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In the title complex, [Cu(C14H37N6)](ClO4)3, the CuII atom adopts a slightly distorted trigonal bipyramidal coordination and one amino group in the complex is protonated. The Cu—N bond distances in the equatorial plane are in the range 2.074 (4)–2.173 (4) Å. Two N atoms occupy the axial positions with Cu—N contacts of 2.048 (3) and 2.056 (3) Å. All of the perchlorate anions are disordered. In the crystal structure, there are many N—H...O inter­molecular hydrogen bonds between cations and anions, forming a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806025839/at2053sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806025839/at2053Isup2.hkl
Contains datablock I

CCDC reference: 618109

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.007 Å
  • Disorder in solvent or counterion
  • R factor = 0.060
  • wR factor = 0.146
  • Data-to-parameter ratio = 11.2

checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

[N,N,N'-Tris(3-aminopropyl)-N'-(3-ammoniopropyl)ethane-1,2-diamine]copper(II) tris(perchlorate) top
Crystal data top
[Cu(C14H37N6)](ClO4)3F(000) = 1356
Mr = 651.39Dx = 1.634 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 1517 reflections
a = 9.3315 (11) Åθ = 2.0–25.3°
b = 18.131 (2) ŵ = 1.19 mm1
c = 15.8484 (18) ÅT = 298 K
β = 99.092 (2)°Needle, blue
V = 2647.7 (5) Å30.30 × 0.10 × 0.08 mm
Z = 4
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
5180 independent reflections
Radiation source: sealed tube4129 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.039
φ and ω scansθmax = 26.0°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 1111
Tmin = 0.716, Tmax = 0.911k = 2122
14355 measured reflectionsl = 1519
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)] = 0.060Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.146H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.08P)2 + 1.99P]
where P = (Fo2 + 2Fc2)/3
5180 reflections(Δ/σ)max < 0.001
464 parametersΔρmax = 0.48 e Å3
174 restraintsΔρmin = 0.65 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.5039 (5)0.3500 (3)0.7152 (3)0.0445 (11)
H1A0.48590.35460.65340.053*
H1B0.42980.37830.73740.053*
