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The two Cd atoms of the cation of the title compound, [Cd2(NO3)2(C6H12N4)2](NO3)2, are both N,N′,N′′,N′′′-chelated by the tren ligands, and both are also O,O′-chelated by the nitrato groups. Of these two nitro groups, one uses its third O atom to bind to the other Cd atom so that one Cd atom is six-coordinate whereas the other is seven-coordinate.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803016519/bt6317sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803016519/bt6317Isup2.hkl
Contains datablock I

CCDC reference: 221665

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.009 Å
  • Disorder in solvent or counterion
  • R factor = 0.036
  • wR factor = 0.085
  • Data-to-parameter ratio = 17.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_302 Alert C Anion/Solvent Disorder ......................... 43.00 Perc. PLAT_420 Alert C D-H Without Acceptor N7 - H7N1 ... ? PLAT_420 Alert C D-H Without Acceptor N9 - H9N1 ... ? PLAT_420 Alert C D-H Without Acceptor N9 - H9N2 ... ? PLAT_726 Alert C H...A Calc 2.19853, Rep 2.21000, Dev.. 0.01 Ang. H2N1 -O8' 1.555 1.555 PLAT_726 Alert C H...A Calc 2.75025, Rep 2.74000, Dev.. 0.01 Ang. H9N1 -O7 1.555 2.665 General Notes
REFLT_03 From the CIF: _diffrn_reflns_theta_max 27.40 From the CIF: _reflns_number_total 6164 Count of symmetry unique reflns 3317 Completeness (_total/calc) 185.83% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2847 Fraction of Friedel pairs measured 0.858 Are heavy atom types Z>Si present yes Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF.
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
6 Alert Level C = Please check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

µ-Nitrato-nitratobis[tris(2-aminoethyl)amine]dicadmium(II) dinitrate top
Crystal data top
[Cd2(NO3)2(C6H12N4)2](NO3)2Dx = 1.859 Mg m3
Mr = 765.33Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pna21Cell parameters from 954 reflections
a = 24.172 (3) Åθ = 2.9–23.0°
b = 13.365 (1) ŵ = 1.63 mm1
c = 8.463 (1) ÅT = 298 K
V = 2733.9 (5) Å3Parallelepiped, light yellow
Z = 40.25 × 0.13 × 0.11 mm
F(000) = 1536
Data collection top
Bruker SMART area-detector
diffractometer
6164 independent reflections
Radiation source: fine-focus sealed tube4101 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.047
