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The title compound, [Zn(C10H10NO)2], contains an enantiomeric pair of mol­ecules in the asymmetric unit of the non-centrosymmetric space group C2. In this mononuclear compound, each ZnII atom is coordinated by two N atoms and two O atoms from two Schiff bases in a slightly distorted tetrahedral geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803023109/ci6282sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803023109/ci6282Isup2.hkl
Contains datablock I

CCDC reference: 226658

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.019 Å
  • R factor = 0.055
  • wR factor = 0.159
  • Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT341_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ... 19
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.70 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O2 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C5 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C6 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C10 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C20 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C25
Alert level G REFLT03_ALERT_4_G 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. From the CIF: _diffrn_reflns_theta_max 25.03 From the CIF: _reflns_number_total 6279 Count of symmetry unique reflns 3501 Completeness (_total/calc) 179.35% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2778 Fraction of Friedel pairs measured 0.793 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Bis{2-[(cyclopropylimino)methyl]phenolato}zinc(II) top
Crystal data top
[Zn(C10H10NO)2]F(000) = 1600
Mr = 385.75Dx = 1.376 Mg m3
Monoclinic, C2Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C 2yCell parameters from 2380 reflections
a = 26.99 (2) Åθ = 2.3–19.0°
b = 9.862 (9) ŵ = 1.33 mm1
c = 19.276 (17) ÅT = 293 K
β = 133.473 (10)°Block, colorless
V = 3723 (6) Å30.32 × 0.27 × 0.19 mm
Z = 8
Data collection top
Siemens SMART CCD area-detector
diffractometer
6279 independent reflections
Radiation source: fine-focus sealed tube3750 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.056
φ and ω scansθmax = 25.0°, θmin = 1.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 3230
Tmin = 0.675, Tmax = 0.786k = 1111
9558 measured reflectionsl = 1522
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)] = 0.055H-atom parameters constrained
