9500 | C1G—H1G1 | 0.9800 |
C7B—O8B | 1.366 (3) | C1G—H1G2 | 0.9800 |
C7B—C9B | 1.491 (4) | C1G—H1G3 | 0.9800 |
C9B—O10B | 1.243 (3) | N2G—C3G | 1.482 (4) |
C9B—O11B | 1.279 (4) | N2G—H2G1 | 0.9100 |
O1C—C3C | 1.279 (4) | N2G—H2G2 | 0.9100 |
O2C—C3C | 1.245 (3) | C3G—H3G1 | 0.9800 |
C3C—C4C | 1.492 (4) | C3G—H3G2 | 0.9800 |
C4C—C5C | 1.360 (4) | C3G—H3G3 | 0.9800 |
C4C—O8C | 1.369 (3) | C1H—N2H | 1.482 (4) |
C5C—C6C | 1.416 (3) | C1H—H1H1 | 0.9800 |
C5C—H5C | 0.9500 | C1H—H1H2 | 0.9800 |
C6C—C7C | 1.361 (4) | C1H—H1H3 | 0.9800 |
C6C—H6C | 0.9500 | N2H—C3H | 1.482 (4) |
C7C—O8C | 1.369 (3) | N2H—H2H1 | 0.9100 |
C7C—C9C | 1.484 (4) | N2H—H2H2 | 0.9100 |
C9C—O10C | 1.247 (3) | C3H—H3H1 | 0.9800 |
C9C—O11C | 1.284 (4) | C3H—H3H2 | 0.9800 |
O1D—C3D | 1.278 (4) | C3H—H3H3 | 0.9800 |
| | | |
O1B—Zn1—O1C | 102.05 (10) | O8D—C4D—C3D | 117.9 (2) |
O1B—Zn1—O1D | 126.36 (10) | C4D—C5D—C6D | 106.2 (3) |
O1C—Zn1—O1D | 101.83 (11) | C4D—C5D—H5D | 126.9 |
O1B—Zn1—O1A | 101.62 (11) | C6D—C5D—H5D | 126.9 |
O1C—Zn1—O1A | 126.31 (10) | C7D—C6D—C5D | 106.5 (3) |
O1D—Zn1—O1A | 101.52 (10) | C7D—C6D—H6D | 126.7 |
O11A—Zn2—O11Ai | 98.89 (14) | C5D—C6D—H6D | 126.7 |
O11A—Zn2—O11Cii | 105.70 (9) | C6D—C7D—O8D | 110.3 (2) |
O11Ai—Zn2—O11Cii | 125.27 (10) | C6D—C7D—C9D | 131.7 (3) |
O11A—Zn2—O11Ciii | 125.27 (10) | O8D—C7D—C9D | 117.9 (2) |
O11Ai—Zn2—O11Ciii | 105.70 (9) | C4D—O8D—C7D | 106.5 (2) |
O11Cii—Zn2—O11Ciii | 98.59 (13) | O10D—C9D—O11D | 125.9 (3) |
O11Biv—Zn3—O11B | 105.24 (13) | O10D—C9D—C7D | 117.4 (3) |
O11Biv—Zn3—O11Dv | 98.78 (10) | O11D—C9D—C7D | 116.7 (2) |
O11B—Zn3—O11Dv | 125.25 (10) | C9D—O11D—Zn3vii | 113.03 (17) |
O11Biv—Zn3—O11Dii | 125.25 (10) | N2E—C1E—H1E1 | 109.5 |
O11B—Zn3—O11Dii | 98.78 (10) | N2E—C1E—H1E2 | 109.5 |
O11Dv—Zn3—O11Dii | 106.10 (13) | H1E1—C1E—H1E2 | 109.5 |
C3A—O1A—Zn1 | 114.34 (18) | N2E—C1E—H1E3 | 109.5 |
O2A—C3A—O1A | 126.1 (3) | H1E1—C1E—H1E3 | 109.5 |
O2A—C3A—C4A | 117.4 (3) | H1E2—C1E—H1E3 | 109.5 |
O1A—C3A—C4A | 116.5 (2) | C3E—N2E—C1E | 112.1 (3) |
C5A—C4A—O8A | 110.4 (2) | C3E—N2E—H2E1 | 109.2 |
C5A—C4A—C3A | 131.8 (3) | C1E—N2E—H2E1 | 109.2 |
O8A—C4A—C3A | 117.7 (3) | C3E—N2E—H2E2 | 109.2 |
C4A—C5A—C6A | 106.2 (3) | C1E—N2E—H2E2 | 109.2 |
C4A—C5A—H5A | 126.9 | H2E1—N2E—H2E2 | 107.9 |
C6A—C5A—H5A | 126.9 | N2E—C3E—H3E1 | 109.5 |
C7A—C6A—C5A | 106.9 (3) | N2E—C3E—H3E2 | 109.5 |
C7A—C6A—H6A | 126.6 | H3E1—C3E—H3E2 | 109.5 |
C5A—C6A—H6A | 126.6 | N2E—C3E—H3E3 | 109.5 |
C6A—C7A—O8A | 110.3 (2) | H3E1—C3E—H3E3 | 109.5 |
C6A—C7A—C9A | 132.1 (3) | H3E2—C3E—H3E3 | 109.5 |
O8A—C7A—C9A | 117.5 (3) | N2F—C1F—H1F1 | 109.5 |
C4A—O8A—C7A | 106.3 (2) | N2F—C1F—H1F2 | 109.5 |
O10A—C9A—O11A | 126.2 (3) | H1F1—C1F—H1F2 | 109.5 |
O10A—C9A—C7A | 117.0 (3) | N2F—C1F—H1F3 | 109.5 |
O11A—C9A—C7A | 116.8 (2) | H1F1—C1F—H1F3 | 109.5 |
C9A—O11A—Zn2 | 113.20 (18) | H1F2—C1F—H1F3 | 109.5 |
C3B—O1B—Zn1 | 114.89 (18) | C3F—N2F—C1F | 112.2 (3) |
O2B—C3B—O1B | 126.0 (3) | C3F—N2F—H2F1 | 109.2 |
O2B—C3B—C4B | 117.3 (3) | C1F—N2F—H2F1 | 109.2 |
O1B—C3B—C4B | 116.7 (2) | C3F—N2F—H2F2 | 109.2 |
C5B—C4B—O8B | 110.4 (2) | C1F—N2F—H2F2 | 109.2 |
C5B—C4B—C3B | 131.9 (3) | H2F1—N2F—H2F2 | 107.9 |
O8B—C4B—C3B | 117.6 (2) | N2F—C3F—H3F1 | 109.5 |
C4B—C5B—C6B | 106.5 (2) | N2F—C3F—H3F2 | 109.5 |
