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In the title compound, [Sm(NO3)3(C24H28N4O2)], the Sm atom has tenfold coordination, built up from two imino N atoms, two deprotonated phenolic O atoms and three bidentate nitrate groups. The Sm ion is incorporated in an out-of-plane position relative to the macrocyclic ligand, which adopts a folded conformation.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805041504/hb6266sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805041504/hb6266Isup2.hkl
Contains datablock I

CCDC reference: 298451

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.070
  • wR factor = 0.079
  • Data-to-parameter ratio = 10.4

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ... 1.05 PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.94
Alert level C PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT213_ALERT_2_C Atom O8 has ADP max/min Ratio ............. 3.40 prolat PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.93 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Sm1 - O4 .. 6.11 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O7 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O9 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sm1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N5 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N6 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: KappaCCD Software (Nonius, 1997); cell refinement: KappaCCD Software; data reduction: TEXSAN (Molecular Structure Corporation, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: TEXSAN; molecular graphics: Please supply; software used to prepare material for publication: TEXSAN.

[11,23-Dimethyl-15,19-diaza-3,7-diazoniatricyclo[19.3.1.19,13]trtracosa- 1(25),2,7,9,11,13 (26),14,19,21,23-decaene-25,26-doiolato- κ4N15,N19,O,O']tris(nitrato-κ2O,O')samarium(III) top
Crystal data top
[Sm(NO3)3(C24H28N4O2)]F(000) = 1484.00
Mr = 740.93Dx = 1.734 Mg m3
Monoclinic, P21/cAg Kα radiation, λ = 0.5608 Å
Hall symbol: -P 2ybcCell parameters from 987 reflections
a = 15.7532 (13) Åθ = 3.0–17.0°
b = 9.7237 (5) ŵ = 1.15 mm1
c = 19.1342 (15) ÅT = 293 K
β = 104.457 (12)°Prism, colorless
V = 2838.1 (4) Å30.20 × 0.15 × 0.10 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer
4029 reflections with I > 2σ(I)
Radiation source: X-ray tubeRint = 0.082
Filter monochromatorθmax = 20.5°, θmin = 2.2°
ω and φ scansh = 1919
30402 measured reflectionsk = 1212