φ and ω scansθmax = 27.4°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 3129
Tmin = 0.654, Tmax = 0.833k = 1717
23153 measured reflectionsl = 1010
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.036H-atom parameters constrained
wR(F2) = 0.085 w = 1/[σ2(Fo2) + (0.0369P)2 + 0.7195P]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.001
6164 reflectionsΔρmax = 0.48 e Å3
361 parametersΔρmin = 0.40 e Å3
182 restraintsAbsolute structure: Flack (1983), 2850 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.00 (3)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Cd10.68673 (1)0.42386 (3)0.49993 (7)0.0502 (1)
Cd20.47977 (4)0.66661 (3)0.51563 (6)0.0459 (1)
O10.5905 (2)0.3825 (3)0.5319 (9)0.073 (2)
O20.6049 (2)0.5405 (3)0.5331 (7)0.061 (1)
O30.5208 (1)0.4834 (3)0.5445 (7)0.065 (2)
O40.4084 (2)0.5485 (4)0.6479 (7)0.067 (2)
O50.4164 (2)0.5472 (4)0.3977 (7)0.067 (2)
O60.3628 (2)0.4400 (3)0.5112 (9)0.068 (1)
O70.597 (2)0.166 (2)0.390 (2)0.113 (6)0.50
O80.614 (2)0.133 (2)0.629 (4)0.123 (3)0.50
O90.5310 (5)0.141 (2)0.549 (6)0.096 (5)0.50
O7'0.590 (2)0.130 (2)0.384 (2)0.113 (6)0.50
O8'0.618 (1)0.141 (2)0.620 (4)0.123 (3)0.50
O9'0.5338 (6)0.170 (2)0.565 (6)0.096 (5)0.50
O100.7116 (7)0.311 (2)0.084 (4)0.125 (5)0.50
O110.7814 (9)0.217 (2)0.059 (4)0.126 (6)0.50
O120.724 (1)0.232 (2)0.129 (1)0.168 (9)0.50
O10'0.6980 (6)0.293 (2)0.059 (3)0.125 (5)0.50
O11'0.771 (1)0.208 (2)0.092 (3)0.126 (6)0.50
O12'0.749 (1)0.259 (2)0.136 (1)0.168 (9)0.50
N10.7878 (2)0.4128 (3)0.4930 (6)0.043 (1)
N20.7033 (2)0.2634 (4)0.4288 (7)0.067 (2)
N30.7110 (2)0.5341 (4)0.3102 (6)0.059 (1)
N40.7134 (3)0.4629 (5)0.7493 (6)0.073 (2)
N50.5718 (2)0.4694 (4)0.5371 (7)0.054 (2)
N60.5351 (2)0.8194 (3)0.5264 (7)0.048 (1)
N70.5320 (3)0.6666 (5)0.2913 (7)0.070 (2)
N80.4179 (2)0.7930 (5)0.467 (1)0.110 (4)
N90.5109 (3)0.6730 (5)0.7690 (6)0.071 (2)
N100.3952 (2)0.5111 (3)0.520 (1)0.049 (1)
N110.5807 (2)0.1465 (2)0.5229 (8)0.079 (2)
N120.7391 (2)0.2537 (3)0.0052 (7)0.083 (2)
C10.7593 (2)0.2359 (4)0.4764 (9)0.062 (2)
C20.8003 (2)0.3136 (4)0.4301 (8)0.055 (2)
C30.7662 (3)0.5107 (7)0.2532 (8)0.061 (2)
C40.8055 (2)0.4934 (5)0.3869 (7)0.055 (2)
C50.7709 (3)0.4949 (6)0.7493 (8)0.066 (3)
C60.8068 (3)0.4250 (5)0.6574 (7)0.059 (2)
C70.5702 (3)0.7479 (6)0.2752 (8)0.066 (2)
C80.5815 (3)0.8025 (7)0.4209 (9)0.097 (3)
C90.4415 (2)0.8896 (4)0.502 (1)0.083 (2)