C4B—C5B—H5B | 126.8 | H3F1—C3F—H3F2 | 109.5 |
C6B—C5B—H5B | 126.8 | N2F—C3F—H3F3 | 109.5 |
C7B—C6B—C5B | 106.5 (2) | H3F1—C3F—H3F3 | 109.5 |
C7B—C6B—H6B | 126.7 | H3F2—C3F—H3F3 | 109.5 |
C5B—C6B—H6B | 126.7 | N2G—C1G—H1G1 | 109.5 |
C6B—C7B—O8B | 110.4 (2) | N2G—C1G—H1G2 | 109.5 |
C6B—C7B—C9B | 131.8 (3) | H1G1—C1G—H1G2 | 109.5 |
O8B—C7B—C9B | 117.6 (2) | N2G—C1G—H1G3 | 109.5 |
C7B—O8B—C4B | 106.3 (2) | H1G1—C1G—H1G3 | 109.5 |
O10B—C9B—O11B | 126.3 (3) | H1G2—C1G—H1G3 | 109.5 |
O10B—C9B—C7B | 117.0 (3) | C1G—N2G—C3G | 112.1 (3) |
O11B—C9B—C7B | 116.7 (2) | C1G—N2G—H2G1 | 109.2 |
C9B—O11B—Zn3 | 112.81 (18) | C3G—N2G—H2G1 | 109.2 |
C3C—O1C—Zn1 | 114.84 (18) | C1G—N2G—H2G2 | 109.2 |
O2C—C3C—O1C | 126.1 (3) | C3G—N2G—H2G2 | 109.2 |
O2C—C3C—C4C | 117.2 (3) | H2G1—N2G—H2G2 | 107.9 |
O1C—C3C—C4C | 116.7 (2) | N2G—C3G—H3G1 | 109.5 |
C5C—C4C—O8C | 110.4 (2) | N2G—C3G—H3G2 | 109.5 |
C5C—C4C—C3C | 131.8 (3) | H3G1—C3G—H3G2 | 109.5 |
O8C—C4C—C3C | 117.7 (2) | N2G—C3G—H3G3 | 109.5 |
C4C—C5C—C6C | 106.3 (2) | H3G1—C3G—H3G3 | 109.5 |
C4C—C5C—H5C | 126.8 | H3G2—C3G—H3G3 | 109.5 |
C6C—C5C—H5C | 126.8 | N2H—C1H—H1H1 | 109.5 |
C7C—C6C—C5C | 106.8 (2) | N2H—C1H—H1H2 | 109.5 |
C7C—C6C—H6C | 126.6 | H1H1—C1H—H1H2 | 109.5 |
C5C—C6C—H6C | 126.6 | N2H—C1H—H1H3 | 109.5 |
C6C—C7C—O8C | 110.1 (2) | H1H1—C1H—H1H3 | 109.5 |
C6C—C7C—C9C | 132.1 (3) | H1H2—C1H—H1H3 | 109.5 |
O8C—C7C—C9C | 117.7 (2) | C1H—N2H—C3H | 112.0 (3) |
C4C—O8C—C7C | 106.4 (2) | C1H—N2H—H2H1 | 109.2 |
O10C—C9C—O11C | 125.8 (3) | C3H—N2H—H2H1 | 109.2 |
O10C—C9C—C7C | 117.2 (3) | C1H—N2H—H2H2 | 109.2 |
O11C—C9C—C7C | 117.0 (2) | C3H—N2H—H2H2 | 109.2 |
C9C—O11C—Zn2vi | 112.85 (18) | H2H1—N2H—H2H2 | 107.9 |
C3D—O1D—Zn1 | 114.53 (18) | N2H—C3H—H3H1 | 109.5 |
O2D—C3D—O1D | 125.9 (3) | N2H—C3H—H3H2 | 109.5 |
O2D—C3D—C4D | 117.3 (3) | H3H1—C3H—H3H2 | 109.5 |
O1D—C3D—C4D | 116.7 (2) | N2H—C3H—H3H3 | 109.5 |
C5D—C4D—O8D | 110.5 (2) | H3H1—C3H—H3H3 | 109.5 |
C5D—C4D—C3D | 131.5 (3) | H3H2—C3H—H3H3 | 109.5 |
| | | |
Zn1—O1A—C3A—O2A | 10.5 (4) | Zn1—O1C—C3C—O2C | 10.4 (4) |
Zn1—O1A—C3A—C4A | −168.86 (18) | Zn1—O1C—C3C—C4C | −169.57 (18) |
O2A—C3A—C4A—C5A | 1.2 (5) | O2C—C3C—C4C—C5C | 0.6 (5) |
O1A—C3A—C4A—C5A | −179.4 (3) | O1C—C3C—C4C—C5C | −179.5 (3) |
O2A—C3A—C4A—O8A | −174.6 (2) | O2C—C3C—C4C—O8C | −176.2 (2) |
O1A—C3A—C4A—O8A | 4.9 (4) | O1C—C3C—C4C—O8C | 3.8 (4) |
O8A—C4A—C5A—C6A | 0.0 (4) | O8C—C4C—C5C—C6C | 0.2 (3) |
C3A—C4A—C5A—C6A | −176.0 (3) | C3C—C4C—C5C—C6C | −176.8 (3) |
C4A—C5A—C6A—C7A | −0.1 (4) | C4C—C5C—C6C—C7C | −0.2 (3) |
C5A—C6A—C7A—O8A | 0.2 (4) | C5C—C6C—C7C—O8C | 0.2 (3) |
C5A—C6A—C7A—C9A | 176.4 (3) | C5C—C6C—C7C—C9C | 175.3 (3) |
C5A—C4A—O8A—C7A | 0.1 (3) | C5C—C4C—O8C—C7C | 0.0 (3) |
C3A—C4A—O8A—C7A | 176.7 (2) | C3C—C4C—O8C—C7C | 177.4 (2) |
C6A—C7A—O8A—C4A | −0.2 (3) | C6C—C7C—O8C—C4C | −0.1 (3) |
C9A—C7A—O8A—C4A | −177.0 (2) | C9C—C7C—O8C—C4C | −176.0 (2) |
C6A—C7A—C9A—O10A | −2.1 (5) | C6C—C7C—C9C—O10C | −2.2 (5) |
O8A—C7A—C9A—O10A | 173.8 (2) | O8C—C7C—C9C—O10C | 172.6 (2) |
C6A—C7A—C9A—O11A | 178.4 (3) | C6C—C7C—C9C—O11C | 178.4 (3) |
O8A—C7A—C9A—O11A | −5.6 (4) | O8C—C7C—C9C—O11C | −6.8 (4) |
O10A—C9A—O11A—Zn2 | −12.5 (4) | O10C—C9C—O11C—Zn2vi | −12.3 (4) |
C7A—C9A—O11A—Zn2 | 166.93 (18) | C7C—C9C—O11C—Zn2vi | 166.96 (19) |