6093 independent reflectionsl = 2323
Refinement top
Refinement on F0 restraints
Least-squares matrix: full0 constraints
R[F2 > 2σ(F2)] = 0.070H-atom parameters constrained
wR(F2) = 0.079Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.00006|Fo|2]
S = 1.61(Δ/σ)max = 0.005
4029 reflectionsΔρmax = 1.71 e Å3
388 parametersΔρmin = 1.71 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sm10.26164 (3)0.15966 (4)0.58249 (2)0.0343 (1)
O10.3570 (3)0.3467 (5)0.5931 (3)0.043 (2)
O20.1766 (4)0.3576 (5)0.5472 (3)0.039 (1)
O30.4194 (4)0.0995 (6)0.6609 (4)0.059 (2)
O40.3480 (4)0.0724 (6)0.6078 (4)0.055 (2)
O50.4814 (5)0.0991 (8)0.6697 (5)0.087 (3)
O60.1672 (4)0.0562 (6)0.5787 (4)0.057 (2)
O70.1033 (4)0.1277 (6)0.5981 (4)0.064 (2)
O80.0419 (4)0.0665 (7)0.6027 (6)0.115 (3)
O90.2589 (5)0.0869 (7)0.7149 (4)0.066 (2)
O100.2386 (5)0.2312 (9)0.7957 (4)0.090 (3)
O110.2512 (4)0.3023 (6)0.6920 (3)0.051 (2)
N10.1632 (4)0.5723 (7)0.6271 (4)0.046 (2)
N20.1699 (4)0.1311 (6)0.4502 (4)0.041 (2)
N30.3611 (4)0.1298 (7)0.4915 (4)0.044 (2)
N40.3764 (4)0.5437 (7)0.6926 (4)0.046 (2)
N50.4179 (5)0.0252 (7)0.6467 (4)0.050 (2)
N60.1021 (5)0.0010 (7)0.5937 (5)0.062 (2)
N70.2492 (5)0.2062 (8)0.7361 (5)0.054 (2)
C10.2634 (7)0.064 (1)0.4337 (6)0.079 (3)
C20.1742 (6)0.0068 (9)0.4185 (5)0.056 (3)
C30.1266 (5)0.2210 (9)0.4071 (5)0.044 (2)
C40.1076 (5)0.3632 (8)0.4217 (4)0.036 (2)
C50.0647 (5)0.4434 (9)0.3636 (5)0.049 (3)
C60.0404 (5)0.5780 (9)0.3700 (5)0.048 (3)
C70.0055 (7)0.661 (1)0.3033 (6)0.071 (3)
C80.0574 (6)0.6351 (8)0.4384 (5)0.050 (3)
C90.1042 (4)0.5621 (7)0.4999 (4)0.033 (2)
C100.1319 (4)0.4212 (7)0.4914 (4)0.032 (2)
C110.1199 (5)0.6280 (8)0.5670 (5)0.043 (2)
C120.1800 (6)0.6407 (9)0.6978 (5)0.054 (3)
C130.2693 (6)0.7121 (9)0.7218 (5)0.059 (3)
C140.3464 (6)0.6189 (9)0.7474 (5)0.056 (3)
C150.4529 (5)0.5578 (9)0.6811 (5)0.046 (3)
C160.4866 (5)0.4780 (9)0.6314 (5)0.043 (2)
C170.5719 (5)0.5065 (9)0.6268 (5)0.053 (3)
C180.6095 (5)0.4362 (9)0.5806 (6)0.055 (3)
C190.7038 (6)0.467 (1)0.5742 (7)0.078 (4)
C200.5620 (5)0.3351 (9)0.5385 (5)0.053 (3)
C210.4758 (5)0.2989 (8)0.5414 (5)0.045 (2)
C220.4361 (5)0.3717 (8)0.5883 (5)0.041 (2)
C230.4325 (6)0.1905 (9)0.4936 (5)0.051 (3)
C240.3369 (7)0.026 (1)0.4334 (6)0.071 (3)
H10.27470.10450.48020.094*
H20.26290.13330.39860.094*
H30.13850.06770.43750.068*
H40.15210.00030.36760.068*
H50.10350.19100.35880.053*
H60.05140.40330.31690.059*
H70.01780.63600.26380.085*
H80.06660.64180.29170.085*
H90.00380.75620.31310.085*
