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The title compound was obtained as a result of a template reaction between oxalohydrazide, formaldehyde and iron(III) chloride in the presence of atmospheric O2. The complex anion of the title compound reveals clathrochelate topology and includes an FeIV metal centre. In the crystal, the complex anions are connected through two Li cations into dimers, which are connected by Li—O bonds, forming infinite chains along the b-axis direction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989023008587/tx2074sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2056989023008587/tx2074Isup2.hkl
Contains datablock I

cdx

Chemdraw file https://doi.org/10.1107/S2056989023008587/tx2074Isup3.cdx
Supplementary material

CCDC reference: 2298136

Computing details top

Data collection: CrysAlis PRO 1.171.41.104a (Rigaku OD, 2021); cell refinement: CrysAlis PRO 1.171.41.104a (Rigaku OD, 2021); data reduction: CrysAlis PRO 1.171.41.104a (Rigaku OD, 2021); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2015b); molecular graphics: Olex2 1.3-ac4 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 1.3-ac4 (Dolomanov et al., 2009).

Poly[[tetraaqua(µ-1,3,4,7,8,10,12,13,16,17,19,22-dodecaazatetracyclo[8.8.4.13,17.18,12]tetracosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetrahydrate] top
Crystal data top
[FeLi2(C12H12N12O6)(H2O)4]·4H2OF(000) = 2624
Mr = 634.19Dx = 1.720 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 25.4076 (8) ÅCell parameters from 6976 reflections
b = 9.9854 (2) Åθ = 2.3–29.0°
c = 22.3570 (8) ŵ = 0.71 mm1
β = 120.265 (5)°T = 240 K
V = 4899.0 (3) Å3Plate, clear dark brown
Z = 80.35 × 0.25 × 0.15 mm
Data collection top
Xcalibur, Eos
diffractometer
4704 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tubeRint = 0.028
ω scansθmax = 29.3°, θmin = 1.9°
Absorption correction: multi-scan
(CrysAlisPro; Rigaku OD, 2021)
h = 3134
Tmin = 0.856, Tmax = 1.000k = 1212
15658 measured reflectionsl = 3028
5611 independent reflections3 standard reflections every 100 reflections
Refinement top
Refinement on F23 restraints
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.035H-atom parameters constrained
wR(F2) = 0.086 w = 1/[σ2(Fo2) + (0.0346P)2 + 4.922P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max < 0.001