wR(F2) = 0.159 w = 1/[σ2(Fo2) + (0.0889P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.88(Δ/σ)max < 0.001
6279 reflectionsΔρmax = 0.69 e Å3
451 parametersΔρmin = 0.36 e Å3
1 restraintAbsolute structure: Flack (1983); 786 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.00 (2)
Special details top

Experimental. C, H and N elemental analyses were performed on a Perkin-Elmer elemental analyser. The IR spectra were recorded in the 4000–600 cm-1 region using a Smart OMNI-Sampler spectrophotometer.

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*/Ueq
Zn10.15137 (5)0.74189 (8)0.98021 (6)0.0584 (3)
Zn20.83165 (5)0.47991 (9)0.67704 (7)0.0607 (3)
N10.2510 (3)0.7810 (6)1.0852 (4)0.0532 (16)
N20.1161 (3)0.5510 (7)0.9488 (5)0.0576 (17)
N30.8326 (3)0.6709 (6)0.7136 (4)0.0564 (17)
N40.8339 (4)0.4403 (7)0.5771 (5)0.0655 (19)
O10.1211 (3)0.8579 (6)1.0229 (4)0.0700 (16)
O20.1191 (3)0.7851 (6)0.8588 (5)0.0798 (18)
O30.7464 (3)0.4314 (6)0.6348 (5)0.0784 (18)
O40.9065 (3)0.3672 (6)0.7734 (4)0.0734 (16)
C10.0849 (4)0.5024 (9)0.8641 (6)0.065 (2)
H10.06840.41430.85270.078*
C20.0724 (4)0.5664 (9)0.7863 (6)0.060 (2)
C30.0897 (5)0.7039 (9)0.7868 (7)0.068 (3)
C40.0754 (6)0.7463 (15)0.7058 (7)0.110 (4)
H40.08720.83440.70470.133*
C50.0458 (8)0.6677 (19)0.6294 (10)0.146 (6)
H50.03890.70080.57820.175*
C60.0255 (7)0.5386 (19)0.6264 (9)0.143 (6)
H60.00200.48600.57160.172*
C70.0404 (4)0.4876 (13)0.7059 (6)0.090 (3)
H70.02860.39860.70520.108*
C80.1229 (5)0.4678 (10)1.0164 (6)0.076 (3)
H80.10800.37340.99690.091*
C90.1823 (7)0.4890 (14)1.1204 (7)0.104 (3)
H9A0.20330.40951.16120.125*
H9B0.21370.56181.13940.125*
C100.1140 (8)0.5260 (13)1.0778 (9)0.111 (4)
H10A0.10320.62171.07070.133*
H10B0.09280.46951.09250.133*
C110.2704 (4)0.8753 (8)1.1459 (6)0.060 (2)
H110.31720.89051.19260.072*
C120.2300 (4)0.9603 (8)1.1518 (5)0.0539 (19)
C130.1587 (5)0.9462 (8)1.0925 (6)0.058 (2)
C140.1275 (6)1.0319 (10)1.1118 (7)0.084 (3)
H140.08111.02291.07620.101*
C150.1652 (8)1.1295 (11)1.1831 (9)0.095 (4)
H150.14301.18881.19170.114*
C160.2339 (7)1.1402 (10)1.2406 (8)0.090 (3)
H160.25881.20271.29030.108*
C170.2659 (5)1.0586 (8)1.2247 (6)0.069 (2)
H170.31271.06801.26300.083*
C180.3019 (4)0.7143 (9)1.0942 (7)0.073 (3)
H180.34930.73481.15240.088*
C190.2898 (6)0.6849 (12)1.0083 (9)0.097 (3)
H19A0.24650.71320.94690.117*
H19B0.32840.69081.01420.117*
C200.2889 (5)0.5733 (12)1.0576 (9)0.101 (4)
H20A0.32700.51051.09400.122*
H20B0.24510.53291.02660.122*