C100.5001 (3)0.8979 (5)0.463 (2)0.136 (6)
C110.5569 (3)0.7411 (6)0.7859 (9)0.066 (2)
C120.5528 (4)0.8321 (6)0.6873 (8)0.089 (3)
H2n10.67870.22260.47570.081*
H2n20.69970.25680.32340.081*
H3n10.68670.53090.22970.071*
H3n20.71040.59660.34950.071*
H4n10.69190.51230.78730.087*
H4n20.70940.40910.81240.087*
H7n10.55110.60890.28750.084*
H7n20.50900.66740.20760.084*
H8n10.40750.79110.36480.132*
H8n20.38750.78380.52670.132*
H9n10.48320.69260.83280.086*
H9n20.52150.61130.79940.086*
H1a0.76920.17270.42740.075*
H1b0.76040.22680.59010.075*
H2a0.83660.29340.46690.066*
H2b0.80170.31750.31570.066*
H3a0.77960.56560.18870.074*
H3b0.76470.45130.18750.074*
H4a0.84160.47700.34430.066*
H4b0.80920.55470.44720.066*
H5a0.78420.49840.85730.080*
H5b0.77350.56130.70380.080*
H6a0.84440.45020.65710.071*
H6b0.80700.36010.70900.071*
H7a0.55570.79450.19760.080*
H7b0.60480.72190.23440.080*
H8a0.60970.76620.47890.116*
H8b0.59700.86710.39280.116*
H9a0.43670.90340.61340.099*
H9b0.42130.94030.44340.099*
H10a0.50390.89820.34880.163*
H10b0.51360.96170.50160.163*
H11a0.59070.70600.75870.079*
H11b0.55970.76100.89580.079*
H12a0.52730.87780.73850.107*
H12b0.58880.86410.68600.107*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.0321 (2)0.0566 (2)0.0617 (2)0.0034 (2)0.0059 (3)0.0010 (4)
Cd20.0360 (2)0.0551 (2)0.0465 (2)0.0107 (2)0.0002 (3)0.0003 (3)
O10.047 (2)0.051 (2)0.121 (4)0.008 (2)0.003 (4)0.014 (3)
O20.040 (1)0.064 (2)0.079 (4)0.008 (2)0.005 (3)0.011 (3)
O30.030 (2)0.064 (2)0.100 (5)0.006 (2)0.001 (2)0.002 (3)
O40.056 (3)0.090 (5)0.055 (3)0.014 (3)0.005 (2)0.005 (3)
O50.060 (3)0.082 (4)0.060 (3)0.025 (3)0.002 (2)0.016 (3)
O60.059 (2)0.070 (2)0.075 (3)0.026 (2)0.002 (4)0.000 (4)
O70.11 (1)0.15 (2)0.083 (5)0.06 (1)0.021 (5)0.039 (6)
O80.086 (6)0.168 (8)0.115 (6)0.009 (5)0.015 (5)0.046 (5)
O90.074 (4)0.07 (2)0.14 (1)0.026 (4)0.010 (5)0.01 (1)
O7'0.11 (1)0.15 (2)0.083 (5)0.06 (1)0.021 (5)0.039 (6)
O8'0.086 (6)0.168 (8)0.115 (6)0.009 (5)0.015 (5)0.046 (5)
O9'0.074 (4)0.07 (2)0.14 (1)0.026 (4)0.010 (5)0.01 (1)
O100.084 (8)0.18 (1)0.12 (1)0.003 (9)0.034 (8)0.080 (6)
O110.114 (8)0.149 (8)0.12 (1)0.013 (7)0.008 (9)0.008 (6)
O120.34 (3)0.09 (2)0.081 (6)0.01 (2)0.028 (8)0.013 (6)
O10'0.084 (8)0.18 (1)0.12 (1)0.003 (9)0.034 (8)0.080 (6)
O11'0.114 (8)0.149 (8)0.12 (1)0.013 (7)0.008 (9)0.008 (6)
O12'0.34 (3)0.09 (2)0.081 (6)0.01 (2)0.028 (8)0.013 (6)