H100.03720.72540.44410.059*
H110.09760.71840.56870.052*
H120.18530.48190.62520.055*
H130.17650.57330.73290.065*
H140.13560.70790.69570.065*
H150.27840.76320.68200.071*
H160.26720.77310.76010.071*
H170.39400.67340.77330.067*
H180.33130.55330.77910.067*
H190.33710.48020.66340.055*
H200.48990.62690.70780.056*
H210.60440.57640.65650.063*
H220.72290.55220.59700.094*
H230.70410.47200.52470.094*
H240.74200.39570.59690.094*
H250.58800.28720.50590.064*
H260.46220.16070.45880.061*
H270.38670.03120.43630.085*
H280.32340.07350.38860.085*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sm10.0310 (2)0.0294 (2)0.0415 (2)0.0005 (2)0.0072 (2)0.0003 (2)
O10.036 (3)0.047 (3)0.049 (3)0.005 (2)0.016 (2)0.010 (3)
O20.044 (3)0.037 (3)0.034 (3)0.000 (2)0.005 (2)0.002 (3)
O30.054 (4)0.051 (3)0.064 (5)0.003 (3)0.001 (3)0.002 (3)
O40.051 (4)0.047 (3)0.063 (4)0.006 (3)0.005 (3)0.002 (3)
O50.064 (4)0.081 (5)0.105 (7)0.029 (4)0.000 (4)0.008 (5)
O60.043 (3)0.040 (3)0.088 (5)0.004 (3)0.021 (3)0.006 (3)
O70.046 (3)0.040 (3)0.112 (6)0.004 (3)0.029 (4)0.000 (3)
O80.053 (4)0.063 (4)0.25 (1)0.023 (3)0.078 (5)0.015 (5)
O90.089 (5)0.049 (3)0.062 (5)0.011 (3)0.023 (4)0.012 (3)
O100.142 (7)0.097 (6)0.044 (4)0.008 (5)0.049 (4)0.002 (4)
O110.061 (4)0.044 (3)0.049 (4)0.006 (3)0.017 (3)0.001 (3)
N10.048 (4)0.041 (4)0.051 (5)0.010 (3)0.017 (3)0.004 (3)
N20.033 (3)0.034 (3)0.056 (5)0.005 (3)0.007 (3)0.012 (3)
N30.038 (4)0.050 (4)0.044 (4)0.000 (3)0.012 (3)0.012 (3)
N40.039 (4)0.052 (4)0.045 (4)0.009 (3)0.008 (3)0.011 (3)
N50.043 (4)0.052 (4)0.051 (5)0.007 (4)0.002 (4)0.000 (4)
N60.039 (4)0.034 (4)0.113 (7)0.005 (3)0.021 (4)0.001 (4)
N70.054 (4)0.050 (4)0.061 (5)0.012 (4)0.019 (4)0.005 (4)
C10.063 (6)0.064 (6)0.107 (9)0.008 (5)0.019 (6)0.055 (5)
C20.060 (6)0.048 (5)0.060 (6)0.003 (4)0.012 (5)0.022 (5)
C30.031 (4)0.048 (4)0.055 (6)0.005 (4)0.010 (4)0.011 (4)
C40.019 (3)0.051 (5)0.036 (5)0.010 (3)0.000 (3)0.007 (4)
C50.035 (4)0.059 (5)0.050 (6)0.000 (4)0.006 (4)0.007 (5)
C60.042 (5)0.051 (5)0.054 (6)0.000 (4)0.017 (4)0.005 (4)
C70.078 (7)0.066 (6)0.061 (7)0.011 (5)0.004 (6)0.021 (6)
C80.041 (5)0.039 (4)0.067 (6)0.011 (4)0.013 (4)0.015 (4)
C90.021 (3)0.029 (4)0.048 (5)0.003 (3)0.007 (3)0.003 (3)
C100.021 (3)0.031 (4)0.042 (5)0.006 (3)0.006 (3)0.008 (3)
C110.043 (4)0.035 (4)0.055 (6)0.003 (3)0.019 (4)0.004 (4)
C120.066 (6)0.050 (5)0.051 (6)0.005 (4)0.026 (4)0.004 (4)
C130.075 (6)0.045 (5)0.062 (6)0.000 (5)0.028 (5)0.014 (5)
C140.060 (6)0.054 (5)0.052 (6)0.006 (5)0.013 (5)0.014 (5)