Zn1—O1B—C3B—O2B | −10.7 (4) | Zn1—O1D—C3D—O2D | −10.2 (4) |
Zn1—O1B—C3B—C4B | 169.09 (18) | Zn1—O1D—C3D—C4D | 169.30 (18) |
O2B—C3B—C4B—C5B | −1.7 (5) | O2D—C3D—C4D—C5D | −0.4 (5) |
O1B—C3B—C4B—C5B | 178.5 (3) | O1D—C3D—C4D—C5D | −180.0 (3) |
O2B—C3B—C4B—O8B | 175.6 (2) | O2D—C3D—C4D—O8D | 175.6 (2) |
O1B—C3B—C4B—O8B | −4.2 (4) | O1D—C3D—C4D—O8D | −3.9 (4) |
O8B—C4B—C5B—C6B | −0.4 (3) | O8D—C4D—C5D—C6D | −0.6 (4) |
C3B—C4B—C5B—C6B | 177.0 (3) | C3D—C4D—C5D—C6D | 175.7 (3) |
C4B—C5B—C6B—C7B | 0.4 (3) | C4D—C5D—C6D—C7D | 0.6 (4) |
C5B—C6B—C7B—O8B | −0.2 (3) | C5D—C6D—C7D—O8D | −0.3 (4) |
C5B—C6B—C7B—C9B | −175.4 (3) | C5D—C6D—C7D—C9D | −176.8 (3) |
C6B—C7B—O8B—C4B | 0.0 (3) | C5D—C4D—O8D—C7D | 0.4 (3) |
C9B—C7B—O8B—C4B | 175.9 (2) | C3D—C4D—O8D—C7D | −176.4 (2) |
C5B—C4B—O8B—C7B | 0.2 (3) | C6D—C7D—O8D—C4D | 0.0 (3) |
C3B—C4B—O8B—C7B | −177.6 (2) | C9D—C7D—O8D—C4D | 177.0 (2) |
C6B—C7B—C9B—O10B | 1.5 (5) | C6D—C7D—C9D—O10D | 2.6 (5) |
O8B—C7B—C9B—O10B | −173.4 (2) | O8D—C7D—C9D—O10D | −173.6 (2) |
C6B—C7B—C9B—O11B | −178.9 (3) | C6D—C7D—C9D—O11D | −178.0 (3) |
O8B—C7B—C9B—O11B | 6.3 (4) | O8D—C7D—C9D—O11D | 5.8 (4) |
O10B—C9B—O11B—Zn3 | 12.8 (4) | O10D—C9D—O11D—Zn3vii | 12.5 (4) |
C7B—C9B—O11B—Zn3 | −166.81 (18) | C7D—C9D—O11D—Zn3vii | −166.86 (19) |
Symmetry codes: (i) −x+1, y, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) x+1/2, y−1/2, z; (iv) −x, y, −z+1/2; (v) x−1/2, y−1/2, z; (vi) x−1/2, y+1/2, z; (vii) x+1/2, y+1/2, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N2E—H2E1···O10Ai | 0.91 | 2.21 | 2.915 (3) | 134 |
N2E—H2E1···O2Dviii | 0.91 | 2.13 | 2.899 (3) | 141 |
N2E—H2E2···O2B | 0.91 | 2.12 | 2.864 (3) | 138 |
N2E—H2E2···O2Bviii | 0.91 | 2.22 | 2.926 (4) | 134 |
N2F—H2F1···O2Aix | 0.91 | 2.12 | 2.893 (3) | 142 |
N2F—H2F1···O10Dii | 0.91 | 2.23 | 2.926 (3) | 133 |
N2F—H2F2···O2C | 0.91 | 2.11 | 2.858 (3) | 139 |
N2F—H2F2···O2Cix | 0.91 | 2.22 | 2.927 (4) | 134 |
N2G—H2G1···O10Civ | 0.91 | 2.23 | 2.932 (3) | 133 |
N2G—H2G1···O10Cx | 0.91 | 2.12 | 2.891 (4) | 142 |
N2G—H2G2···O10Axi | 0.91 | 2.22 | 2.922 (4) | 134 |
N2G—H2G2···O2D | 0.91 | 2.12 | 2.867 (3) | 139 |
N2H—H2H1···O10Bxii | 0.91 | 2.22 | 2.928 (3) | 134 |
N2H—H2H1···O10Bxiii | 0.91 | 2.12 | 2.886 (4) | 141 |
N2H—H2H2···O2A | 0.91 | 2.13 | 2.872 (3) | 138 |
N2H—H2H2···O10Dxiv | 0.91 | 2.21 | 2.918 (4) | 134 |
Symmetry codes: (i) −x+1, y, −z+1/2; (ii) −x+1/2, y−1/2, −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, z−1/2; (xi) x−1/2, −y+1/2, z−1/2; (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(µ
4-furan-2,5-dicarboxylato-
κO2:
κO2':
κO5:
κO5)bis(µ
3-furan-2,5-dicarboxylato-
κO2:
κO2':
κO5)dizinc(II)]
dimethylformamide 3.08-solvate] (2)
top
Crystal data top
(C2H8N)2[Zn2(C6H2O5)4]·3.08C3H7NO | F(000) = 1159 |
Mr = 1130.50 | Dx = 1.508 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 9.2803 (3) Å | Cell parameters from 17707 reflections |
b = 15.1916 (5) Å | θ = 2.2–31.7° |
c = 17.7731 (6) Å | µ = 1.52 mm−1 |
β = 96.4221 (6)° | T = 150 K |
V = 2489.97 (14) Å3 | Block, colourless |
Z = 2 | 0.33 × 0.30 × 0.15 mm |
Data collection top
Bruker SMART APEXII CCD diffractometer | 7255 independent reflections |
Radiation source: sealed tube | 6472 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