N10.034 (2)0.047 (2)0.046 (3)0.006 (2)0.002 (3)0.001 (3)
N20.053 (3)0.059 (3)0.090 (4)0.013 (3)0.016 (3)0.014 (3)
N30.051 (3)0.064 (4)0.062 (3)0.001 (3)0.015 (3)0.007 (3)
N40.081 (4)0.093 (5)0.045 (3)0.040 (4)0.012 (3)0.004 (3)
N50.040 (3)0.063 (3)0.058 (4)0.005 (2)0.002 (3)0.001 (3)
N60.038 (2)0.045 (2)0.061 (3)0.005 (2)0.004 (4)0.003 (3)
N70.081 (5)0.081 (5)0.049 (3)0.021 (4)0.014 (3)0.015 (3)
N80.046 (3)0.109 (5)0.18 (1)0.012 (3)0.001 (5)0.044 (6)
N90.089 (5)0.088 (5)0.037 (3)0.037 (4)0.000 (3)0.004 (3)
N100.028 (2)0.060 (3)0.059 (3)0.006 (2)0.006 (4)0.004 (5)
N110.066 (4)0.083 (4)0.086 (5)0.024 (3)0.010 (6)0.014 (5)
N120.128 (6)0.069 (4)0.052 (4)0.003 (4)0.007 (6)0.014 (5)
C10.065 (4)0.049 (3)0.072 (6)0.008 (3)0.012 (4)0.008 (4)
C20.044 (3)0.060 (4)0.061 (4)0.010 (3)0.007 (3)0.004 (3)
C30.057 (5)0.075 (6)0.052 (4)0.013 (4)0.003 (4)0.022 (4)
C40.034 (3)0.059 (4)0.071 (4)0.007 (3)0.006 (3)0.009 (3)
C50.085 (7)0.067 (6)0.047 (4)0.013 (5)0.014 (4)0.007 (4)
C60.056 (4)0.059 (4)0.063 (4)0.005 (4)0.009 (3)0.004 (4)
C70.052 (4)0.070 (5)0.077 (5)0.004 (4)0.029 (4)0.002 (5)
C80.084 (6)0.113 (7)0.094 (6)0.054 (5)0.034 (5)0.017 (6)
C90.081 (5)0.082 (5)0.085 (5)0.036 (4)0.011 (7)0.007 (7)
C100.088 (6)0.049 (4)0.272 (19)0.002 (4)0.001 (9)0.023 (8)
C110.058 (5)0.076 (6)0.064 (5)0.012 (4)0.005 (4)0.004 (4)
C120.104 (7)0.100 (7)0.065 (5)0.069 (5)0.023 (5)0.000 (5)
Geometric parameters (Å, º) top
Cd1—N12.447 (4)C1—C21.488 (6)
Cd1—N22.263 (5)C3—C41.495 (6)
Cd1—N32.257 (5)C5—C61.492 (6)
Cd1—N42.268 (6)C7—C81.459 (7)
Cd1—O12.407 (4)C9—C101.457 (7)
Cd1—O22.534 (4)C11—C121.478 (7)
Cd2—N62.442 (4)N2—H2n10.90
Cd2—N72.280 (6)N2—H2n20.90
Cd2—N82.294 (6)N3—H3n10.90
Cd2—N92.274 (6)N3—H3n20.90
Cd2—O32.654 (4)N4—H4n10.90
Cd2—O42.593 (5)N4—H4n20.90
Cd2—O52.426 (5)N7—H7n10.90
O1—N51.246 (6)N7—H7n20.90
O2—N51.244 (5)N8—H8n10.90
O3—N51.247 (5)N8—H8n20.90
O4—N101.238 (8)N9—H9n10.90
O5—N101.248 (8)N9—H9n20.90
O6—N101.234 (5)C1—H1a0.97
O7—N111.221 (7)C1—H1b0.97
O8—N111.217 (7)C2—H2a0.97
O9—N111.224 (7)C2—H2b0.97
O7'—N111.218 (7)C3—H3a0.97
O8'—N111.218 (7)C3—H3b0.97
O9'—N111.226 (7)C4—H4a0.97
O10—N121.215 (7)C4—H4b0.97
O11—N121.221 (7)C5—H5a0.97
O12—N121.225 (7)C5—H5b0.97
O10'—N121.213 (7)C6—H6a0.97
O11'—N121.223 (7)C6—H6b0.97
O12'—N121.223 (7)C7—H7a0.97
N1—C21.460 (5)C7—H7b0.97
N1—C41.467 (6)C8—H8a0.97
N1—C61.474 (6)C8—H8b0.97
N2—C11.459 (6)C9—H9a0.97
N3—C31.453 (6)C9—H9b0.97