5611 reflectionsΔρmax = 0.36 e Å3
370 parametersΔρmin = 0.50 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
Fe10.46624 (2)0.22908 (3)0.38076 (2)0.01262 (8)
Li10.31903 (16)0.2166 (4)0.4662 (2)0.0285 (8)
Li20.51611 (16)0.6998 (4)0.36559 (18)0.0247 (8)
O10.41814 (6)0.20924 (15)0.52715 (7)0.0253 (3)
O20.53645 (6)0.30502 (15)0.58348 (7)0.0235 (3)
O30.34175 (7)0.45564 (14)0.22349 (8)0.0304 (4)
O40.45683 (6)0.57917 (13)0.28837 (7)0.0210 (3)
O50.46493 (6)0.13454 (14)0.30406 (7)0.0224 (3)
O60.57720 (6)0.00286 (15)0.34614 (8)0.0271 (3)
O70.32263 (7)0.33148 (17)0.53909 (8)0.0347 (4)
H00E0.3504620.3175680.5813920.052*
H00F0.2911470.3547330.5414520.052*
O80.28280 (7)0.04068 (15)0.46559 (8)0.0301 (4)
H00C0.2867650.0032400.5022610.045*
H00D0.2727420.0235730.4362000.045*
O90.25088 (7)0.32555 (17)0.39188 (8)0.0368 (4)
H00G0.2222230.2982880.3522070.055*
H00H0.2371990.3988790.3990400.055*
O100.57787 (6)0.72100 (14)0.33567 (7)0.0204 (3)
H00A0.5781720.8034270.3239400.031*
H00B0.5665420.6762970.2979300.031*
O110.33933 (7)0.73725 (15)0.24099 (8)0.0291 (3)
H00O0.3492280.6596210.2331940.044*
H00P0.3733270.7795210.2634400.044*
O120.32125 (8)0.6666 (2)0.35183 (9)0.0512 (5)
H00S0.3261630.6850110.3173560.077*
H00T0.3569210.6760470.3876260.077*
O130.25329 (7)0.30629 (16)0.11515 (8)0.0351 (4)
H00Q0.2312030.2611200.1270060.053*
H00R0.2815840.3401850.1532550.053*
O140.69993 (7)0.06720 (16)0.41220 (8)0.0307 (4)
H00M0.6609230.0694940.3863200.046*
H00N0.7121630.1409470.4033850.046*
N10.41463 (7)0.22279 (16)0.42162 (8)0.0162 (3)
N20.52862 (7)0.24332 (15)0.47873 (8)0.0150 (3)
N30.39332 (7)0.27406 (16)0.29324 (8)0.0163 (3)
N40.48454 (7)0.41507 (15)0.37156 (8)0.0148 (3)
N50.44518 (7)0.04326 (16)0.35575 (8)0.0170 (3)
N60.53075 (7)0.18096 (16)0.36242 (8)0.0154 (3)
N70.35514 (7)0.16379 (17)0.38745 (8)0.0190 (3)
N80.58616 (7)0.30474 (16)0.50012 (8)0.0165 (3)
N90.33731 (7)0.20469 (16)0.26972 (8)0.0186 (3)
N100.54501 (7)0.46721 (15)0.40384 (8)0.0162 (3)
N110.38492 (7)0.00511 (17)0.32933 (8)0.0197 (3)
N120.58700 (7)0.25184 (16)0.39290 (8)0.0171 (3)
C10.44139 (8)0.22632 (19)0.49052 (10)0.0161 (4)
C20.50845 (8)0.26239 (19)0.52339 (9)0.0160 (4)
C30.38748 (9)0.39944 (19)0.27093 (9)0.0184 (4)
C40.44690 (8)0.47478 (19)0.31130 (9)0.0164 (4)
C50.47741 (8)0.02467 (19)0.33310 (9)0.0165 (4)