C210.7802 (4)0.7168 (8)0.6968 (5)0.057 (2)
H210.78420.80530.71670.069*
C220.7173 (4)0.6509 (9)0.6520 (6)0.060 (2)
C230.7048 (4)0.5124 (10)0.6259 (6)0.070 (3)
C240.6408 (5)0.4618 (14)0.5887 (8)0.106 (4)
H240.62900.37270.56690.127*
C250.5964 (6)0.5382 (19)0.5836 (11)0.131 (5)
H250.55700.49850.56310.157*
C260.6089 (6)0.6728 (19)0.6083 (9)0.116 (4)
H260.57760.72610.60200.139*
C270.6702 (5)0.7270 (13)0.6433 (6)0.084 (3)
H270.67980.81770.66140.101*
C280.8916 (4)0.7568 (10)0.7599 (6)0.078 (3)
H280.88580.85170.76820.094*
C290.9351 (6)0.7351 (12)0.7411 (9)0.099 (3)
H29A0.92410.66000.70000.119*
H29B0.95370.81440.73600.119*
C300.9597 (5)0.7038 (13)0.8332 (9)0.104 (4)
H30A0.96450.60890.85010.124*
H30B0.99410.76320.88610.124*
C310.8725 (4)0.3456 (9)0.5902 (6)0.069 (2)
H310.86930.32880.53970.083*
C320.9209 (4)0.2616 (8)0.6754 (6)0.061 (2)
C330.9344 (4)0.2772 (7)0.7580 (6)0.058 (2)
C340.9846 (5)0.1869 (10)0.8358 (7)0.079 (3)
H340.99610.19310.89350.094*
C351.0159 (5)0.0904 (11)0.8239 (11)0.101 (4)
H351.04730.03100.87390.121*
C361.0021 (6)0.0798 (12)0.7412 (11)0.104 (4)
H361.02520.01820.73550.125*
C370.9540 (5)0.1617 (9)0.6690 (8)0.081 (3)
H370.94200.15130.61100.097*
C380.7906 (5)0.5095 (9)0.4856 (7)0.085 (3)
H380.79850.48720.44440.103*
C390.7694 (7)0.6470 (13)0.4794 (8)0.106 (4)
H39A0.76540.70860.43650.127*
H39B0.78510.68840.53730.127*
C400.7193 (6)0.5366 (12)0.4365 (7)0.108 (4)
H40A0.70450.50960.46830.130*
H40B0.68470.52980.36740.130*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0673 (6)0.0426 (5)0.0560 (6)0.0015 (5)0.0388 (5)0.0034 (5)
Zn20.0673 (6)0.0407 (5)0.0649 (6)0.0018 (5)0.0419 (5)0.0022 (5)
N10.064 (4)0.035 (4)0.057 (4)0.001 (3)0.040 (4)0.008 (3)
N20.062 (4)0.050 (4)0.059 (5)0.005 (3)0.041 (4)0.002 (3)
N30.060 (4)0.047 (4)0.052 (4)0.009 (3)0.034 (4)0.008 (3)
N40.079 (5)0.042 (4)0.075 (5)0.007 (3)0.053 (4)0.006 (3)
O10.072 (4)0.052 (4)0.078 (4)0.008 (3)0.048 (4)0.008 (3)
O20.111 (5)0.056 (4)0.070 (4)0.014 (3)0.061 (4)0.004 (3)
O30.072 (4)0.052 (4)0.095 (5)0.004 (3)0.051 (4)0.007 (3)
O40.074 (4)0.057 (4)0.069 (4)0.012 (3)0.041 (3)0.018 (3)
C10.054 (5)0.058 (6)0.071 (6)0.016 (4)0.039 (5)0.022 (5)
C20.058 (5)0.068 (6)0.044 (5)0.008 (4)0.031 (4)0.005 (4)
C30.080 (6)0.068 (7)0.064 (6)0.003 (5)0.053 (5)0.005 (5)
C40.140 (10)0.108 (9)0.064 (7)0.006 (9)0.063 (7)0.009 (8)
C50.183 (15)0.152 (15)0.068 (9)0.029 (12)0.073 (10)0.006 (9)
C60.156 (12)0.176 (18)0.052 (8)0.057 (11)0.055 (8)0.035 (8)