C150.038 (5)0.050 (5)0.043 (5)0.004 (4)0.006 (4)0.002 (4)
C160.027 (4)0.054 (5)0.046 (5)0.011 (4)0.003 (4)0.007 (4)
C170.039 (5)0.053 (5)0.062 (6)0.015 (4)0.005 (4)0.006 (5)
C180.034 (4)0.059 (5)0.072 (7)0.008 (4)0.016 (4)0.006 (5)
C190.039 (5)0.081 (7)0.123 (9)0.015 (5)0.037 (5)0.008 (7)
C200.041 (4)0.071 (6)0.055 (5)0.006 (4)0.025 (4)0.009 (5)
C210.037 (4)0.046 (4)0.051 (6)0.006 (4)0.010 (4)0.008 (4)
C220.030 (4)0.044 (4)0.049 (5)0.006 (3)0.013 (4)0.006 (4)
C230.044 (5)0.070 (6)0.044 (5)0.005 (4)0.020 (4)0.010 (4)
C240.066 (6)0.082 (7)0.073 (7)0.005 (5)0.030 (5)0.025 (6)
Geometric parameters (Å, º) top
Sm1—O12.335 (5)C7—H80.95
Sm1—O22.346 (5)C7—H90.95
Sm1—O32.628 (6)C8—C91.41 (1)
Sm1—O42.616 (6)C8—H100.95
Sm1—O62.563 (5)C9—C101.46 (1)
Sm1—O72.604 (6)C9—C111.40 (1)
Sm1—O92.641 (7)C11—H110.95
Sm1—O112.552 (6)C12—C131.53 (1)
Sm1—N22.598 (7)C12—H130.95
Sm1—N32.634 (7)C12—H140.95
O1—C221.294 (9)C13—C141.50 (1)
O2—C101.281 (9)C13—H150.95
O3—N51.242 (9)C13—H160.95
O4—N51.253 (8)C14—H170.95
O5—N51.220 (9)C14—H180.95
O6—N61.254 (9)C15—C161.43 (1)
O7—N61.254 (8)C15—H200.95
O8—N61.189 (9)C16—C171.40 (1)
O9—N71.25 (1)C16—C221.43 (1)
O10—N71.22 (1)C17—C181.37 (1)
O11—N71.265 (9)C17—H210.95
N1—C111.30 (1)C18—C191.55 (1)
N1—C121.47 (1)C18—C201.37 (1)
N1—H120.95C19—H220.95
N2—C21.48 (1)C19—H230.95
N2—C31.28 (1)C19—H240.95
N3—C231.26 (1)C20—C211.42 (1)
N3—C241.48 (1)C20—H250.95
N4—C141.45 (1)C21—C221.41 (1)
N4—C151.28 (1)C21—C231.45 (1)
N4—H190.95C23—H260.95
C1—C21.47 (1)C24—H270.95
C1—C241.45 (1)C24—H280.95
C1—H10.95H1—H21.55
C1—H20.95H3—H41.55
C2—H30.95H7—H81.55
C2—H40.95H7—H91.55
C3—C41.46 (1)H8—H91.55
C3—H50.95H13—H141.55
C4—C51.39 (1)H15—H161.55
C4—C101.41 (1)H17—H181.55
C5—C61.38 (1)H22—H231.55
C5—H60.95H22—H241.55
C6—C71.53 (1)H23—H241.55
C6—C81.39 (1)H27—H281.55
C7—H70.95
O1—Sm1—O272.2 (2)C24—C2—H4102.0
O1—Sm1—O368.1 (2)C24—C2—H5107.2
O1—Sm1—O4111.2 (2)H2—C2—H3101.4
O1—Sm1—O6175.1 (2)H3—C2—H4109.5
O1—Sm1—O7134.2 (2)N2—C3—C4129.7 (6)
O1—Sm1—O9106.8 (2)N2—C3—C10101.3 (4)
O1—Sm1—O1171.1 (2)N2—C3—H5115.2
O1—Sm1—N2110.9 (2)C4—C3—H5115.2
O1—Sm1—N370.6 (2)O2—C4—C6118.2 (3)
O2—Sm1—O3137.5 (2)N2—C4—C9130.6 (3)
O2—Sm1—O4173.6 (2)N2—C4—C1099.1 (4)
O2—Sm1—O6112.2 (2)N2—C4—H6116.7
O2—Sm1—O768.7 (2)C3—C4—C5118.2 (5)
O2—Sm1—O9110.5 (2)C3—C4—C10122.4 (5)
O2—Sm1—O1169.0 (2)C5—C4—C10119.4 (5)
O2—Sm1—N270.6 (2)C6—C4—H5121.3
O2—Sm1—N3107.0 (2)C9—C4—H6112.7
O3—Sm1—O447.8 (2)C3—C5—C8124.8 (3)