N4—C51.455 (6)C10—H10a0.97
N6—C121.438 (6)C10—H10b0.97
N6—C101.450 (6)C11—H11a0.97
N6—C81.452 (6)C11—H11b0.97
N7—C71.433 (6)C12—H12a0.97
N8—C91.443 (6)C12—H12b0.97
N9—C111.444 (6)
N1—Cd1—N276.1 (2)Cd1—N2—H2n1109.8
N1—Cd1—N376.3 (2)C1—N2—H2n2109.8
N1—Cd1—N475.7 (2)Cd1—N2—H2n2109.8
N1—Cd1—O1162.5 (1)H2n1—N2—H2n2108.3
N1—Cd1—O2145.0 (1)C3—N3—H3n1109.8
N2—Cd1—N3112.5 (2)Cd1—N3—H3n1109.8
N2—Cd1—N4114.5 (2)C3—N3—H3n2109.8
N2—Cd1—O189.1 (2)Cd1—N3—H3n2109.8
N2—Cd1—O2138.7 (2)H3n1—N3—H3n2108.2
N3—Cd1—N4116.0 (3)C5—N4—H4n1109.7
N3—Cd1—O1118.8 (2)Cd1—N4—H4n1109.7
N3—Cd1—O283.1 (2)C5—N4—H4n2109.7
N4—Cd1—O1102.9 (3)Cd1—N4—H4n2109.7
N4—Cd1—O288.7 (2)H4n1—N4—H4n2108.2
O1—Cd1—O251.3 (1)C7—N7—H7n1108.3
N6—Cd2—N774.2 (2)Cd2—N7—H7n1108.3
N6—Cd2—N875.4 (2)C7—N7—H7n2108.3
N6—Cd2—N975.7 (2)Cd2—N7—H7n2108.3
N6—Cd2—O3124.3 (1)H7n1—N7—H7n2107.4
N6—Cd2—O4149.0 (2)C9—N8—H8n1109.4
N6—Cd2—O5155.6 (2)Cd2—N8—H8n1109.4
N7—Cd2—N8102.2 (3)C9—N8—H8n2109.4
N7—Cd2—N9127.0 (2)Cd2—N8—H8n2109.4
N7—Cd2—O382.5 (2)H8n1—N8—H8n2108.0
N7—Cd2—O4136.7 (2)C11—N9—H9n1109.2
N7—Cd2—O590.4 (2)Cd2—N9—H9n1109.2
N8—Cd2—N9111.0 (3)C11—N9—H9n2109.2
N8—Cd2—O3160.1 (2)Cd2—N9—H9n2109.2
N8—Cd2—O495.3 (2)H9n1—N9—H9n2107.9
N8—Cd2—O589.9 (2)N2—C1—H1a109.3
N9—Cd2—O379.8 (2)C2—C1—H1a109.3
N9—Cd2—O480.6 (2)N2—C1—H1b109.3
N9—Cd2—O5128.4 (2)C2—C1—H1b109.3
O3—Cd2—O469.3 (2)H1a—C1—H1b108.0
O3—Cd2—O570.6 (2)N1—C2—H2a108.9
O4—Cd2—O550.0 (1)C1—C2—H2a108.9
N5—O1—Cd198.1 (3)N1—C2—H2b108.9
N5—O2—Cd192.0 (3)C1—C2—H2b108.9
N5—O3—Cd2120.2 (3)H2a—C2—H2b107.7
N10—O4—Cd292.1 (4)N3—C3—H3a109.3
N10—O5—Cd2100.0 (4)C4—C3—H3a109.3
C2—N1—C4112.5 (5)N3—C3—H3b109.3
C2—N1—C6112.3 (4)C4—C3—H3b109.3
C4—N1—C6113.9 (5)H3a—C3—H3b108.0
C2—N1—Cd1105.7 (3)N1—C4—H4a109.0
C4—N1—Cd1105.2 (3)C3—C4—H4a109.0
C6—N1—Cd1106.4 (3)N1—C4—H4b109.0
C1—N2—Cd1109.3 (4)C3—C4—H4b109.0
C3—N3—Cd1109.6 (4)H4a—C4—H4b107.8
C5—N4—Cd1109.8 (4)N4—C5—H5a109.3
O2—N5—O1118.5 (4)C6—C5—H5a109.3
O2—N5—O3121.5 (5)N4—C5—H5b109.3
O1—N5—O3120.0 (5)C6—C5—H5b109.3
C12—N6—C10116.0 (8)H5a—C5—H5b107.9
C12—N6—C8111.7 (6)N1—C6—H6a109.1
C10—N6—C8109.6 (7)C5—C6—H6a109.1
C12—N6—Cd2107.3 (4)N1—C6—H6b109.1
C10—N6—Cd2105.8 (4)C5—C6—H6b109.1
C8—N6—Cd2105.7 (4)H6a—C6—H6b107.9
C7—N7—Cd2115.9 (4)N7—C7—H7a108.6
C9—N8—Cd2111.3 (4)C8—C7—H7a108.6
C11—N9—Cd2111.8 (4)N7—C7—H7b108.6
O6—N10—O4121.5 (8)C8—C7—H7b108.6
O6—N10—O5120.8 (8)H7a—C7—H7b107.5
O4—N10—O5117.6 (4)N6—C8—H8a108.1