C20.4884 (5)0.2700 (2)0.7383 (3)0.0385 (10)
H2A0.51540.26460.79960.046*
H2B0.38720.25590.72350.046*
C30.5792 (5)0.2182 (3)0.6945 (3)0.0491 (12)
H3A0.55550.16770.70710.059*
H3B0.55670.22520.63320.059*
C40.8061 (6)0.3215 (2)0.5035 (3)0.0415 (10)
H4A0.70200.31600.50030.050*
H4B0.83520.29540.45550.050*
C50.8431 (5)0.4023 (3)0.4980 (3)0.0426 (11)
H5A0.79940.42060.44240.051*
H5B0.94750.40690.50180.051*
C60.7947 (5)0.4509 (3)0.5657 (3)0.0467 (11)
H6A0.81440.50170.55230.056*
H6B0.69030.44590.56170.056*
C71.0198 (5)0.4548 (3)0.6685 (3)0.0437 (11)
H7A1.06140.43090.62330.052*
H7B1.02870.50760.66080.052*
C81.1108 (6)0.4348 (3)0.7514 (3)0.0468 (12)
H8A1.06750.45670.79720.056*
H8B1.20580.45690.75290.056*
C91.1313 (5)0.3534 (3)0.7697 (3)0.0406 (10)
H9A1.15990.32930.72020.049*
H9B1.20920.34680.81740.049*
C100.7911 (5)0.4867 (2)0.7135 (3)0.0345 (9)
H10A0.85060.48820.76950.041*
H10B0.78580.53640.69040.041*
C110.6471 (6)0.4620 (3)0.7219 (3)0.0467 (11)
H11A0.58330.46850.66790.056*
H11B0.60990.49180.76450.056*
C120.6849 (5)0.3778 (2)0.8414 (3)0.0328 (9)
H12A0.77740.40230.85810.039*
H12B0.69920.32610.85610.039*
C130.5780 (5)0.4094 (3)0.8958 (3)0.0357 (9)
H13A0.59160.46240.90040.043*
H13B0.47980.40040.86720.043*
C140.5954 (5)0.3770 (3)0.9838 (3)0.0457 (11)
H14A0.52830.40111.01580.055*
H14B0.57010.32510.97940.055*
Cl10.71595 (18)0.67798 (9)0.52118 (10)0.0392 (15)0.852 (6)
Cl20.8357 (3)0.58682 (11)0.97950 (15)0.0387 (13)0.780 (13)
Cl30.3691 (2)0.62631 (9)0.76560 (13)0.0347 (6)0.741 (5)
Cl1'0.7230 (11)0.6815 (6)0.5201 (5)0.047 (10)0.148 (6)
Cl2'0.8301 (12)0.5897 (4)0.9852 (7)0.045 (5)0.220 (13)
Cl3'0.3453 (7)0.6246 (3)0.7469 (4)0.049 (3)0.259 (5)
Cu10.81160 (5)0.33207 (3)0.69232 (3)0.03006 (16)
N10.6472 (4)0.3829 (2)0.7475 (2)0.0379 (8)
N21.0020 (4)0.3186 (2)0.7895 (2)0.0373 (8)
H2C0.98230.33720.83900.045*
H2D1.01940.27010.79750.045*
N30.8802 (4)0.2892 (2)0.5841 (2)0.0421 (9)
H3C0.97630.29690.58780.051*
H3D0.86520.24020.58270.051*
N40.7363 (4)0.2310 (2)0.7229 (2)0.0390 (8)
H4C0.78620.19590.69980.047*
H4D0.75530.22550.78010.047*
N50.8614 (4)0.43657 (19)0.6557 (2)0.0368 (8)
N60.7449 (4)0.3845 (2)1.0316 (2)0.0381 (8)
H6C0.80000.34821.01670.057*
H6D0.74250.38211.08740.057*
H6E0.78170.42771.01920.057*