O3—Sm1—O6107.1 (2)C4—C5—C6124.2 (6)
O3—Sm1—O7134.8 (2)C4—C5—H6117.9
O3—Sm1—O968.4 (2)C6—C5—C1093.5 (4)
O3—Sm1—O1184.1 (2)C6—C5—H6117.9
O3—Sm1—N2138.5 (2)C7—C5—C10124.2 (3)
O3—Sm1—N373.7 (2)C4—C6—H10114.0
O4—Sm1—O664.5 (2)C5—C6—C7121.5 (6)
O4—Sm1—O7110.2 (2)C5—C6—C8117.5 (6)
O4—Sm1—O974.0 (2)C5—C6—H8115.9
O4—Sm1—O11117.0 (2)C5—C6—H9144.0
O4—Sm1—N2103.0 (2)C5—C6—H10141.8
O4—Sm1—N370.1 (2)C7—C6—C8121.0 (6)
O6—Sm1—O748.7 (2)C8—C6—H8119.8
O6—Sm1—O970.1 (2)C9—C6—H6112.7
O6—Sm1—O11108.2 (2)C9—C6—H9125.4
O6—Sm1—N273.0 (2)H6—C6—H9120.2
O6—Sm1—N3109.1 (2)H7—C6—H10117.9
O7—Sm1—O967.2 (2)C5—C7—H8104.9
O7—Sm1—O1173.2 (2)C6—C7—H7109.5
O7—Sm1—N277.5 (2)C6—C7—H8109.5
O7—Sm1—N3143.9 (2)C6—C7—H9109.5
O9—Sm1—O1148.6 (2)C8—C7—H7130.9
O9—Sm1—N2140.2 (2)C8—C7—H8109.5
O9—Sm1—N3139.4 (2)H7—C7—H8109.5
O11—Sm1—N2136.4 (2)H7—C7—H9109.5
O11—Sm1—N3140.7 (2)H8—C7—H9109.5
N2—Sm1—N367.8 (2)C6—C8—C9121.8 (5)
Sm1—O1—C21111.3 (2)C6—C8—C1091.2 (4)
Sm1—O1—C22138.1 (3)C6—C8—C11152.3 (4)
Sm1—O2—N1127.3 (2)C6—C8—H10119.1
Sm1—O2—C4113.2 (2)C7—C8—C11175.7 (3)
Sm1—O2—C9171.5 (2)C9—C8—H10119.1
Sm1—O2—C10142.7 (4)O2—C9—H11118.1
N1—O2—C4119.3 (2)N1—C9—H10121.2
N1—O2—C957.0 (2)C4—C9—H10112.2
N1—O2—C1089.5 (3)C4—C9—H12104.7
Sm1—O3—N597.6 (3)C6—C9—H11122.7
Sm1—O3—H20i138.4C8—C9—C10119.3 (5)
O4—O3—O560.5 (2)C8—C9—C11118.6 (5)
O4—O3—H20i130.0O2—C10—C4123.4 (5)
O5—O3—H20i83.3O2—C10—C9119.0 (5)
N5—O3—H20i106.6C3—C10—C8116.7 (3)
Sm1—O4—N597.5 (3)C4—C10—C9117.6 (5)
Sm1—O4—H179.9C8—C10—H12103.4
Sm1—O4—H15ii111.8N1—C11—H11117.7
O3—O4—H1129.1C9—C11—H11117.7
O3—O4—H15ii118.9N1—C12—C13114.6 (5)
O5—O4—H15ii96.9N1—C12—C14103.7 (4)
N5—O4—H1139.9N1—C12—H13108.2
N5—O4—H15ii109.8N1—C12—H14108.2
H1—O4—H15ii108.2C11—C12—C13114.7 (5)
Sm1—O6—O766.5 (1)C11—C12—C14118.2 (3)
Sm1—O6—O8126.2 (2)C11—C12—H13127.7
Sm1—O6—H11ii169.9C13—C12—H11110.7
O7—O6—H11ii123.6C13—C12—H12109.9
O8—O7—H10iii97.8C13—C12—H13108.2
N6—O7—H10iii122.2C13—C12—H14108.2
O6—O8—H11ii63.9C14—C12—H11126.7
O7—O8—H11ii123.2H11—C12—H16118.2
N6—O8—H11ii93.7H12—C12—H14129.2
O10—O9—O1160.1 (2)H13—C12—H14109.5
O9—O10—O1159.3 (2)N4—C13—C12105.3 (4)
Sm1—O11—O10128.1 (2)C12—C13—C14116.4 (5)
C9—N1—C12153.4 (4)C12—C13—H15107.7
C9—N1—C13140.8 (3)C12—C13—H16107.7
C9—N1—H14127.7C14—C13—H15107.7
C9—N1—H15119.5C14—C13—H16107.7
C11—N1—C12124.3 (5)H13—C13—H17118.0
C11—N1—C13121.4 (4)H14—C13—H18117.6
C12—N1—H12117.9H15—C13—H16109.5
C13—N1—H11100.4N4—C14—H17107.9
C13—N1—H12109.7N4—C14—H18107.9
H11—N1—H12143.8C13—C14—H17107.9
H11—N1—H13119.2C13—C14—H18107.9