C60.53471 (8)0.05244 (19)0.34806 (9)0.0165 (4)
C70.31630 (9)0.2270 (2)0.31928 (10)0.0212 (4)
H01A0.2747870.1919140.2994320.025*
H01B0.3147160.3235970.3259170.025*
C80.57650 (8)0.44681 (19)0.47912 (9)0.0176 (4)
H00I0.5526400.4892200.4973010.021*
H00J0.6161520.4918000.5001960.021*
C90.34453 (9)0.0618 (2)0.26241 (10)0.0222 (4)
H01C0.3613260.0494880.2317840.027*
H01D0.3043730.0189840.2404600.027*
C100.57816 (9)0.39403 (19)0.37480 (10)0.0189 (4)
H00K0.5553320.4026700.3242510.023*
H00L0.6180740.4360270.3917780.023*
C110.36310 (9)0.0196 (2)0.37765 (10)0.0212 (4)
H01G0.3921100.0194960.4226520.025*
H01H0.3239820.0261810.3606280.025*
C120.61777 (8)0.2364 (2)0.46903 (10)0.0186 (4)
H01E0.6208620.1408370.4802630.022*
H01F0.6592660.2720300.4896940.022*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.01409 (13)0.01225 (15)0.01214 (13)0.00028 (10)0.00707 (11)0.00015 (10)
Li10.0260 (18)0.031 (2)0.032 (2)0.0012 (16)0.0170 (17)0.0024 (16)
Li20.0267 (18)0.025 (2)0.0242 (18)0.0035 (15)0.0143 (16)0.0052 (14)
O10.0245 (7)0.0362 (9)0.0220 (7)0.0004 (6)0.0166 (7)0.0002 (6)
O20.0234 (7)0.0315 (9)0.0153 (7)0.0010 (6)0.0094 (6)0.0052 (6)
O30.0247 (8)0.0209 (8)0.0265 (8)0.0012 (6)0.0012 (7)0.0038 (6)
O40.0286 (7)0.0152 (7)0.0164 (7)0.0035 (6)0.0093 (6)0.0027 (5)
O50.0249 (7)0.0157 (8)0.0269 (8)0.0026 (6)0.0133 (7)0.0063 (6)
O60.0240 (7)0.0214 (8)0.0427 (9)0.0018 (6)0.0217 (7)0.0083 (7)
O70.0203 (7)0.0529 (11)0.0271 (8)0.0073 (7)0.0090 (7)0.0051 (7)
O80.0375 (9)0.0247 (9)0.0297 (8)0.0023 (7)0.0182 (8)0.0007 (6)
O90.0380 (9)0.0388 (10)0.0264 (8)0.0154 (8)0.0109 (8)0.0026 (7)
O100.0254 (7)0.0183 (7)0.0179 (7)0.0010 (6)0.0113 (6)0.0015 (5)
O110.0231 (7)0.0243 (8)0.0357 (9)0.0002 (6)0.0117 (7)0.0024 (7)
O120.0307 (9)0.0873 (15)0.0284 (9)0.0030 (10)0.0096 (8)0.0016 (9)
O130.0319 (8)0.0386 (10)0.0213 (8)0.0010 (7)0.0034 (7)0.0017 (7)
O140.0262 (8)0.0350 (9)0.0318 (8)0.0028 (7)0.0153 (7)0.0035 (7)
N10.0129 (7)0.0198 (9)0.0160 (8)0.0002 (6)0.0073 (7)0.0001 (6)
N20.0128 (7)0.0172 (9)0.0141 (8)0.0001 (6)0.0062 (7)0.0005 (6)
N30.0153 (7)0.0164 (9)0.0132 (8)0.0040 (6)0.0043 (7)0.0006 (6)
N40.0153 (7)0.0130 (8)0.0140 (8)0.0013 (6)0.0058 (7)0.0003 (6)
N50.0180 (8)0.0138 (9)0.0211 (8)0.0028 (6)0.0113 (7)0.0015 (6)
N60.0163 (7)0.0144 (8)0.0182 (8)0.0024 (6)0.0107 (7)0.0024 (6)