Detector resolution: 8.333 pixels mm-1 | θmax = 30.0°, θmin = 1.8° |
φ and ω scans | h = −13→13 |
Absorption correction: multi-scan (SADABS; Krause et al., 2015) | k = −21→20 |
Tmin = 0.605, Tmax = 0.796 | l = −24→24 |
41068 measured reflections | |
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)] = 0.048 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.115 | H-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 parameters | Δρmax = 1.76 e Å−3 |
121 restraints | Δρmin = −1.18 e Å−3 |
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 | x | y | z | Uiso*/Ueq | Occ. (<1) |
Zn1 | 0.500000 | 0.500000 | 1.000000 | 0.02270 (11) | |
Zn2 | 0.42599 (3) | 0.61076 (2) | 0.83985 (2) | 0.02074 (8) | |
O1A | 0.3026 (2) | 0.46504 (15) | 0.94902 (13) | 0.0281 (5) | |
O2A | 0.2326 (2) | 0.57061 (16) | 0.86327 (12) | 0.0285 (5) | |
C3A | 0.2101 (3) | 0.5076 (2) | 0.90644 (16) | 0.0240 (6) | |
C4A | 0.0572 (3) | 0.4795 (2) | 0.90756 (16) | 0.0241 (6) | |
C5A | −0.0023 (3) | 0.4055 (2) | 0.93325 (19) | 0.0293 (6) | |
H5A | 0.047939 | 0.355376 | 0.954731 | 0.035* | |
C6A | −0.1553 (3) | 0.4177 (2) | 0.92162 (18) | 0.0285 (6) | |
H6A | −0.227587 | 0.377337 | 0.933539 | 0.034* | |
O8A | −0.0480 (2) | 0.53740 (15) | 0.87952 (11) | 0.0236 (4) | |
C9A | −0.3087 (3) | 0.5513 (2) | 0.86701 (16) | 0.0235 (5) | |
C7A | −0.1772 (3) | 0.4985 (2) | 0.89015 (16) | 0.0231 (5) | |
O10A | −0.4299 (2) | 0.52153 (15) | 0.88787 (12) | 0.0241 (4) | |
O11A | −0.3037 (2) | 0.61822 (17) | 0.82919 (13) | 0.0323 (5) | |
O1B | 0.3871 (4) | 0.5295 (2) | 0.71541 (18) | 0.0609 (9) | |
O2B | 0.4031 (3) | 0.6704 (2) | 0.73894 (13) | 0.0434 (7) | |
C3B | 0.3940 (4) | 0.6060 (3) | 0.69386 (19) | 0.0401 (9) | |
C4B | 0.3949 (4) | 0.6244 (2) | 0.61219 (18) | 0.0317 (7) | |
C5B | 0.3848 (5) | 0.5702 (3) | 0.5522 (2) | 0.0412 (8) | |
H5B | 0.370363 | 0.508294 | 0.552333 | 0.049* | |
C6B | 0.4002 (5) | 0.6242 (2) | 0.48841 (19) | 0.0390 (8) | |
H6B | 0.397570 | 0.605338 | 0.437309 | 0.047* | |
C7B | 0.4194 (3) | 0.7075 (2) | 0.51421 (16) | 0.0268 (6) | |
O8B | 0.4160 (2) | 0.70942 (16) | 0.59083 (11) | 0.0272 (4) | |
C9B | 0.4401 (3) | 0.7915 (2) | 0.47440 (16) | 0.0241 (5) | |
O10B | 0.4452 (3) | 0.78259 (15) | 0.40358 (12) | 0.0296 (5) | |
O11B | 0.4473 (2) | 0.86162 (15) | 0.51109 (12) | 0.0262 (4) | |
C1C | 0.6353 (7) | 0.8458 (5) | 0.7049 (4) | 0.0629 (17) | 0.776 (7) |
H1C1 | 0.574893 | 0.841455 | 0.656112 | 0.094* | 0.776 (7) |
H1C2 | 0.713651 | 0.802335 | 0.706710 | 0.094* | 0.776 (7) |
H1C3 | 0.676770 | 0.905024 | 0.710651 | 0.094* | 0.776 (7) |
C2C | 0.3980 (7) | 0.8689 (4) | 0.7584 (4) | 0.0643 (18) | 0.776 (7) |
H2C1 | 0.404820 | 0.931417 | 0.772102 | 0.096* | 0.776 (7) |
H2C2 | 0.340689 | 0.837935 | 0.793168 | 0.096* | 0.776 (7) |
H2C3 | 0.351019 | 0.862963 | 0.706472 | 0.096* | 0.776 (7) |
N1C | 0.5499 (8) | 0.8293 (5) | 0.7638 (5) | 0.0759 (18) | 0.776 (7) |
H1C4 | 0.599909 | 0.848799 | 0.807604 | 0.091* | 0.776 (7) |
H1C5 | 0.540948 | 0.769899 | 0.768106 | 0.091* | 0.776 (7) |
C1D | 0.663 (2) | 0.8323 (12) | 0.8278 (11) | 0.047 (4) | 0.224 (7) |
H1D1 | 0.701489 | 0.777449 | 0.809192 | 0.071* | 0.224 (7) |
H1D2 | 0.647396 | 0.825368 | 0.881147 | 0.071* | 0.224 (7) |