C70.078 (6)0.104 (8)0.057 (6)0.034 (7)0.035 (5)0.029 (6)
C80.097 (7)0.050 (5)0.076 (6)0.012 (5)0.058 (6)0.004 (5)
C90.129 (9)0.087 (8)0.069 (7)0.005 (8)0.058 (7)0.021 (7)
C100.178 (13)0.103 (10)0.102 (9)0.014 (9)0.116 (10)0.002 (7)
C110.064 (5)0.061 (5)0.057 (5)0.001 (4)0.043 (5)0.006 (4)
C120.078 (5)0.039 (4)0.051 (5)0.005 (4)0.047 (4)0.001 (4)
C130.080 (6)0.043 (5)0.062 (6)0.007 (4)0.053 (5)0.010 (4)
C140.108 (8)0.076 (7)0.086 (7)0.022 (6)0.074 (7)0.006 (5)
C150.155 (12)0.057 (6)0.103 (9)0.018 (7)0.100 (10)0.003 (6)
C160.141 (11)0.056 (6)0.074 (8)0.002 (7)0.075 (8)0.011 (5)
C170.084 (6)0.045 (5)0.071 (6)0.002 (4)0.051 (6)0.008 (4)
C180.061 (5)0.068 (6)0.087 (6)0.009 (4)0.049 (5)0.024 (5)
C190.104 (8)0.101 (9)0.115 (9)0.010 (6)0.086 (8)0.014 (7)
C200.092 (8)0.071 (7)0.131 (11)0.008 (6)0.073 (8)0.012 (7)
C210.059 (5)0.053 (5)0.045 (4)0.006 (4)0.030 (4)0.006 (4)
C220.048 (5)0.067 (6)0.056 (5)0.009 (4)0.032 (4)0.002 (4)
C230.065 (6)0.066 (7)0.052 (5)0.008 (5)0.030 (5)0.004 (4)
C240.061 (6)0.103 (9)0.117 (9)0.012 (7)0.047 (6)0.004 (8)
C250.068 (7)0.143 (15)0.151 (13)0.005 (8)0.064 (9)0.015 (10)
C260.074 (8)0.149 (14)0.102 (9)0.033 (8)0.051 (7)0.019 (9)
C270.069 (6)0.094 (7)0.071 (6)0.003 (6)0.041 (5)0.009 (6)
C280.070 (6)0.052 (6)0.090 (7)0.021 (5)0.046 (6)0.019 (5)
C290.119 (8)0.072 (7)0.159 (11)0.034 (7)0.116 (9)0.025 (8)
C300.059 (6)0.095 (9)0.122 (10)0.012 (6)0.049 (7)0.011 (7)
C310.081 (6)0.050 (5)0.070 (6)0.005 (5)0.049 (5)0.007 (4)
C320.063 (5)0.039 (5)0.070 (6)0.003 (4)0.041 (5)0.004 (4)
C330.046 (4)0.037 (5)0.056 (6)0.006 (3)0.022 (4)0.002 (4)
C340.067 (6)0.068 (7)0.074 (7)0.009 (5)0.038 (5)0.011 (5)
C350.056 (6)0.048 (6)0.146 (12)0.003 (5)0.049 (8)0.010 (7)
C360.088 (8)0.063 (7)0.137 (12)0.009 (6)0.067 (9)0.002 (8)
C370.087 (7)0.050 (6)0.089 (7)0.006 (5)0.054 (6)0.004 (5)
C380.111 (8)0.060 (7)0.070 (6)0.027 (6)0.056 (6)0.013 (5)
C390.147 (11)0.080 (8)0.064 (7)0.039 (8)0.062 (8)0.029 (6)
C400.118 (10)0.089 (9)0.053 (6)0.025 (7)0.034 (7)0.018 (6)
Geometric parameters (Å, º) top
Zn1—O11.892 (6)C16—H160.93
Zn1—O21.901 (7)C17—H170.93
Zn1—N11.996 (6)C18—C191.478 (13)
Zn1—N22.006 (7)C18—C201.488 (13)
Zn2—O31.899 (6)C18—H180.98
Zn2—O41.898 (6)C19—C201.465 (15)
Zn2—N32.005 (7)C19—H19A0.97
Zn2—N42.006 (7)C19—H19B0.97
N1—C111.290 (10)C20—H20A0.97
N1—C181.424 (10)C20—H20B0.97
N2—C11.308 (10)C21—C221.428 (11)
N2—C81.442 (11)C21—H210.93
N3—C211.296 (9)C22—C271.383 (12)