O8—N11—O7120.4 (7)C7—C8—H8a108.1
O8—N11—O9120.3 (7)N6—C8—H8b108.1
O7—N11—O9119.3 (7)C7—C8—H8b108.1
O8'—N11—O7'120.8 (7)H8a—C8—H8b107.3
O8'—N11—O9'119.8 (7)N8—C9—H9a108.7
O7'—N11—O9'119.4 (7)C10—C9—H9a108.7
O10—N12—O11120.6 (7)N8—C9—H9b108.7
O10—N12—O12119.8 (7)C10—C9—H9b108.7
O11—N12—O12119.6 (7)H9a—C9—H9b107.6
O10'—N12—O11'120.4 (7)N6—C10—H10a108.4
O10'—N12—O12'120.2 (7)C9—C10—H10a108.4
O11'—N12—O12'119.4 (7)N6—C10—H10b108.4
N2—C1—C2111.6 (5)C9—C10—H10b108.4
N1—C2—C1113.6 (4)H10a—C10—H10b107.5
N3—C3—C4111.4 (5)N9—C11—H11a108.7
N1—C4—C3113.0 (5)C12—C11—H11a108.7
N4—C5—C6111.8 (6)N9—C11—H11b108.7
N1—C6—C5112.3 (5)C12—C11—H11b108.7
N7—C7—C8114.8 (6)H11a—C11—H11b107.6
N6—C8—C7116.9 (6)N6—C12—H12a108.0
N8—C9—C10114.1 (6)C11—C12—H12a108.0
N6—C10—C9115.3 (6)N6—C12—H12b108.0
N9—C11—C12114.2 (6)C11—C12—H12b108.0
N6—C12—C11117.2 (6)H12a—C12—H12b107.2
C1—N2—H2n1109.8
N3—Cd1—O1—N550.2 (6)O5—Cd2—N6—C12167.2 (6)
N2—Cd1—O1—N5165.5 (6)O4—Cd2—N6—C1236.8 (6)
N4—Cd1—O1—N579.5 (6)O3—Cd2—N6—C1271.0 (5)
N1—Cd1—O1—N5162.7 (5)N9—Cd2—N6—C10128.7 (7)
O2—Cd1—O1—N51.9 (5)N7—Cd2—N6—C1095.5 (7)
N3—Cd1—O2—N5134.1 (5)N8—Cd2—N6—C1012.0 (7)
N2—Cd1—O2—N517.5 (6)O5—Cd2—N6—C1042.8 (8)
N4—Cd1—O2—N5109.6 (5)O4—Cd2—N6—C1087.6 (7)
O1—Cd1—O2—N51.8 (4)O3—Cd2—N6—C10164.6 (6)
N1—Cd1—O2—N5171.9 (4)N9—Cd2—N6—C8115.1 (5)
N9—Cd2—O3—N577.4 (5)N7—Cd2—N6—C820.7 (5)
N7—Cd2—O3—N552.4 (5)N8—Cd2—N6—C8128.2 (6)
N8—Cd2—O3—N5157.7 (8)O5—Cd2—N6—C873.4 (6)
O5—Cd2—O3—N5145.4 (6)O4—Cd2—N6—C8156.2 (5)
N6—Cd2—O3—N512.7 (6)O3—Cd2—N6—C848.4 (6)
O4—Cd2—O3—N5161.1 (6)N9—Cd2—N7—C754.7 (6)
N9—Cd2—O4—N10161.4 (4)N8—Cd2—N7—C773.7 (6)
N7—Cd2—O4—N1025.9 (5)O5—Cd2—N7—C7163.7 (6)
N8—Cd2—O4—N1088.2 (4)N6—Cd2—N7—C72.9 (5)
O5—Cd2—O4—N102.7 (3)O4—Cd2—N7—C7174.8 (5)
N6—Cd2—O4—N10158.4 (3)O3—Cd2—N7—C7126.0 (6)
O3—Cd2—O4—N1078.8 (4)N9—Cd2—N8—C955.9 (8)
N9—Cd2—O5—N1017.5 (5)N7—Cd2—N8—C982.0 (8)
N7—Cd2—O5—N10158.1 (4)O5—Cd2—N8—C9172.4 (8)
N8—Cd2—O5—N1099.7 (4)N6—Cd2—N8—C912.1 (7)
N6—Cd2—O5—N10151.9 (3)O4—Cd2—N8—C9137.9 (7)
O4—Cd2—O5—N102.7 (3)O3—Cd2—N8—C9176.1 (6)
O3—Cd2—O5—N1076.2 (4)N7—Cd2—N9—C1140.0 (6)
N3—Cd1—N1—C2111.5 (4)N8—Cd2—N9—C1184.9 (6)
N2—Cd1—N1—C26.3 (4)O5—Cd2—N9—C11167.5 (5)
N4—Cd1—N1—C2126.6 (4)N6—Cd2—N9—C1117.0 (5)
O1—Cd1—N1—C239.1 (9)O4—Cd2—N9—C11176.9 (6)
O2—Cd1—N1—C2167.3 (4)O3—Cd2—N9—C11112.6 (6)
N3—Cd1—N1—C47.7 (4)Cd2—O4—N10—O6174.8 (4)
N2—Cd1—N1—C4125.5 (4)Cd2—O4—N10—O54.6 (4)