H1D3 | 0.731375 | 0.880291 | 0.822767 | 0.071* | 0.224 (7) |
C2D | 0.513 (3) | 0.8508 (15) | 0.6928 (12) | 0.064 (4) | 0.224 (7) |
H2D1 | 0.506217 | 0.911345 | 0.673617 | 0.096* | 0.224 (7) |
H2D2 | 0.425525 | 0.818249 | 0.673642 | 0.096* | 0.224 (7) |
H2D3 | 0.598233 | 0.822119 | 0.675607 | 0.096* | 0.224 (7) |
N1D | 0.529 (3) | 0.852 (2) | 0.7848 (15) | 0.0759 (18) | 0.224 (7) |
H1D4 | 0.502397 | 0.906770 | 0.799058 | 0.091* | 0.224 (7) |
H1D5 | 0.462158 | 0.813818 | 0.799551 | 0.091* | 0.224 (7) |
C1E | 0.9981 (9) | 0.8863 (6) | 0.9853 (5) | 0.083 (3) | 0.731 (6) |
H1E1 | 1.056307 | 0.868246 | 1.032142 | 0.125* | 0.731 (6) |
H1E2 | 0.913595 | 0.919788 | 0.997668 | 0.125* | 0.731 (6) |
H1E3 | 1.056963 | 0.923268 | 0.955397 | 0.125* | 0.731 (6) |
C2E | 1.0522 (9) | 0.7540 (5) | 0.9148 (5) | 0.080 (3) | 0.731 (6) |
H2E1 | 1.106458 | 0.786446 | 0.879548 | 0.120* | 0.731 (6) |
H2E2 | 1.001875 | 0.704224 | 0.888397 | 0.120* | 0.731 (6) |
H2E3 | 1.119335 | 0.732054 | 0.957122 | 0.120* | 0.731 (6) |
N1E | 0.9505 (6) | 0.8100 (4) | 0.9424 (4) | 0.0672 (19) | 0.731 (6) |
C3E | 0.8234 (8) | 0.8076 (5) | 0.9054 (6) | 0.080 (3) | 0.731 (6) |
H3D | 0.803362 | 0.757231 | 0.874286 | 0.096* | 0.731 (6) |
O1E | 0.7253 (6) | 0.8607 (4) | 0.9045 (5) | 0.101 (2) | 0.731 (6) |
C1F | 0.7740 (8) | 0.9140 (9) | 0.1494 (6) | 0.162 (5) | 0.811 (6) |
H1F1 | 0.770899 | 0.897919 | 0.095837 | 0.244* | 0.811 (6) |
H1F2 | 0.730440 | 0.972246 | 0.153730 | 0.244* | 0.811 (6) |
H1F3 | 0.719683 | 0.870457 | 0.175613 | 0.244* | 0.811 (6) |
C2F | 0.9906 (8) | 0.8380 (6) | 0.2079 (5) | 0.097 (3) | 0.811 (6) |
H2F1 | 1.080393 | 0.852086 | 0.240084 | 0.145* | 0.811 (6) |
H2F2 | 1.013422 | 0.803594 | 0.164185 | 0.145* | 0.811 (6) |
H2F3 | 0.926612 | 0.803778 | 0.237081 | 0.145* | 0.811 (6) |
N1F | 0.9213 (6) | 0.9158 (6) | 0.1830 (4) | 0.097 (2) | 0.811 (6) |
C3F | 0.9796 (12) | 0.9914 (7) | 0.2006 (5) | 0.111 (3) | 0.811 (6) |
H3F | 1.076886 | 0.989030 | 0.223786 | 0.133* | 0.811 (6) |
O1F | 0.9289 (12) | 1.0651 (6) | 0.1920 (6) | 0.179 (4) | 0.811 (6) |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Zn1 | 0.0159 (2) | 0.0302 (2) | 0.0219 (2) | 0.00078 (17) | 0.00181 (16) | 0.00438 (18) |
Zn2 | 0.01996 (15) | 0.02485 (16) | 0.01738 (14) | 0.00132 (12) | 0.00194 (11) | 0.00302 (12) |
O1A | 0.0160 (9) | 0.0335 (12) | 0.0344 (11) | 0.0001 (8) | 0.0006 (8) | 0.0065 (9) |
O2A | 0.0179 (9) | 0.0393 (13) | 0.0287 (11) | 0.0000 (9) | 0.0037 (8) | 0.0083 (9) |
C3A | 0.0150 (11) | 0.0329 (15) | 0.0245 (13) | 0.0006 (10) | 0.0037 (10) | −0.0006 (11) |
C4A | 0.0145 (11) | 0.0337 (15) | 0.0243 (13) | 0.0016 (10) | 0.0030 (10) | 0.0014 (11) |
C5A | 0.0173 (12) | 0.0344 (17) | 0.0364 (16) | 0.0021 (11) | 0.0046 (11) | 0.0046 (13) |
C6A | 0.0166 (12) | 0.0355 (16) | 0.0342 (16) | −0.0012 (11) | 0.0056 (11) | 0.0021 (13) |
O8A | 0.0129 (8) | 0.0339 (11) | 0.0242 (10) | 0.0005 (8) | 0.0029 (7) | 0.0024 (8) |
C9A | 0.0162 (12) | 0.0349 (15) | 0.0196 (12) | 0.0007 (11) | 0.0027 (9) | −0.0029 (11) |
C7A | 0.0132 (11) | 0.0349 (15) | 0.0215 (12) | −0.0012 (10) | 0.0036 (9) | −0.0012 (11) |
O10A | 0.0133 (8) | 0.0341 (11) | 0.0248 (10) | 0.0012 (8) | 0.0020 (7) | 0.0008 (8) |
O11A | 0.0229 (10) | 0.0402 (13) | 0.0343 (12) | 0.0035 (9) | 0.0049 (9) | 0.0090 (10) |