N3—C281.447 (10)C22—C231.414 (12)
N4—C311.288 (10)C23—C241.430 (12)
N4—C381.451 (11)C24—C251.361 (17)
O1—C131.310 (10)C24—H240.93
O2—C31.296 (10)C25—C261.372 (18)
O3—C231.289 (10)C25—H250.93
O4—C331.322 (10)C26—C271.393 (16)
C1—C21.439 (12)C26—H260.93
C1—H10.93C27—H270.93
C2—C71.382 (12)C28—C301.440 (13)
C2—C31.432 (12)C28—C291.463 (13)
C3—C41.391 (13)C28—H280.98
C4—C51.337 (18)C29—C301.436 (15)
C4—H40.93C29—H29A0.97
C5—C61.372 (19)C29—H29B0.97
C5—H50.93C30—H30A0.97
C6—C71.383 (16)C30—H30B0.97
C6—H60.93C31—C321.462 (11)
C7—H70.93C31—H310.93
C8—C101.475 (14)C32—C331.376 (12)
C8—C91.486 (13)C32—C371.393 (12)
C8—H80.98C33—C341.443 (12)
C9—C101.456 (16)C34—C351.391 (14)
C9—H9A0.97C34—H340.93
C9—H9B0.97C35—C361.368 (16)
C10—H10A0.97C35—H350.93
C10—H10B0.97C36—C371.338 (14)
C11—C121.442 (10)C36—H360.93
C11—H110.93C37—H370.93
C12—C171.407 (11)C38—C391.444 (14)
C12—C131.414 (11)C38—C401.471 (15)
C13—C141.411 (12)C38—H380.98
C14—C151.388 (15)C39—C401.469 (16)
C14—H140.93C39—H39A0.97
C15—C161.361 (15)C39—H39B0.97
C15—H150.93C40—H40A0.97
C16—C171.360 (13)C40—H40B0.97
O1—Zn1—O2115.5 (3)C19—C18—H18115.7
O1—Zn1—N197.2 (3)C20—C18—H18115.7
O2—Zn1—N1111.2 (3)C20—C19—C1860.7 (7)
O1—Zn1—N2116.2 (3)C20—C19—H19A117.7
O2—Zn1—N296.8 (3)C18—C19—H19A117.7
N1—Zn1—N2121.0 (3)C20—C19—H19B117.7
O3—Zn2—O4115.6 (3)C18—C19—H19B117.7
O3—Zn2—N396.1 (3)H19A—C19—H19B114.8
O4—Zn2—N3117.3 (3)C19—C20—C1860.1 (7)
O3—Zn2—N4111.5 (3)C19—C20—H20A117.8
O4—Zn2—N496.4 (3)C18—C20—H20A117.8
N3—Zn2—N4121.2 (3)C19—C20—H20B117.8
C11—N1—C18117.8 (7)C18—C20—H20B117.8
C11—N1—Zn1118.9 (6)H20A—C20—H20B114.9
C18—N1—Zn1123.2 (5)N3—C21—C22129.2 (8)
C1—N2—C8119.4 (8)N3—C21—H21115.4
C1—N2—Zn1119.0 (6)C22—C21—H21115.4
C8—N2—Zn1121.5 (6)C27—C22—C23120.5 (9)
C21—N3—C28119.9 (7)C27—C22—C21116.0 (9)
C21—N3—Zn2119.5 (5)C23—C22—C21123.2 (8)
C28—N3—Zn2120.6 (6)O3—C23—C22125.4 (8)
C31—N4—C38116.5 (8)O3—C23—C24119.5 (9)
C31—N4—Zn2120.5 (6)C22—C23—C24115.1 (10)
C38—N4—Zn2122.9 (6)C25—C24—C23122.9 (13)
C13—O1—Zn1125.8 (5)C25—C24—H24118.6
C3—O2—Zn1127.1 (5)C23—C24—H24118.6
C23—O3—Zn2126.0 (5)C24—C25—C26121.2 (13)
C33—O4—Zn2124.1 (5)C24—C25—H25119.4
N2—C1—C2128.9 (8)C26—C25—H25119.4
N2—C1—H1115.5C25—C26—C27117.8 (12)
C2—C1—H1115.5C25—C26—H26121.1
C7—C2—C3119.4 (9)C27—C26—H26121.1
C7—C2—C1116.1 (9)C22—C27—C26122.4 (12)
C3—C2—C1124.5 (8)C22—C27—H27118.8
O2—C3—C4120.6 (10)C26—C27—H27118.8
O2—C3—C2123.3 (8)C30—C28—N3120.9 (9)
C4—C3—C2116.1 (10)C30—C28—C2959.3 (7)