O10.6336 (3)0.74011 (16)0.53495 (19)0.0415 (10)0.852 (6)
O20.8171 (3)0.66373 (15)0.59450 (16)0.0432 (11)0.852 (6)
O30.6241 (3)0.61700 (16)0.50323 (19)0.0444 (12)0.852 (6)
O40.7891 (3)0.69108 (16)0.45199 (17)0.0388 (10)0.852 (6)
O50.9536 (4)0.6257 (3)1.0211 (3)0.0434 (15)0.780 (13)
O60.7765 (6)0.5447 (2)1.0381 (3)0.042 (2)0.780 (13)
O70.7324 (4)0.6357 (3)0.9401 (3)0.0390 (15)0.780 (13)
O80.8801 (5)0.5412 (2)0.9187 (3)0.0417 (15)0.780 (13)
O90.3879 (4)0.55943 (15)0.8103 (2)0.0439 (11)0.741 (5)
O100.3693 (4)0.68463 (16)0.82366 (19)0.0473 (12)0.741 (5)
O110.2365 (4)0.62522 (18)0.7100 (2)0.0469 (13)0.741 (5)
O120.4827 (4)0.63597 (18)0.7184 (2)0.0517 (13)0.741 (5)
O1'0.6470 (18)0.7434 (9)0.4841 (10)0.045 (6)0.148 (6)
O2'0.8715 (12)0.6910 (10)0.5189 (11)0.044 (6)0.148 (6)
O3'0.6993 (18)0.6728 (9)0.6046 (7)0.036 (5)0.148 (6)
O4'0.674 (2)0.6186 (9)0.4727 (11)0.061 (9)0.148 (6)
O5'0.9751 (13)0.5895 (11)1.0214 (10)0.052 (6)0.220 (13)
O6'0.754 (2)0.5411 (8)1.0291 (12)0.045 (8)0.220 (13)
O7'0.7742 (17)0.6600 (6)0.9899 (14)0.054 (6)0.220 (13)
O8'0.817 (2)0.5683 (9)0.9006 (7)0.055 (5)0.220 (13)
O9'0.3671 (12)0.5585 (4)0.7048 (6)0.064 (5)0.259 (5)
O10'0.3219 (12)0.6821 (5)0.6873 (6)0.054 (4)0.259 (5)
O11'0.2240 (9)0.6174 (6)0.7884 (6)0.045 (3)0.259 (5)
O12'0.4682 (9)0.6402 (6)0.8073 (6)0.058 (4)0.259 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.034 (2)0.054 (3)0.041 (2)0.013 (2)0.0039 (19)0.012 (2)
C20.033 (2)0.036 (2)0.046 (2)0.0123 (18)0.0074 (19)0.0121 (19)
C30.047 (3)0.056 (3)0.044 (3)0.015 (2)0.006 (2)0.021 (2)
C40.051 (3)0.040 (2)0.036 (2)0.002 (2)0.014 (2)0.0104 (19)
C50.046 (3)0.040 (2)0.044 (3)0.012 (2)0.014 (2)0.0106 (19)
C60.043 (3)0.044 (3)0.054 (3)0.014 (2)0.012 (2)0.013 (2)
C70.042 (3)0.041 (2)0.052 (3)0.015 (2)0.019 (2)0.002 (2)
C80.054 (3)0.044 (3)0.042 (3)0.016 (2)0.007 (2)0.015 (2)
C90.039 (2)0.050 (3)0.034 (2)0.004 (2)0.0117 (18)0.0113 (19)
C100.047 (3)0.027 (2)0.033 (2)0.0010 (17)0.0156 (18)0.0032 (16)
C110.052 (3)0.041 (3)0.047 (3)0.011 (2)0.009 (2)0.007 (2)
C120.034 (2)0.0246 (19)0.041 (2)0.0035 (16)0.0089 (18)0.0041 (17)
C130.034 (2)0.044 (2)0.031 (2)0.0126 (18)0.0133 (17)0.0055 (18)
C140.039 (3)0.046 (3)0.058 (3)0.008 (2)0.026 (2)0.004 (2)