O1B | 0.068 (2) | 0.071 (2) | 0.0465 (17) | 0.0187 (17) | 0.0205 (15) | 0.0339 (16) |
O2B | 0.0306 (12) | 0.079 (2) | 0.0201 (11) | −0.0048 (13) | 0.0013 (9) | 0.0108 (12) |
C3B | 0.0250 (15) | 0.070 (3) | 0.0259 (15) | 0.0096 (16) | 0.0064 (12) | 0.0182 (17) |
C4B | 0.0292 (15) | 0.0417 (19) | 0.0245 (14) | 0.0048 (13) | 0.0049 (11) | 0.0098 (13) |
C5B | 0.058 (2) | 0.0326 (18) | 0.0345 (18) | 0.0006 (16) | 0.0115 (16) | 0.0080 (14) |
C6B | 0.061 (2) | 0.0328 (18) | 0.0240 (15) | −0.0015 (16) | 0.0087 (15) | 0.0010 (13) |
C7B | 0.0308 (15) | 0.0326 (16) | 0.0174 (12) | 0.0014 (12) | 0.0046 (11) | 0.0019 (11) |
O8B | 0.0258 (10) | 0.0383 (12) | 0.0174 (9) | 0.0006 (9) | 0.0030 (8) | 0.0016 (8) |
C9B | 0.0198 (12) | 0.0295 (15) | 0.0234 (13) | 0.0014 (11) | 0.0042 (10) | 0.0010 (11) |
O10B | 0.0402 (12) | 0.0275 (11) | 0.0224 (10) | 0.0020 (9) | 0.0093 (9) | 0.0013 (8) |
O11B | 0.0222 (10) | 0.0300 (11) | 0.0267 (10) | 0.0000 (8) | 0.0041 (8) | −0.0031 (9) |
C1C | 0.061 (4) | 0.060 (4) | 0.066 (4) | −0.023 (3) | 0.000 (3) | −0.022 (3) |
C2C | 0.066 (4) | 0.054 (4) | 0.068 (4) | −0.007 (3) | −0.010 (3) | 0.019 (3) |
N1C | 0.074 (3) | 0.070 (4) | 0.079 (4) | −0.001 (3) | −0.013 (3) | −0.006 (3) |
C1D | 0.055 (8) | 0.037 (8) | 0.049 (8) | −0.012 (7) | 0.001 (6) | 0.011 (7) |
C2D | 0.075 (9) | 0.049 (8) | 0.062 (6) | 0.006 (8) | −0.015 (7) | −0.008 (7) |
N1D | 0.074 (3) | 0.070 (4) | 0.079 (4) | −0.001 (3) | −0.013 (3) | −0.006 (3) |
C1E | 0.064 (5) | 0.111 (7) | 0.074 (5) | −0.028 (5) | 0.006 (4) | −0.041 (5) |
C2E | 0.109 (7) | 0.041 (4) | 0.096 (6) | 0.001 (4) | 0.037 (5) | 0.007 (4) |
N1E | 0.048 (3) | 0.050 (3) | 0.096 (5) | 0.008 (2) | −0.028 (3) | −0.016 (3) |
C3E | 0.054 (4) | 0.047 (4) | 0.134 (8) | 0.002 (3) | −0.008 (5) | −0.008 (4) |
O1E | 0.067 (4) | 0.076 (4) | 0.158 (7) | 0.007 (3) | 0.004 (4) | −0.012 (4) |
C1F | 0.049 (4) | 0.323 (14) | 0.111 (7) | −0.017 (6) | −0.009 (4) | 0.119 (8) |
C2F | 0.065 (4) | 0.145 (6) | 0.077 (5) | −0.020 (5) | −0.004 (4) | −0.004 (5) |
N1F | 0.052 (3) | 0.174 (6) | 0.065 (4) | −0.018 (4) | 0.006 (3) | 0.033 (4) |
C3F | 0.139 (7) | 0.134 (6) | 0.062 (4) | 0.022 (5) | 0.020 (5) | 0.034 (5) |
O1F | 0.224 (10) | 0.168 (6) | 0.155 (8) | 0.049 (7) | 0.064 (7) | 0.061 (6) |
Geometric parameters (Å, º) top
Zn1—O1Ai | 2.022 (2) | C1C—H1C3 | 0.9800 |
Zn1—O1A | 2.022 (2) | C2C—N1C | 1.526 (10) |
Zn1—O11Bii | 2.172 (2) | C2C—H2C1 | 0.9800 |
Zn1—O11Biii | 2.172 (2) | C2C—H2C2 | 0.9800 |
Zn1—O10Aiv | 2.189 (2) | C2C—H2C3 | 0.9800 |
Zn1—O10Av | 2.189 (2) | N1C—H1C4 | 0.9100 |
Zn2—O10Bii | 1.973 (2) | N1C—H1C5 | 0.9100 |
Zn2—O2A | 1.984 (2) | C1D—N1D | 1.41 (3) |
Zn2—O2B | 2.000 (2) | C1D—H1D1 | 0.9800 |
Zn2—O10Aiv | 2.024 (2) | C1D—H1D2 | 0.9800 |
O1A—C3A | 1.258 (4) | C1D—H1D3 | 0.9800 |
O2A—C3A | 1.259 (4) | C2D—N1D | 1.63 (3) |
C3A—C4A | 1.484 (4) | C2D—H2D1 | 0.9800 |
C4A—C5A | 1.355 (4) | C2D—H2D2 | 0.9800 |
C4A—O8A | 1.366 (3) | C2D—H2D3 | 0.9800 |
C5A—C6A | 1.424 (4) | N1D—H1D4 | 0.9100 |
C5A—H5A | 0.9500 | N1D—H1D5 | 0.9100 |
C6A—C7A | 1.355 (5) | C1E—N1E | 1.430 (7) |
C6A—H6A | 0.9500 | C1E—H1E1 | 0.9800 |
O8A—C7A | 1.369 (3) | C1E—H1E2 | 0.9800 |
C9A—O11A | 1.222 (4) | C1E—H1E3 | 0.9800 |
C9A—O10A | 1.304 (3) | C2E—N1E | 1.399 (8) |