N4—Cd1—N1—C4114.2 (4)Cd2—O5—N10—O6174.4 (4)
O1—Cd1—N1—C4158.4 (7)Cd2—O5—N10—O45.0 (5)
O2—Cd1—N1—C448.0 (6)Cd1—N2—C1—C247.3 (6)
N3—Cd1—N1—C6128.9 (4)C4—N1—C2—C1147.7 (5)
N2—Cd1—N1—C6113.3 (4)C6—N1—C2—C182.1 (6)
N4—Cd1—N1—C67.0 (4)Cd1—N1—C2—C133.5 (6)
O1—Cd1—N1—C680.4 (8)N2—C1—C2—N156.7 (7)
O2—Cd1—N1—C673.1 (5)Cd1—N3—C3—C447.1 (7)
N3—Cd1—N2—C189.6 (4)C2—N1—C4—C379.6 (7)
N4—Cd1—N2—C145.7 (5)C6—N1—C4—C3151.1 (5)
O1—Cd1—N2—C1149.5 (4)Cd1—N1—C4—C335.0 (6)
N1—Cd1—N2—C121.1 (4)N3—C3—C4—N157.7 (9)
O2—Cd1—N2—C1164.5 (4)Cd1—N4—C5—C647.6 (7)
N2—Cd1—N3—C348.0 (5)C2—N1—C6—C5149.1 (6)
N4—Cd1—N3—C386.6 (5)C4—N1—C6—C581.5 (6)
O1—Cd1—N3—C3149.9 (4)Cd1—N1—C6—C533.9 (6)
N1—Cd1—N3—C320.4 (5)N4—C5—C6—N156.8 (8)
O2—Cd1—N3—C3171.8 (5)Cd2—N7—C7—C816.4 (9)
N3—Cd1—N4—C545.8 (6)C12—N6—C8—C7154.6 (7)
N2—Cd1—N4—C587.8 (5)C10—N6—C8—C775.4 (9)
O1—Cd1—N4—C5177.2 (5)Cd2—N6—C8—C738.2 (9)
N1—Cd1—N4—C520.8 (4)N7—C7—C8—N639 (1)
O2—Cd1—N4—C5127.6 (5)Cd2—N8—C9—C1036 (1)
Cd1—O2—N5—O13.2 (8)C12—N6—C10—C983 (1)
Cd1—O2—N5—O3176.2 (6)C8—N6—C10—C9149.6 (9)
Cd1—O1—N5—O23.4 (8)Cd2—N6—C10—C936 (1)
Cd1—O1—N5—O3176.0 (6)N8—C9—C10—N651 (1)
Cd2—O3—N5—O27.8 (9)Cd2—N9—C11—C1236.9 (9)
Cd2—O3—N5—O1171.5 (6)C10—N6—C12—C11143.6 (7)
N9—Cd2—N6—C124.2 (5)C8—N6—C12—C1189.8 (8)
N7—Cd2—N6—C12140.1 (5)Cd2—N6—C12—C1125.6 (8)
N8—Cd2—N6—C12112.4 (6)N9—C11—C12—N644 (1)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2n1···O70.902.252.91 (3)130
N2—H2n1···O80.902.363.25 (4)172
N2—H2n1···O70.902.603.30 (3)135
N2—H2n1···O80.902.213.10 (4)171
N2—H2n2···O100.902.183.00 (3)151
N2—H2n2···O100.902.293.16 (3)162
N3—H3n1···O6i0.902.243.11 (1)165
N3—H3n2···O11ii0.902.403.23 (3)153
N3—H3n2···O11ii0.902.573.36 (3)146
N3—H3n2···O12ii0.902.413.11 (3)136
N3—H3n2···O12ii0.902.393.19 (3)149
N4—H4n1···O6iii0.902.403.16 (1)143
N4—H4n2···O10iv0.902.643.48 (4)155
N4—H4n2···O10iv0.902.613.49 (4)163
N4—H4n2···O12iv0.902.453.27 (3)151
N4—H4n2···O12iv0.902.263.02 (3)141
N7—H7n1···O20.902.623.18 (1)122
N7—H7n2···O3i0.902.553.16 (1)126
N7—H7n1···O4i0.902.603.44 (1)154
N8—H8n1···O8i0.902.343.18 (5)155
N8—H8n2···O10iii0.902.333.13 (2)148
N9—H9n1···O7iii0.902.743.52 (5)146
N9—H9n2···O3iii0.902.643.22 (1)124
N9—H9n1···O9iii0.902.723.44 (5)138
Symmetry codes: (i) x+1, y+1, z1/2; (ii) x+3/2, y+1/2, z+1/2; (iii) x+1, y+1, z+1/2; (iv) x, y, z+1.
 

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