N70.0146 (7)0.0214 (9)0.0222 (8)0.0026 (6)0.0101 (7)0.0001 (7)
N80.0140 (7)0.0182 (9)0.0150 (8)0.0008 (6)0.0057 (7)0.0008 (6)
N90.0152 (8)0.0214 (9)0.0161 (8)0.0038 (6)0.0055 (7)0.0012 (6)
N100.0156 (7)0.0152 (9)0.0173 (8)0.0027 (6)0.0078 (7)0.0017 (6)
N110.0179 (8)0.0203 (9)0.0219 (8)0.0037 (7)0.0109 (7)0.0025 (7)
N120.0166 (8)0.0172 (9)0.0197 (8)0.0035 (6)0.0107 (7)0.0022 (6)
C10.0193 (9)0.0138 (10)0.0174 (9)0.0029 (7)0.0108 (8)0.0000 (7)
C20.0193 (9)0.0151 (10)0.0135 (9)0.0045 (7)0.0083 (8)0.0029 (7)
C30.0214 (9)0.0181 (11)0.0129 (9)0.0005 (8)0.0067 (8)0.0010 (7)
C40.0219 (9)0.0140 (10)0.0146 (9)0.0017 (7)0.0102 (8)0.0016 (7)
C50.0198 (9)0.0152 (10)0.0144 (9)0.0006 (7)0.0085 (8)0.0011 (7)
C60.0191 (9)0.0167 (10)0.0148 (9)0.0001 (7)0.0094 (8)0.0006 (7)
C70.0144 (9)0.0254 (11)0.0220 (10)0.0000 (8)0.0080 (8)0.0003 (8)
C80.0177 (9)0.0158 (10)0.0151 (9)0.0025 (7)0.0051 (8)0.0033 (7)
C90.0213 (10)0.0228 (11)0.0198 (10)0.0068 (8)0.0085 (9)0.0051 (8)
C100.0218 (9)0.0175 (11)0.0208 (10)0.0036 (8)0.0132 (9)0.0002 (8)
C110.0213 (10)0.0207 (11)0.0251 (10)0.0047 (8)0.0143 (9)0.0005 (8)
C120.0148 (9)0.0197 (11)0.0207 (10)0.0024 (7)0.0084 (8)0.0013 (8)
Geometric parameters (Å, º) top
Fe1—N51.9340 (16)N1—C11.334 (2)
Fe1—N61.9398 (15)N1—N71.432 (2)
Fe1—N11.9405 (15)N2—C21.346 (2)
Fe1—N41.9504 (15)N2—N81.427 (2)
Fe1—N31.9516 (16)N3—C31.328 (3)
Fe1—N21.9572 (15)N3—N91.424 (2)
Li1—O71.957 (4)N4—C41.336 (2)
Li1—O81.979 (4)N4—N101.426 (2)
Li1—O92.011 (4)N5—C51.343 (2)
Li1—O12.178 (4)N5—N111.420 (2)
Li1—N72.419 (4)N6—C61.339 (2)
Li2—O102.003 (4)N6—N121.424 (2)
Li2—O42.020 (4)N7—C71.476 (3)
Li2—O5i2.125 (4)N7—C111.486 (3)
Li2—O2ii2.148 (4)N8—C121.468 (2)
Li2—O1ii2.308 (4)N8—C81.476 (2)
Li2—N102.456 (4)N9—C91.458 (3)
Li2—C42.732 (4)N9—C71.469 (2)
O1—C11.239 (2)N10—C81.469 (2)
O2—C21.236 (2)N10—C101.489 (2)
O3—C31.244 (2)N11—C111.462 (2)
O4—C41.242 (2)N11—C91.480 (3)
O5—C51.232 (2)N12—C101.462 (2)
O6—C61.232 (2)N12—C121.480 (2)
O7—H00E0.8601C1—C21.520 (3)
O7—H00F0.8598C3—C41.512 (3)
O8—H00C0.8596C5—C61.528 (3)
O8—H00D0.8599C7—H01A0.9800
O9—H00G0.8602C7—H01B0.9800
O9—H00H0.8595C8—H00I0.9800
O10—H00A0.8651C8—H00J0.9800
O10—H00B0.8656C9—H01C0.9800
O11—H00O0.8595C9—H01D0.9800
O11—H00P0.8598C10—H00K0.9800
O12—H00S0.8604C10—H00L0.9800
O12—H00T0.8600C11—H01G0.9800