H11—N1—H1473.8C15—C14—H18119.3
H11—N1—H1585.9H17—C14—H18109.5
H12—N1—H1395.5N4—C15—H20117.3
H12—N1—H14141.4C16—C15—H20117.3
H12—N1—H15116.2O1—C16—C18120.5 (3)
Sm1—N2—C190.2 (2)O1—C16—H20117.6
Sm1—N2—C2115.4 (3)N4—C16—H21119.5
Sm1—N2—C3129.4 (4)C15—C16—C17117.8 (5)
Sm1—N2—H3106.9C15—C16—C22121.6 (5)
C1—N2—C3132.8 (5)C17—C16—C22120.6 (6)
C1—N2—C4152.7 (3)C18—C16—H20121.8
C1—N2—H5108.6C21—C16—H19105.5
C2—N2—C3115.0 (5)C15—C17—C20122.5 (3)
C3—N2—H3120.3C16—C17—C18122.3 (6)
C3—N2—H488.6C16—C17—H21118.8
C4—N2—H4115.5C18—C17—H21118.8
Sm1—N3—C2199.8 (2)C16—C18—H25113.0
Sm1—N3—C23127.0 (4)C17—C18—C19122.1 (6)
Sm1—N3—C24119.6 (4)C17—C18—C20117.8 (6)
C1—N3—C21170.3 (3)C20—C18—H23100.4
C1—N3—C23143.6 (5)C20—C18—H24110.9
C1—N3—H26116.6C21—C18—H21113.6
C21—N3—H27120.4C21—C18—H23127.6
C21—N3—H28125.0H21—C18—H23114.8
C23—N3—C24113.3 (5)H21—C18—H24103.6
C23—N3—H2794.9C17—C19—H23126.3
C23—N3—H28101.0C17—C19—H24114.7
H1—N3—H26125.3C18—C19—H22109.5
C13—N4—H20110.3C18—C19—H23109.5
C14—N4—C15123.7 (5)C18—C19—H24109.5
C14—N4—C16152.3 (4)H22—C19—H23109.5
C14—N4—H19118.2H22—C19—H24109.5
C15—N4—H15117.6H23—C19—H24109.5
C15—N4—H1796.4C17—C20—C23124.2 (3)
C15—N4—H18133.4C18—C20—C21123.1 (6)
C15—N4—H19118.2C18—C20—H25118.4
C16—N4—H17125.0C21—C20—H25118.4
H15—N4—H20100.5O1—C21—C18118.5 (3)
H18—N4—H19102.3O1—C21—H26120.4
H18—N4—H20111.6N3—C21—C22100.6 (4)
O3—N5—O4116.9 (5)N3—C21—H25116.3
O3—N5—O5121.5 (5)C16—C21—H25111.5
O4—N5—O5121.6 (5)C18—C21—H26120.7
O6—N6—O7116.8 (5)C20—C21—C22118.9 (5)
O6—N6—O8121.5 (5)C20—C21—C23117.2 (6)
O7—N6—O8121.7 (5)C22—C21—C23123.8 (5)
O9—N7—O10122.8 (6)O1—C22—C16120.4 (5)
O9—N7—O11116.3 (6)O1—C22—C21122.4 (5)
O10—N7—O11120.9 (5)C15—C22—C20115.8 (3)
N3—C1—C2104.9 (4)C16—C22—C21117.2 (5)
C2—C1—C24120.2 (6)C17—C22—C23116.4 (3)
C2—C1—H1106.7N3—C23—C21129.1 (6)
C2—C1—H2106.7N3—C23—C22102.0 (4)
C2—C1—H28101.8N3—C23—H26115.4
C24—C1—H1106.7C21—C23—H26115.4
C24—C1—H2106.7H25—C23—H27122.2
C24—C1—H3144.7N3—C24—C1117.3 (6)
C24—C1—H4113.1N3—C24—C2103.3 (4)
H1—C1—H2109.5N3—C24—H27107.5
N2—C2—C1113.4 (5)N3—C24—H28107.5
N2—C2—H1107.3C1—C24—H27107.5
N2—C2—H3108.5C1—C24—H28107.5
N2—C2—H4108.5H27—C24—H28109.5
C3—C2—C24100.8 (3)
Symmetry codes: (i) x+1, y1/2, z+3/2; (ii) x, y1, z; (iii) x, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H12···O20.951.902.619 (6)131
N1—H12···O110.952.263.082 (10)145
N4—H19···O10.951.942.655 (6)130
N4—H19···O110.952.343.063 (10)132
 

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