Cl10.037 (2)0.0355 (19)0.044 (3)0.0044 (14)0.0022 (17)0.0047 (16)
Cl20.035 (2)0.033 (2)0.048 (2)0.0057 (16)0.0033 (16)0.0030 (16)
Cl30.0384 (12)0.0327 (12)0.0358 (10)0.0003 (9)0.0146 (9)0.0003 (8)
Cl1'0.042 (14)0.063 (16)0.034 (15)0.007 (11)0.003 (10)0.022 (10)
Cl2'0.052 (10)0.033 (8)0.054 (9)0.008 (7)0.020 (7)0.011 (6)
Cl3'0.052 (5)0.046 (4)0.053 (4)0.011 (3)0.018 (4)0.016 (3)
Cu10.0271 (3)0.0352 (3)0.0290 (3)0.0007 (2)0.00765 (18)0.0010 (2)
N10.041 (2)0.0354 (19)0.0378 (19)0.0132 (16)0.0070 (15)0.0080 (15)
N20.0311 (19)0.0383 (19)0.042 (2)0.0042 (15)0.0052 (15)0.0001 (16)
N30.045 (2)0.039 (2)0.045 (2)0.0018 (17)0.0125 (17)0.0087 (16)
N40.042 (2)0.0365 (19)0.043 (2)0.0036 (15)0.0201 (17)0.0035 (16)
N50.041 (2)0.0309 (18)0.043 (2)0.0034 (15)0.0204 (16)0.0032 (15)
N60.042 (2)0.044 (2)0.0324 (18)0.0046 (16)0.0167 (15)0.0060 (16)
O10.041 (2)0.043 (2)0.042 (2)0.0188 (17)0.0096 (19)0.0057 (19)
O20.044 (3)0.042 (2)0.037 (2)0.0023 (16)0.0151 (17)0.0031 (15)
O30.043 (3)0.038 (2)0.045 (2)0.0158 (19)0.015 (2)0.0161 (18)
O40.039 (2)0.039 (2)0.040 (2)0.0023 (15)0.0129 (17)0.0091 (16)
O50.051 (3)0.043 (3)0.039 (2)0.015 (2)0.014 (2)0.011 (2)
O60.046 (4)0.041 (5)0.040 (4)0.017 (3)0.008 (3)0.011 (3)
O70.038 (2)0.038 (3)0.043 (3)0.0132 (19)0.013 (2)0.012 (2)
O80.041 (3)0.047 (3)0.040 (3)0.016 (2)0.013 (2)0.015 (2)
O90.044 (3)0.042 (2)0.048 (2)0.0044 (19)0.0146 (19)0.0120 (19)
O100.053 (3)0.051 (3)0.040 (2)0.009 (2)0.014 (2)0.006 (2)
O110.040 (3)0.052 (3)0.042 (3)0.011 (2)0.012 (2)0.016 (2)
O120.050 (3)0.052 (3)0.056 (3)0.015 (2)0.015 (2)0.004 (2)
O1'0.041 (13)0.036 (12)0.052 (16)0.004 (10)0.012 (12)0.019 (12)
O2'0.033 (12)0.049 (13)0.053 (14)0.002 (9)0.014 (10)0.002 (10)
O3'0.044 (13)0.035 (11)0.033 (11)0.006 (9)0.016 (9)0.018 (8)
O4'0.055 (19)0.067 (18)0.061 (19)0.035 (14)0.006 (14)0.028 (15)
O5'0.060 (12)0.047 (14)0.052 (10)0.014 (9)0.018 (8)0.012 (10)
O6'0.059 (15)0.029 (14)0.045 (14)0.012 (11)0.006 (11)0.016 (11)
O7'0.046 (10)0.045 (10)0.066 (15)0.004 (7)0.002 (9)0.002 (9)
O8'0.066 (14)0.052 (11)0.051 (11)0.025 (9)0.016 (9)0.019 (8)
O9'0.062 (9)0.055 (9)0.063 (9)0.023 (7)0.021 (7)0.021 (7)
O10'0.064 (10)0.057 (9)0.042 (7)0.009 (7)0.009 (6)0.011 (6)