C5—C4—C3123.8 (14)N3—C28—C29119.4 (8)
C5—C4—H4118.1C30—C28—H28115.3
C3—C4—H4118.1N3—C28—H28115.3
C4—C5—C6120.3 (13)C29—C28—H28115.3
C4—C5—H5119.9C30—C29—C2859.6 (7)
C6—C5—H5119.9C30—C29—H29A117.8
C5—C6—C7119.2 (12)C28—C29—H29A117.8
C5—C6—H6120.4C30—C29—H29B117.8
C7—C6—H6120.4C28—C29—H29B117.8
C2—C7—C6121.2 (12)H29A—C29—H29B115.0
C2—C7—H7119.4C28—C30—C2961.1 (7)
C6—C7—H7119.4C28—C30—H30A117.7
N2—C8—C10120.9 (9)C29—C30—H30A117.7
N2—C8—C9119.1 (8)C28—C30—H30B117.7
C10—C8—C958.9 (8)C29—C30—H30B117.7
N2—C8—H8115.4H30A—C30—H30B114.8
C10—C8—H8115.4N4—C31—C32127.4 (9)
C9—C8—H8115.4N4—C31—H31116.3
C10—C9—C860.2 (7)C32—C31—H31116.3
C10—C9—H9A117.8C33—C32—C37120.5 (8)
C8—C9—H9A117.8C33—C32—C31123.9 (8)
C10—C9—H9B117.8C37—C32—C31115.6 (9)
C8—C9—H9B117.8O4—C33—C32126.6 (7)
H9A—C9—H9B114.9O4—C33—C34117.1 (9)
C9—C10—C860.9 (7)C32—C33—C34116.3 (9)
C9—C10—H10A117.7C35—C34—C33119.7 (10)
C8—C10—H10A117.7C35—C34—H34120.2
C9—C10—H10B117.7C33—C34—H34120.2
C8—C10—H10B117.7C36—C35—C34122.2 (11)
H10A—C10—H10B114.8C36—C35—H35118.9
N1—C11—C12129.3 (8)C34—C35—H35118.9
N1—C11—H11115.4C37—C36—C35117.3 (12)
C12—C11—H11115.4C37—C36—H36121.3
C17—C12—C13119.6 (7)C35—C36—H36121.3
C17—C12—C11116.2 (8)C36—C37—C32123.8 (11)
C13—C12—C11124.2 (7)C36—C37—H37118.1
O1—C13—C14119.1 (8)C32—C37—H37118.1
O1—C13—C12123.9 (7)C39—C38—N4119.0 (9)
C14—C13—C12117.0 (8)C39—C38—C4060.5 (7)
C15—C14—C13120.9 (10)N4—C38—C40118.1 (9)
C15—C14—H14119.6C39—C38—H38115.9
C13—C14—H14119.6N4—C38—H38115.9
C16—C15—C14121.3 (10)C40—C38—H38115.9
C16—C15—H15119.4C38—C39—C4060.7 (8)
C14—C15—H15119.4C38—C39—H39A117.7
C15—C16—C17119.4 (10)C40—C39—H39A117.7
C15—C16—H16120.3C38—C39—H39B117.7
C17—C16—H16120.3C40—C39—H39B117.7
C16—C17—C12121.6 (9)H39A—C39—H39B114.8
C16—C17—H17119.2C38—C40—C3958.8 (7)
C12—C17—H17119.2C38—C40—H40A117.9
N1—C18—C19120.2 (8)C39—C40—H40A117.9
N1—C18—C20118.7 (8)C38—C40—H40B117.9
C19—C18—C2059.2 (7)C39—C40—H40B117.9
N1—C18—H18115.7H40A—C40—H40B115.0
O1—Zn1—N1—C116.6 (6)Zn1—O1—C13—C125.2 (11)
O2—Zn1—N1—C11114.4 (6)C17—C12—C13—O1179.9 (7)
N2—Zn1—N1—C11133.2 (6)C11—C12—C13—O13.1 (12)
O1—Zn1—N1—C18176.4 (6)C17—C12—C13—C141.1 (11)
O2—Zn1—N1—C1862.6 (7)C11—C12—C13—C14175.8 (7)
N2—Zn1—N1—C1849.9 (7)O1—C13—C14—C15178.1 (9)
O1—Zn1—N2—C1125.0 (6)C12—C13—C14—C152.9 (13)
O2—Zn1—N2—C12.1 (6)C13—C14—C15—C164.2 (16)
N1—Zn1—N2—C1117.7 (6)C14—C15—C16—C173.6 (17)
O1—Zn1—N2—C853.4 (7)C15—C16—C17—C121.8 (15)
O2—Zn1—N2—C8176.2 (6)C13—C12—C17—C160.6 (13)