O13—H00Q0.8595C11—H01H0.9800
O13—H00R0.8601C12—H01E0.9800
O14—H00M0.8600C12—H01F0.9800
O14—H00N0.8599
N5—Fe1—N680.87 (6)C6—N6—Fe1117.50 (12)
N5—Fe1—N187.19 (7)N12—N6—Fe1121.81 (11)
N6—Fe1—N1159.22 (7)N1—N7—C7110.58 (15)
N5—Fe1—N4158.28 (7)N1—N7—C11106.97 (14)
N6—Fe1—N486.67 (7)C7—N7—C11109.38 (15)
N1—Fe1—N4109.51 (7)N1—N7—Li1101.98 (13)
N5—Fe1—N386.93 (7)C7—N7—Li1110.93 (14)
N6—Fe1—N3108.74 (7)C11—N7—Li1116.64 (14)
N1—Fe1—N387.37 (7)N2—N8—C12110.73 (14)
N4—Fe1—N380.29 (6)N2—N8—C8109.18 (14)
N5—Fe1—N2110.08 (7)C12—N8—C8109.81 (15)
N6—Fe1—N287.75 (6)N3—N9—C9111.01 (15)
N1—Fe1—N280.43 (6)N3—N9—C7108.86 (14)
N4—Fe1—N286.97 (6)C9—N9—C7110.30 (16)
N3—Fe1—N2158.35 (7)N4—N10—C8110.79 (14)
O7—Li1—O8110.66 (19)N4—N10—C10107.59 (14)
O7—Li1—O991.73 (17)C8—N10—C10109.30 (14)
O8—Li1—O9105.70 (18)N4—N10—Li296.45 (13)
O7—Li1—O186.84 (15)C8—N10—Li2115.13 (14)
O8—Li1—O1111.20 (18)C10—N10—Li2116.61 (14)
O9—Li1—O1141.0 (2)N5—N11—C11111.48 (15)
O7—Li1—N7149.1 (2)N5—N11—C9108.65 (15)
O8—Li1—N798.46 (16)C11—N11—C9110.05 (15)
O9—Li1—N790.03 (15)N6—N12—C10111.91 (15)
O1—Li1—N772.83 (12)N6—N12—C12108.65 (14)
O10—Li2—O498.61 (16)C10—N12—C12109.73 (15)
O10—Li2—O5i91.62 (15)O1—C1—N1128.60 (18)
O4—Li2—O5i87.79 (15)O1—C1—C2120.30 (17)
O10—Li2—O2ii168.6 (2)N1—C1—C2111.04 (16)
O4—Li2—O2ii92.56 (15)O2—C2—N2128.98 (18)
O5i—Li2—O2ii91.13 (14)O2—C2—C1119.85 (16)
O10—Li2—O1ii91.53 (14)N2—C2—C1111.16 (16)
O4—Li2—O1ii163.8 (2)O3—C3—N3128.68 (18)
O5i—Li2—O1ii104.64 (15)O3—C3—C4120.46 (17)
O2ii—Li2—O1ii77.06 (12)N3—C3—C4110.85 (16)
O10—Li2—N1093.96 (15)O4—C4—N4126.82 (18)
O4—Li2—N1072.34 (12)O4—C4—C3121.36 (17)
O5i—Li2—N10159.95 (18)N4—C4—C3111.81 (16)
O2ii—Li2—N1087.18 (13)O4—C4—Li243.45 (12)
O1ii—Li2—N1094.45 (14)N4—C4—Li286.89 (13)
O10—Li2—C4112.06 (15)C3—C4—Li2154.14 (15)
O4—Li2—C425.02 (7)O5—C5—N5127.19 (18)
O5i—Li2—C4107.80 (15)O5—C5—C6121.85 (17)
O2ii—Li2—C477.53 (12)N5—C5—C6110.96 (16)
O1ii—Li2—C4138.76 (16)O6—C6—N6127.65 (18)
N10—Li2—C452.36 (9)O6—C6—C5121.43 (17)
C1—O1—Li1111.59 (16)N6—C6—C5110.92 (15)
C1—O1—Li2ii107.21 (15)N9—C7—N7113.96 (15)
Li1—O1—Li2ii129.77 (15)N9—C7—H01A108.8
C2—O2—Li2ii113.40 (15)N7—C7—H01A108.8
C4—O4—Li2111.52 (16)N9—C7—H01B108.8
C5—O5—Li2iii116.16 (15)N7—C7—H01B108.8
Li1—O7—H00E119.2H01A—C7—H01B107.7
Li1—O7—H00F123.7N10—C8—N8113.91 (15)
H00E—O7—H00F104.5N10—C8—H00I108.8