C9A—C7A | 1.479 (4) | C2E—H2E1 | 0.9800 |
O1B—C3B | 1.228 (5) | C2E—H2E2 | 0.9800 |
O2B—C3B | 1.261 (5) | C2E—H2E3 | 0.9800 |
C3B—C4B | 1.479 (4) | N1E—C3E | 1.285 (8) |
C4B—C5B | 1.343 (5) | C3E—O1E | 1.216 (8) |
C4B—O8B | 1.366 (4) | C3E—H3D | 0.9500 |
C5B—C6B | 1.419 (5) | C1F—N1F | 1.429 (8) |
C5B—H5B | 0.9500 | C1F—H1F1 | 0.9800 |
C6B—C7B | 1.351 (5) | C1F—H1F2 | 0.9800 |
C6B—H6B | 0.9500 | C1F—H1F3 | 0.9800 |
C7B—O8B | 1.366 (3) | C2F—N1F | 1.393 (9) |
C7B—C9B | 1.482 (4) | C2F—H2F1 | 0.9800 |
C9B—O11B | 1.247 (4) | C2F—H2F2 | 0.9800 |
C9B—O10B | 1.272 (3) | C2F—H2F3 | 0.9800 |
C1C—N1C | 1.405 (10) | N1F—C3F | 1.293 (9) |
C1C—H1C1 | 0.9800 | C3F—O1F | 1.218 (9) |
C1C—H1C2 | 0.9800 | C3F—H3F | 0.9500 |
| | | |
O1Ai—Zn1—O1A | 180.0 | N1C—C1C—H1C3 | 109.5 |
O1Ai—Zn1—O11Bii | 84.67 (9) | H1C1—C1C—H1C3 | 109.5 |
O1A—Zn1—O11Bii | 95.33 (9) | H1C2—C1C—H1C3 | 109.5 |
O1Ai—Zn1—O11Biii | 95.33 (9) | N1C—C2C—H2C1 | 109.5 |
O1A—Zn1—O11Biii | 84.67 (9) | N1C—C2C—H2C2 | 109.5 |
O11Bii—Zn1—O11Biii | 180.0 | H2C1—C2C—H2C2 | 109.5 |
O1Ai—Zn1—O10Aiv | 91.28 (8) | N1C—C2C—H2C3 | 109.5 |
O1A—Zn1—O10Aiv | 88.72 (8) | H2C1—C2C—H2C3 | 109.5 |
O11Bii—Zn1—O10Aiv | 91.77 (8) | H2C2—C2C—H2C3 | 109.5 |
O11Biii—Zn1—O10Aiv | 88.23 (8) | C1C—N1C—C2C | 118.5 (7) |
O1Ai—Zn1—O10Av | 88.72 (8) | C1C—N1C—H1C4 | 107.7 |
O1A—Zn1—O10Av | 91.28 (8) | C2C—N1C—H1C4 | 107.7 |
O11Bii—Zn1—O10Av | 88.23 (8) | C1C—N1C—H1C5 | 107.7 |
O11Biii—Zn1—O10Av | 91.77 (8) | C2C—N1C—H1C5 | 107.7 |
O10Aiv—Zn1—O10Av | 180.0 | H1C4—N1C—H1C5 | 107.1 |
O10Bii—Zn2—O2A | 99.09 (10) | N1D—C1D—H1D1 | 109.5 |
O10Bii—Zn2—O2B | 97.84 (11) | N1D—C1D—H1D2 | 109.5 |
O2A—Zn2—O2B | 108.65 (10) | H1D1—C1D—H1D2 | 109.5 |
O10Bii—Zn2—O10Aiv | 107.14 (9) | N1D—C1D—H1D3 | 109.5 |
O2A—Zn2—O10Aiv | 106.03 (9) | H1D1—C1D—H1D3 | 109.5 |
O2B—Zn2—O10Aiv | 132.89 (10) | H1D2—C1D—H1D3 | 109.5 |
C3A—O1A—Zn1 | 131.1 (2) | N1D—C2D—H2D1 | 109.5 |
C3A—O2A—Zn2 | 125.26 (19) | N1D—C2D—H2D2 | 109.5 |
O1A—C3A—O2A | 127.5 (3) | H2D1—C2D—H2D2 | 109.5 |
O1A—C3A—C4A | 115.7 (3) | N1D—C2D—H2D3 | 109.5 |
O2A—C3A—C4A | 116.8 (3) | H2D1—C2D—H2D3 | 109.5 |
C5A—C4A—O8A | 110.8 (2) | H2D2—C2D—H2D3 | 109.5 |
C5A—C4A—C3A | 132.1 (3) | C1D—N1D—C2D | 121 (2) |
O8A—C4A—C3A | 117.1 (3) | C1D—N1D—H1D4 | 107.1 |
C4A—C5A—C6A | 106.3 (3) | C2D—N1D—H1D4 | 107.1 |
C4A—C5A—H5A | 126.9 | C1D—N1D—H1D5 | 107.1 |
C6A—C5A—H5A | 126.9 | C2D—N1D—H1D5 | 107.1 |
C7A—C6A—C5A | 106.2 (3) | H1D4—N1D—H1D5 | 106.8 |
C7A—C6A—H6A | 126.9 | N1E—C1E—H1E1 | 109.5 |
C5A—C6A—H6A | 126.9 | N1E—C1E—H1E2 | 109.5 |
C4A—O8A—C7A | 105.9 (2) | H1E1—C1E—H1E2 | 109.5 |
O11A—C9A—O10A | 122.2 (3) | N1E—C1E—H1E3 | 109.5 |
O11A—C9A—C7A | 121.5 (3) | H1E1—C1E—H1E3 | 109.5 |
O10A—C9A—C7A | 116.4 (3) | H1E2—C1E—H1E3 | 109.5 |
C6A—C7A—O8A | 110.8 (2) | N1E—C2E—H2E1 | 109.5 |
C6A—C7A—C9A | 133.4 (3) | N1E—C2E—H2E2 | 109.5 |
O8A—C7A—C9A | 115.9 (3) | H2E1—C2E—H2E2 | 109.5 |
C9A—O10A—Zn2vi | 101.42 (18) | N1E—C2E—H2E3 | 109.5 |
C9A—O10A—Zn1vi | 131.61 (18) | H2E1—C2E—H2E3 | 109.5 |
Zn2vi—O10A—Zn1vi | 103.56 (9) | H2E2—C2E—H2E3 | 109.5 |
C3B—O2B—Zn2 | 102.2 (2) | C3E—N1E—C2E | 114.8 (7) |
O1B—C3B—O2B | 122.6 (3) | C3E—N1E—C1E | 120.4 (6) |
O1B—C3B—C4B | 119.4 (4) | C2E—N1E—C1E | 120.0 (6) |
O2B—C3B—C4B | 118.0 (4) | O1E—C3E—N1E | 129.1 (8) |