N1—Zn1—N2—C864.0 (7)C11—C12—C17—C16176.6 (8)
O3—Zn2—N3—C214.2 (6)C11—N1—C18—C19137.2 (9)
O4—Zn2—N3—C21127.1 (6)Zn1—N1—C18—C1939.8 (11)
N4—Zn2—N3—C21115.6 (6)C11—N1—C18—C20153.7 (9)
O3—Zn2—N3—C28174.7 (6)Zn1—N1—C18—C2029.3 (12)
O4—Zn2—N3—C2851.8 (7)N1—C18—C19—C20107.5 (10)
N4—Zn2—N3—C2865.5 (7)N1—C18—C20—C19109.9 (10)
O3—Zn2—N4—C31111.5 (7)C28—N3—C21—C22179.6 (8)
O4—Zn2—N4—C319.3 (7)Zn2—N3—C21—C221.5 (11)
N3—Zn2—N4—C31136.6 (6)N3—C21—C22—C27179.5 (8)
O3—Zn2—N4—C3865.1 (7)N3—C21—C22—C236.6 (14)
O4—Zn2—N4—C38174.1 (7)Zn2—O3—C23—C224.2 (13)
N3—Zn2—N4—C3846.8 (8)Zn2—O3—C23—C24177.0 (7)
O2—Zn1—O1—C13108.8 (6)C27—C22—C23—O3177.1 (8)
N1—Zn1—O1—C138.9 (7)C21—C22—C23—O33.5 (14)
N2—Zn1—O1—C13138.8 (6)C27—C22—C23—C241.7 (13)
O1—Zn1—O2—C3128.7 (7)C21—C22—C23—C24175.4 (8)
N1—Zn1—O2—C3121.7 (7)O3—C23—C24—C25175.1 (11)
N2—Zn1—O2—C35.4 (8)C22—C23—C24—C253.8 (16)
O4—Zn2—O3—C23131.3 (7)C23—C24—C25—C265 (2)
N3—Zn2—O3—C237.0 (7)C24—C25—C26—C273 (2)
N4—Zn2—O3—C23120.0 (7)C23—C22—C27—C260.5 (14)
O3—Zn2—O4—C33105.6 (6)C21—C22—C27—C26174.6 (9)
N3—Zn2—O4—C33142.0 (6)C25—C26—C27—C221.2 (18)
N4—Zn2—O4—C3311.9 (6)C21—N3—C28—C30138.0 (10)
C8—N2—C1—C2179.9 (8)Zn2—N3—C28—C3040.9 (12)
Zn1—N2—C1—C21.7 (12)C21—N3—C28—C29152.2 (9)
N2—C1—C2—C7177.3 (8)Zn2—N3—C28—C2928.9 (12)
N2—C1—C2—C33.9 (14)N3—C28—C29—C30110.5 (11)
Zn1—O2—C3—C4173.0 (8)N3—C28—C30—C29108.1 (11)
Zn1—O2—C3—C24.7 (13)C38—N4—C31—C32179.6 (8)
C7—C2—C3—O2179.2 (9)Zn2—N4—C31—C323.6 (12)
C1—C2—C3—O20.4 (14)N4—C31—C32—C333.2 (14)
C7—C2—C3—C43.1 (13)N4—C31—C32—C37177.0 (8)
C1—C2—C3—C4178.2 (9)Zn2—O4—C33—C329.0 (11)
O2—C3—C4—C5179.5 (13)Zn2—O4—C33—C34171.8 (5)
C2—C3—C4—C51.7 (18)C37—C32—C33—O4179.8 (8)
C3—C4—C5—C62 (3)C31—C32—C33—O40.4 (13)
C4—C5—C6—C75 (3)C37—C32—C33—C341.0 (11)
C3—C2—C7—C60.8 (16)C31—C32—C33—C34178.8 (7)
C1—C2—C7—C6179.6 (11)O4—C33—C34—C35179.8 (8)
C5—C6—C7—C23 (2)C32—C33—C34—C350.4 (12)
C1—N2—C8—C10139.7 (10)C33—C34—C35—C361.8 (15)
Zn1—N2—C8—C1038.6 (12)C34—C35—C36—C373.6 (18)
C1—N2—C8—C9151.1 (10)C35—C36—C37—C324.2 (17)
Zn1—N2—C8—C930.5 (12)C33—C32—C37—C363.0 (15)
N2—C8—C9—C10110.6 (11)C31—C32—C37—C36176.8 (10)
N2—C8—C10—C9107.5 (11)C31—N4—C38—C39153.6 (10)
C18—N1—C11—C12178.3 (8)Zn2—N4—C38—C3929.7 (14)
Zn1—N1—C11—C121.2 (11)C31—N4—C38—C40136.4 (9)
N1—C11—C12—C17177.7 (8)Zn2—N4—C38—C4040.4 (11)
N1—C11—C12—C135.2 (13)N4—C38—C39—C40107.8 (12)
Zn1—O1—C13—C14175.8 (6)N4—C38—C40—C39109.2 (10)
 

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