Li1—O8—H00C123.3N8—C8—H00I108.8
Li1—O8—H00D128.7N10—C8—H00J108.8
H00C—O8—H00D104.5N8—C8—H00J108.8
Li1—O9—H00G127.6H00I—C8—H00J107.7
Li1—O9—H00H124.6N9—C9—N11113.01 (16)
H00G—O9—H00H104.5N9—C9—H01C109.0
Li2—O10—H00A109.3N11—C9—H01C109.0
Li2—O10—H00B109.8N9—C9—H01D109.0
H00A—O10—H00B104.2N11—C9—H01D109.0
H00O—O11—H00P104.5H01C—C9—H01D107.8
H00S—O12—H00T104.5N12—C10—N10113.43 (15)
H00Q—O13—H00R104.5N12—C10—H00K108.9
H00M—O14—H00N104.5N10—C10—H00K108.9
C1—N1—N7114.41 (15)N12—C10—H00L108.9
C1—N1—Fe1118.07 (12)N10—C10—H00L108.9
N7—N1—Fe1122.96 (11)H00K—C10—H00L107.7
C2—N2—N8113.54 (15)N11—C11—N7113.76 (15)
C2—N2—Fe1116.37 (12)N11—C11—H01G108.8
N8—N2—Fe1121.41 (11)N7—C11—H01G108.8
C3—N3—N9114.73 (15)N11—C11—H01H108.8
C3—N3—Fe1117.61 (12)N7—C11—H01H108.8
N9—N3—Fe1121.70 (12)H01G—C11—H01H107.7
C4—N4—N10112.84 (15)N8—C12—N12113.46 (15)
C4—N4—Fe1116.34 (12)N8—C12—H01E108.9
N10—N4—Fe1123.19 (11)N12—C12—H01E108.9
C5—N5—N11113.94 (15)N8—C12—H01F108.9
C5—N5—Fe1117.46 (13)N12—C12—H01F108.9
N11—N5—Fe1122.00 (12)H01E—C12—H01F107.7
C6—N6—N12114.37 (15)
C1—N1—N7—C7147.87 (16)Fe1—N4—C4—O4162.81 (15)
Fe1—N1—N7—C756.60 (19)N10—N4—C4—C3167.76 (14)
C1—N1—N7—C1193.11 (18)Fe1—N4—C4—C317.16 (19)
Fe1—N1—N7—C1162.43 (18)N10—N4—C4—Li230.62 (15)
C1—N1—N7—Li129.85 (19)Fe1—N4—C4—Li2178.77 (11)
Fe1—N1—N7—Li1174.61 (12)O3—C3—C4—O418.6 (3)
C2—N2—N8—C12155.31 (15)N3—C3—C4—O4160.73 (17)
Fe1—N2—N8—C1258.22 (18)O3—C3—C4—N4161.42 (18)
C2—N2—N8—C883.67 (18)N3—C3—C4—N419.2 (2)
Fe1—N2—N8—C862.80 (17)O3—C3—C4—Li227.6 (4)
C3—N3—N9—C9149.01 (16)N3—C3—C4—Li2153.0 (3)
Fe1—N3—N9—C958.87 (18)Li2iii—O5—C5—N5104.0 (2)
C3—N3—N9—C789.40 (19)Li2iii—O5—C5—C675.8 (2)
Fe1—N3—N9—C762.73 (18)N11—N5—C5—O514.6 (3)
C4—N4—N10—C8154.71 (15)Fe1—N5—C5—O5166.75 (16)
Fe1—N4—N10—C857.00 (18)N11—N5—C5—C6165.57 (15)
C4—N4—N10—C1085.87 (17)Fe1—N5—C5—C613.4 (2)
Fe1—N4—N10—C1062.42 (17)N12—N6—C6—O614.4 (3)
C4—N4—N10—Li234.70 (17)Fe1—N6—C6—O6167.09 (16)
Fe1—N4—N10—Li2177.01 (12)N12—N6—C6—C5165.63 (14)
C5—N5—N11—C11151.14 (16)Fe1—N6—C6—C513.0 (2)
Fe1—N5—N11—C1158.11 (19)O5—C5—C6—O616.4 (3)
C5—N5—N11—C987.42 (19)N5—C5—C6—O6163.45 (18)
Fe1—N5—N11—C963.32 (18)O5—C5—C6—N6163.53 (17)
C6—N6—N12—C10149.74 (16)N5—C5—C6—N616.6 (2)
Fe1—N6—N12—C1058.92 (18)N3—N9—C7—N767.7 (2)
C6—N6—N12—C1288.94 (18)C9—N9—C7—N754.3 (2)