O11'0.054 (8)0.052 (7)0.030 (6)0.009 (6)0.007 (5)0.023 (5)
O12'0.067 (11)0.050 (8)0.066 (10)0.003 (7)0.037 (9)0.009 (7)
Geometric parameters (Å, º) top
C1—N11.480 (6)C13—H13B0.9700
C1—C21.509 (7)C14—N61.484 (6)
C1—H1A0.9700C14—H14A0.9700
C1—H1B0.9700C14—H14B0.9700
C2—C31.506 (7)Cl1—O11.4002 (18)
C2—H2A0.9700Cl1—O41.4003 (18)
C2—H2B0.9700Cl1—O21.4003 (18)
C3—N41.483 (6)Cl1—O31.4003 (18)
C3—H3A0.9700Cl2—O51.383 (2)
C3—H3B0.9700Cl2—O81.383 (2)
C4—N31.474 (6)Cl2—O71.383 (2)
C4—C51.510 (6)Cl2—O61.383 (2)
C4—H4A0.9700Cl3—O91.401 (2)
C4—H4B0.9700Cl3—O101.401 (2)
C5—C61.511 (7)Cl3—O111.401 (2)
C5—H5A0.9700Cl3—O121.402 (2)
C5—H5B0.9700Cl1'—O2'1.4002 (19)
C6—N51.486 (6)Cl1'—O3'1.4003 (19)
C6—H6A0.9700Cl1'—O4'1.4004 (19)
C6—H6B0.9700Cl1'—O1'1.4004 (19)
C7—C81.492 (7)Cl2'—O5'1.383 (2)
C7—N51.497 (6)Cl2'—O6'1.383 (2)
C7—H7A0.9700Cl2'—O7'1.383 (2)
C7—H7B0.9700Cl2'—O8'1.383 (2)
C8—C91.511 (7)Cl3'—O11'1.401 (2)
C8—H8A0.9700Cl3'—O9'1.401 (2)
C8—H8B0.9700Cl3'—O12'1.401 (2)
C9—N21.440 (6)Cl3'—O10'1.401 (2)
C9—H9A0.9700Cu1—N42.048 (3)
C9—H9B0.9700Cu1—N52.056 (3)
C10—C111.443 (7)Cu1—N32.074 (4)
C10—N51.512 (5)Cu1—N12.096 (4)
C10—H10A0.9700Cu1—N22.173 (4)
C10—H10B0.9700N2—H2C0.9000
C11—N11.489 (6)N2—H2D0.9000
C11—H11A0.9700N3—H3C0.9000
C11—H11B0.9700N3—H3D0.9000
C12—N11.477 (5)N4—H4C0.9000
C12—C131.530 (5)N4—H4D0.9000
C12—H12A0.9700N6—H6C0.8900
C12—H12B0.9700N6—H6D0.8900
C13—C141.499 (6)N6—H6E0.8900
C13—H13A0.9700
N1—C1—C2114.8 (4)H14A—C14—H14B107.8
N1—C1—H1A108.6O1—Cl1—O4109.46 (6)
C2—C1—H1A108.6O1—Cl1—O2109.48 (6)
N1—C1—H1B108.6O4—Cl1—O2109.48 (6)
C2—C1—H1B108.6O1—Cl1—O3109.47 (6)
H1A—C1—H1B107.5O4—Cl1—O3109.46 (6)
C3—C2—C1113.9 (4)O2—Cl1—O3109.48 (6)
C3—C2—H2A108.8O5—Cl2—O8109.49 (6)
C1—C2—H2A108.8O5—Cl2—O7109.49 (6)
C3—C2—H2B108.8O8—Cl2—O7109.47 (6)
C1—C2—H2B108.8O5—Cl2—O6109.47 (6)
H2A—C2—H2B107.7O8—Cl2—O6109.45 (6)
N4—C3—C2111.4 (4)O7—Cl2—O6109.47 (6)
N4—C3—H3A109.4O9—Cl3—O10109.50 (6)
C2—C3—H3A109.4O9—Cl3—O11109.47 (6)
N4—C3—H3B109.4O10—Cl3—O11109.46 (6)
C2—C3—H3B109.4O9—Cl3—O12109.46 (6)
H3A—C3—H3B108.0O10—Cl3—O12109.47 (6)
N3—C4—C5110.8 (4)O11—Cl3—O12109.47 (6)
N3—C4—H4A109.5O2'—Cl1'—O3'109.48 (6)
C5—C4—H4A109.5O2'—Cl1'—O4'109.47 (6)
N3—C4—H4B109.5O3'—Cl1'—O4'109.48 (6)
C5—C4—H4B109.5O2'—Cl1'—O1'109.48 (6)