C5B—C4B—O8B | 111.0 (3) | O1E—C3E—H3D | 115.4 |
C5B—C4B—C3B | 131.0 (4) | N1E—C3E—H3D | 115.4 |
O8B—C4B—C3B | 117.9 (3) | N1F—C1F—H1F1 | 109.5 |
C4B—C5B—C6B | 106.0 (3) | N1F—C1F—H1F2 | 109.5 |
C4B—C5B—H5B | 127.0 | H1F1—C1F—H1F2 | 109.5 |
C6B—C5B—H5B | 127.0 | N1F—C1F—H1F3 | 109.5 |
C7B—C6B—C5B | 107.0 (3) | H1F1—C1F—H1F3 | 109.5 |
C7B—C6B—H6B | 126.5 | H1F2—C1F—H1F3 | 109.5 |
C5B—C6B—H6B | 126.5 | N1F—C2F—H2F1 | 109.5 |
C6B—C7B—O8B | 109.9 (3) | N1F—C2F—H2F2 | 109.5 |
C6B—C7B—C9B | 131.6 (3) | H2F1—C2F—H2F2 | 109.5 |
O8B—C7B—C9B | 118.5 (3) | N1F—C2F—H2F3 | 109.5 |
C4B—O8B—C7B | 106.1 (3) | H2F1—C2F—H2F3 | 109.5 |
O11B—C9B—O10B | 127.0 (3) | H2F2—C2F—H2F3 | 109.5 |
O11B—C9B—C7B | 119.2 (3) | C3F—N1F—C2F | 120.7 (7) |
O10B—C9B—C7B | 113.7 (3) | C3F—N1F—C1F | 118.3 (9) |
C9B—O10B—Zn2vii | 118.0 (2) | C2F—N1F—C1F | 120.1 (8) |
C9B—O11B—Zn1viii | 141.2 (2) | O1F—C3F—N1F | 129.9 (11) |
N1C—C1C—H1C1 | 109.5 | O1F—C3F—H3F | 115.1 |
N1C—C1C—H1C2 | 109.5 | N1F—C3F—H3F | 115.1 |
H1C1—C1C—H1C2 | 109.5 | | |
| | | |
Zn1—O1A—C3A—O2A | 27.3 (5) | Zn2—O2B—C3B—C4B | −172.2 (2) |
Zn1—O1A—C3A—C4A | −152.9 (2) | O1B—C3B—C4B—C5B | 2.3 (6) |
Zn2—O2A—C3A—O1A | 8.7 (5) | O2B—C3B—C4B—C5B | −179.0 (4) |
Zn2—O2A—C3A—C4A | −171.1 (2) | O1B—C3B—C4B—O8B | −174.1 (3) |
O1A—C3A—C4A—C5A | −16.0 (5) | O2B—C3B—C4B—O8B | 4.6 (5) |
O2A—C3A—C4A—C5A | 163.8 (3) | O8B—C4B—C5B—C6B | −0.1 (4) |
O1A—C3A—C4A—O8A | 162.4 (3) | C3B—C4B—C5B—C6B | −176.7 (4) |
O2A—C3A—C4A—O8A | −17.8 (4) | C4B—C5B—C6B—C7B | 0.3 (5) |
O8A—C4A—C5A—C6A | −0.8 (4) | C5B—C6B—C7B—O8B | −0.4 (4) |
C3A—C4A—C5A—C6A | 177.7 (3) | C5B—C6B—C7B—C9B | −179.5 (3) |
C4A—C5A—C6A—C7A | −0.4 (4) | C5B—C4B—O8B—C7B | −0.1 (4) |
C5A—C4A—O8A—C7A | 1.6 (3) | C3B—C4B—O8B—C7B | 177.0 (3) |
C3A—C4A—O8A—C7A | −177.1 (2) | C6B—C7B—O8B—C4B | 0.3 (4) |
C5A—C6A—C7A—O8A | 1.4 (4) | C9B—C7B—O8B—C4B | 179.6 (3) |
C5A—C6A—C7A—C9A | −177.6 (3) | C6B—C7B—C9B—O11B | 175.9 (4) |
C4A—O8A—C7A—C6A | −1.8 (3) | O8B—C7B—C9B—O11B | −3.2 (4) |
C4A—O8A—C7A—C9A | 177.3 (2) | C6B—C7B—C9B—O10B | −2.6 (5) |
O11A—C9A—C7A—C6A | −169.0 (3) | O8B—C7B—C9B—O10B | 178.4 (3) |
O10A—C9A—C7A—C6A | 9.7 (5) | O11B—C9B—O10B—Zn2vii | −12.5 (4) |
O11A—C9A—C7A—O8A | 12.1 (4) | C7B—C9B—O10B—Zn2vii | 165.9 (2) |
O10A—C9A—C7A—O8A | −169.3 (2) | O10B—C9B—O11B—Zn1viii | −11.9 (5) |
O11A—C9A—O10A—Zn2vi | 1.1 (3) | C7B—C9B—O11B—Zn1viii | 169.9 (2) |
C7A—C9A—O10A—Zn2vi | −177.5 (2) | C2E—N1E—C3E—O1E | −161.5 (10) |
O11A—C9A—O10A—Zn1vi | −118.8 (3) | C1E—N1E—C3E—O1E | −6.1 (16) |
C7A—C9A—O10A—Zn1vi | 62.5 (4) | C2F—N1F—C3F—O1F | −170.2 (10) |
Zn2—O2B—C3B—O1B | 6.5 (4) | C1F—N1F—C3F—O1F | −1.4 (16) |
Symmetry codes: (i) −x+1, −y+1, −z+2; (ii) x, −y+3/2, z+1/2; (iii) −x+1, y−1/2, −z+3/2; (iv) x+1, y, z; (v) −x, −y+1, −z+2; (vi) x−1, y, z; (vii) x, −y+3/2, z−1/2; (viii) −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 |
N1C(a)—H1C4(a)···O1E(a) | 0.91 | 1.98 | 2.867 (11) | 166 |
N1C(a)—H1C5(a)···O2B | 0.91 | 2.01 | 2.782 (9) | 142 |
N1D(b)—H1D4(b)···O1Bviii | 0.91 | 2.16 | 2.81 (3) | 127 |
N1D(b)—H1D5(b)···O2B | 0.91 | 2.46 | 3.07 (3) | 124 |
N1D(b)—H1D5(b)···O10Bii | 0.91 | 2.38 | 3.10 (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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