Fe1—N6—N12—C1262.40 (17)N1—N7—C7—N964.7 (2)
Li1—O1—C1—N113.6 (3)C11—N7—C7—N952.8 (2)
Li2ii—O1—C1—N1161.0 (2)Li1—N7—C7—N9177.14 (15)
Li1—O1—C1—C2163.46 (17)N4—N10—C8—N864.37 (19)
Li2ii—O1—C1—C216.0 (2)C10—N10—C8—N854.02 (19)
N7—N1—C1—O114.7 (3)Li2—N10—C8—N8172.47 (14)
Fe1—N1—C1—O1171.54 (16)N2—N8—C8—N1067.39 (19)
N7—N1—C1—C2168.01 (15)C12—N8—C8—N1054.19 (19)
Fe1—N1—C1—C211.2 (2)N3—N9—C9—N1166.1 (2)
Li2ii—O2—C2—N2175.26 (19)C7—N9—C9—N1154.7 (2)
Li2ii—O2—C2—C16.0 (2)N5—N11—C9—N967.47 (19)
N8—N2—C2—O213.0 (3)C11—N11—C9—N954.8 (2)
Fe1—N2—C2—O2161.26 (17)N6—N12—C10—N1065.88 (19)
N8—N2—C2—C1165.79 (15)C12—N12—C10—N1054.8 (2)
Fe1—N2—C2—C117.5 (2)N4—N10—C10—N1265.81 (19)
O1—C1—C2—O216.8 (3)C8—N10—C10—N1254.6 (2)
N1—C1—C2—O2160.70 (17)Li2—N10—C10—N12172.70 (14)
O1—C1—C2—N2164.26 (17)N5—N11—C11—N766.5 (2)
N1—C1—C2—N218.2 (2)C9—N11—C11—N754.2 (2)
N9—N3—C3—O314.3 (3)N1—N7—C11—N1166.78 (19)
Fe1—N3—C3—O3167.66 (17)C7—N7—C11—N1153.0 (2)
N9—N3—C3—C4166.41 (15)Li1—N7—C11—N11179.90 (15)
Fe1—N3—C3—C413.1 (2)N2—N8—C12—N1266.67 (19)
Li2—O4—C4—N427.3 (3)C8—N8—C12—N1254.0 (2)
Li2—O4—C4—C3152.74 (17)N6—N12—C12—N867.94 (19)
N10—N4—C4—O412.2 (3)C10—N12—C12—N854.7 (2)
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z+1; (iii) x, y1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O7—H00E···O10ii0.861.872.715 (2)167
O7—H00F···O8iv0.862.082.921 (2)164
O8—H00C···O14v0.861.902.759 (2)175
O8—H00D···O13vi0.861.972.812 (2)167
O9—H00G···O11vi0.861.972.827 (2)176
O9—H00H···O14vii0.862.022.881 (2)177
O10—H00A···O6i0.872.002.768 (2)147
O10—H00B···O4viii0.871.972.8301 (18)178
O11—H00O···O30.862.052.844 (2)154
O12—H00S···O110.861.972.828 (2)177
O13—H00Q···O12vi0.861.882.736 (3)177
O13—H00R···O30.861.932.767 (2)165
O14—H00M···O60.861.982.784 (2)155
O14—H00N···O13viii0.862.012.867 (2)176
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z+1; (iv) x+1/2, y+1/2, z+1; (v) x+1, y, z+1; (vi) x+1/2, y1/2, z+1/2; (vii) x1/2, y+1/2, z; (viii) x+1, y, z+1/2.
Selected geometric parameters (Å, °) top
Fe1—N11.9405 (15)N5—Fe1—N680.87 (8)
Fe1—N21.9572 (15)N1···N32.688 (3)
Fe1—N31.9516 (16)N1···N32.672 (3)
Fe1—N41.9504 (16)N3···N52.673 (2)
Fe1—N51.9340 (16)N2···N42.689 (2)
Fe1—N61.9398 (15)N2···N62.701 (3)
N1—Fe1—N280.43 (6)N4···N62.670 (2)
N3—Fe1—N480.29 (6)
 

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