H4A—C4—H4B108.1O3'—Cl1'—O1'109.47 (6)
C4—C5—C6115.3 (4)O4'—Cl1'—O1'109.46 (6)
C4—C5—H5A108.4O5'—Cl2'—O6'109.47 (6)
C6—C5—H5A108.4O5'—Cl2'—O7'109.47 (7)
C4—C5—H5B108.4O6'—Cl2'—O7'109.47 (6)
C6—C5—H5B108.4O5'—Cl2'—O8'109.47 (6)
H5A—C5—H5B107.5O6'—Cl2'—O8'109.47 (7)
N5—C6—C5116.9 (4)O7'—Cl2'—O8'109.47 (6)
N5—C6—H6A108.1O11'—Cl3'—O9'109.47 (6)
C5—C6—H6A108.1O11'—Cl3'—O12'109.48 (6)
N5—C6—H6B108.1O9'—Cl3'—O12'109.47 (6)
C5—C6—H6B108.1O11'—Cl3'—O10'109.47 (6)
H6A—C6—H6B107.3O9'—Cl3'—O10'109.47 (6)
C8—C7—N5118.6 (4)O12'—Cl3'—O10'109.47 (6)
C8—C7—H7A107.7N4—Cu1—N5173.04 (15)
N5—C7—H7A107.7N4—Cu1—N391.33 (16)
C8—C7—H7B107.7N5—Cu1—N389.92 (15)
N5—C7—H7B107.7N4—Cu1—N189.65 (15)
H7A—C7—H7B107.1N5—Cu1—N185.71 (14)
C7—C8—C9116.4 (4)N3—Cu1—N1148.41 (15)
C7—C8—H8A108.2N4—Cu1—N290.22 (15)
C9—C8—H8A108.2N5—Cu1—N296.19 (15)
C7—C8—H8B108.2N3—Cu1—N2102.67 (15)
C9—C8—H8B108.2N1—Cu1—N2108.90 (14)
H8A—C8—H8B107.4C12—N1—C1112.4 (4)
N2—C9—C8112.6 (4)C12—N1—C11109.0 (3)
N2—C9—H9A109.1C1—N1—C11109.4 (4)
C8—C9—H9A109.1C12—N1—Cu1108.6 (2)
N2—C9—H9B109.1C1—N1—Cu1111.0 (3)
C8—C9—H9B109.1C11—N1—Cu1106.2 (3)
H9A—C9—H9B107.8C9—N2—Cu1114.6 (3)
C11—C10—N5111.6 (4)C9—N2—H2C108.6
C11—C10—H10A109.3Cu1—N2—H2C108.6
N5—C10—H10A109.3C9—N2—H2D108.6
C11—C10—H10B109.3Cu1—N2—H2D108.6
N5—C10—H10B109.3H2C—N2—H2D107.6
H10A—C10—H10B108.0C4—N3—Cu1113.8 (3)
C10—C11—N1111.3 (4)C4—N3—H3C108.8
C10—C11—H11A109.4Cu1—N3—H3C108.8
N1—C11—H11A109.4C4—N3—H3D108.8
C10—C11—H11B109.4Cu1—N3—H3D108.8
N1—C11—H11B109.4H3C—N3—H3D107.7
H11A—C11—H11B108.0C3—N4—Cu1115.3 (3)
N1—C12—C13118.1 (3)C3—N4—H4C108.5
N1—C12—H12A107.8Cu1—N4—H4C108.5
C13—C12—H12A107.8C3—N4—H4D108.5
N1—C12—H12B107.8Cu1—N4—H4D108.5
C13—C12—H12B107.8H4C—N4—H4D107.5
H12A—C12—H12B107.1C6—N5—C7110.3 (3)
C14—C13—C12113.1 (4)C6—N5—C10108.7 (3)
C14—C13—H13A109.0C7—N5—C10107.4 (3)
C12—C13—H13A109.0C6—N5—Cu1110.6 (3)
C14—C13—H13B109.0C7—N5—Cu1115.3 (3)
C12—C13—H13B109.0C10—N5—Cu1104.2 (2)
H13A—C13—H13B107.8C14—N6—H6C109.5
N6—C14—C13113.2 (4)C14—N6—H6D109.5
N6—C14—H14A108.9H6C—N6—H6D109.5
C13—C14—H14A108.9C14—N6—H6E109.5
N6—C14—H14B108.9H6C—N6—H6E109.5
C13—C14—H14B108.9H6D—N6—H6E109.5
N1—C1—C2—C368.6 (5)N4—Cu1—N2—C9148.2 (3)
C1—C2—C3—N465.6 (5)N5—Cu1—N2—C934.6 (3)
N3—C4—C5—C663.1 (5)N3—Cu1—N2—C956.7 (3)
C4—C5—C6—N564.1 (6)N1—Cu1—N2—C9122.1 (3)
N5—C7—C8—C966.8 (6)C5—C4—N3—Cu165.4 (4)
C7—C8—C9—N272.2 (5)N4—Cu1—N3—C4117.3 (3)
N5—C10—C11—N152.3 (5)N5—Cu1—N3—C455.8 (3)
N1—C12—C13—C14157.8 (4)N1—Cu1—N3—C425.8 (5)
C12—C13—C14—N655.7 (5)N2—Cu1—N3—C4152.2 (3)
C13—C12—N1—C155.0 (5)C2—C3—N4—Cu164.3 (5)
C13—C12—N1—C1166.4 (5)N3—Cu1—N4—C396.4 (3)
C13—C12—N1—Cu1178.3 (3)N1—Cu1—N4—C352.1 (3)
C2—C1—N1—C1257.6 (5)N2—Cu1—N4—C3161.0 (3)
C2—C1—N1—C11178.9 (4)C5—C6—N5—C766.6 (5)
C2—C1—N1—Cu164.3 (4)C5—C6—N5—C10175.9 (4)
C10—C11—N1—C1284.6 (5)C5—C6—N5—Cu162.1 (5)
C10—C11—N1—C1152.1 (4)C8—C7—N5—C6171.9 (4)
C10—C11—N1—Cu132.2 (4)C8—C7—N5—C1069.9 (5)
N4—Cu1—N1—C1274.2 (3)C8—C7—N5—Cu145.7 (5)
N5—Cu1—N1—C12111.0 (3)C11—C10—N5—C674.8 (4)
N3—Cu1—N1—C12166.2 (3)C11—C10—N5—C7165.9 (4)
N2—Cu1—N1—C1215.9 (3)C11—C10—N5—Cu143.1 (4)
N4—Cu1—N1—C149.9 (3)N3—Cu1—N5—C650.9 (3)
N5—Cu1—N1—C1124.9 (3)N1—Cu1—N5—C697.8 (3)
N3—Cu1—N1—C142.1 (4)N2—Cu1—N5—C6153.6 (3)
N2—Cu1—N1—C1140.0 (3)N3—Cu1—N5—C775.1 (3)
N4—Cu1—N1—C11168.7 (3)N1—Cu1—N5—C7136.2 (3)
N5—Cu1—N1—C116.1 (3)N2—Cu1—N5—C727.6 (3)
N3—Cu1—N1—C1176.7 (4)N3—Cu1—N5—C10167.5 (3)
N2—Cu1—N1—C11101.2 (3)N1—Cu1—N5—C1018.8 (3)
C8—C9—N2—Cu155.9 (4)N2—Cu1—N5—C1089.8 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2C···O5i0.902.303.132 (5)153
N2—H2C···O5i0.902.563.407 (18)158
N6—H6C···O5i0.892.513.064 (6)121
N6—H6E···O5i0.892.472.906 (18)110
N3—H3C···O4ii0.902.383.246 (5)161
N3—H3C···O2ii0.902.383.058 (12)132
N2—H2D···O10iii0.902.162.961 (10)147
N2—H2D···O12iii0.902.443.317 (5)164
N3—H3D···O7iii0.902.112.979 (5)162
N3—H3D···O7iii0.902.162.899 (13)139
N4—H4C···O7iii0.902.453.160 (5)136
N4—H4C···O12iii0.902.523.310 (10)146
N4—H4C···O12iii0.902.573.152 (5)123
N4—H4D···O3iii0.902.052.903 (13)158
N4—H4D···O2iii0.902.473.250 (5)146
N6—H6C···O1iii0.891.962.775 (18)151
N6—H6C···O1iii0.892.253.103 (5)161
N6—H6D···O11iv0.891.942.823 (10)169
N6—H6D···O10iv0.892.242.957 (5)138
N6—H6D···O9iv0.892.423.135 (5)138
N6—H6E···O60.892.082.842 (15)143
N6—H6E···O60.892.142.919 (6)145
Symmetry codes: (i) x+2, y+1, z+2; (ii) x+2, y+1, z+1; (iii) x+3/2, y1/2, z+3/2; (iv) x+1, y+1, z+2.
 

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