metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

{μ-6,6′-Dimeth­­oxy-2,2′-[propane-1,3-diylbis(nitrilo­methanylyl­­idene)]di­phenolato}di­methano­ltrinitrato­samarium(III)zinc(II) methanol disolvate

aThe College of Chemical Engineering & Materials, Eastern Liaoning University, No. 325 Wenhua Road, Yuanbao District, Dandong City, Liaoning Province 118003, People's Republic of China
*Correspondence e-mail: berylliu8090@sina.com

(Received 16 December 2010; accepted 1 March 2011; online 7 April 2011)

In the title complex, [SmZn(C19H20N2O4)(NO3)3(CH3OH)2]·2CH3OH, the ZnII ion is six-coordinated by two O atoms and two N atoms of the deprotonated Schiff base ligand and by two O atoms from methanol mol­ecules, forming a slightly distorted octa­hedral geometry. The SmIII ion is coordinated by six O atoms from three chelating nitrate ligands and four O atoms from the Schiff base ligand, forming a distorted bicapped square-anti­prismatic environment. In the crystal, inter­molecular O—H⋯O hydrogen bonds connect the complex mol­ecules and the two methanol solvent mol­ecules, forming (10[\overline{2}]) sheets.

Related literature

For the isotypic PrIII/NiII complex, see: Liu & Zhang (2008[Liu, F. & Zhang, F. (2008). Acta Cryst. E64, m589.]) and for the isotypic SmIII/NiII complex, see: Liu (2009[Liu, F. (2009). Acta Cryst. E65, m126.]). For a related SmIII/CuII complex, see: Wang et al. (2008[Wang, J.-H., Gao, P., Yan, P.-F., Li, G.-M. & Hou, G.-F. (2008). Acta Cryst. E64, m344.]).

[Scheme 1]

Experimental

Crystal data
  • [SmZn(C19H20N2O4)(NO3)3(CH4O)2]·2CH4O

  • Mr = 870.29

  • Monoclinic, P 21 /c

  • a = 13.1050 (8) Å

  • b = 11.1190 (7) Å

  • c = 22.3240 (13) Å

  • β = 90.999 (1)°

  • V = 3252.4 (3) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 2.61 mm−1

  • T = 296 K

  • 0.32 × 0.26 × 0.24 mm

Data collection
  • Rigaku R-AXIS RAPID CCD diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.489, Tmax = 0.573

  • 23458 measured reflections

  • 5833 independent reflections

  • 4835 reflections with I > 2σ(I)

  • Rint = 0.073

Refinement
  • R[F2 > 2σ(F2)] = 0.070

  • wR(F2) = 0.133

  • S = 1.46

  • 5833 reflections

  • 433 parameters

  • 28 restraints

  • H-atom parameters constrained

  • Δρmax = 0.92 e Å−3

  • Δρmin = −1.14 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
O5—H501⋯O8i 0.82 2.38 3.107 (11) 148
O6—H601⋯O17ii 0.82 1.99 2.654 (10) 138
O17—H17A⋯O16 0.82 1.88 2.688 (13) 167
Symmetry codes: (i) -x+1, -y+1, -z; (ii) [-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: PROCESS-AUTO (Rigaku, 2006[Rigaku (2006). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku, 2007[Rigaku (2007). CrystalStructure. Rigaku/MSC, The Woodlands Texas, USA.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).

Supporting information


Comment top

The title complex, (I), formed with the Schiff base N,N'-bis(2-hydroxy-3-methoxybenzylidene)-1,3-diaminopropane is dinuclear with the SmIII and ZnII atoms linked through two phenolate O atoms from the ligand, and is the same as the bonding in the isostructural PrIII/NiII complex (Liu & Zhang, 2008) and the SmIII/NiII complex (Liu, 2009) with the same ligand as well as a related SmIII/CuII complex (Wang et al., 2008).

In (I) (Fig. 1), the SmIII ion is ten-coordinate, comprising four O atoms from the deprotonated Schiff base ligand and six O atoms from three chelating nitrate ions, forming a distorted bicapped square-antiprismatic environment. The Zn II ion has a slightly distorted six-coordinate stereochemistry comprising two N atoms and two O atoms from the Schiff base ligand and two methanol O atoms. There are two solvent methanol molecules for each complex molecule and in the crystal structure, intermolecular O—H···O hydrogen bonds (Table 1) connect these molecules to the complex molecules to form sheet structures extending along (1 0 -2).

Related literature top

For the isotypic PrIII/NiII complex, see: Liu & Zhang (2008) and for the isotypic SmIII/NiII complex, see: Liu (2009). For a related SmIII/CuII complex, see: Wang et al. (2008).

Experimental top

The title complex was obtained by the treatment of zinc(II) acetate dihydrate (0.0548 g, 0.25 mmol) with the Schiff base [N,N'-bis(2-hydroxy-3-methoxybenzylidene)-1,3-diaminopropane)] (0.0855 g, 0.25 mmol) in methanol (25 ml) at room temperature. The mixture was refluxed for 3 h after the addition of samarium(III) nitrate hexahydrate (0.1111 g, 0.25 mmol). The reaction mixture was cooled and filtered. Diethyl ether was allowed to diffuse slowly into the solution of the filtrate giving colorless single crystals after several days.

Refinement top

H atoms bound to C atoms were placed in calculated positions and treated as riding on their parent atoms, with C—H = 0.93 Å (aromatic C), C—H = 0.97 Å (methylene C), C—H = 0.98 Å (methine C), and with Uiso(H) = 1.2Ueq(C) or C—H = 0.96 Å (methyl C) and with Uiso(H) = 1.5Ueq(C).

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 2006); cell refinement: PROCESS-AUTO (Rigaku, 2006); data reduction: CrystalStructure (Rigaku, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I), showing atom numbering scheme and probability displacement ellipsoids drawn at the 40% level. The dashed line indicates a hydrogen bond.
{µ-6,6'-Dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitrato samarium(III)zinc(II) methanol disolvate top
Crystal data top
[SmZn(C19H20N2O4)(NO3)3(CH4O)2]·2CH4OF(000) = 1748
Mr = 870.29Dx = 1.777 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 26435 reflections
a = 13.1050 (8) Åθ = 3.0–28.1°
b = 11.1190 (7) ŵ = 2.61 mm1
c = 22.3240 (13) ÅT = 296 K
β = 90.999 (1)°Block, colorless
V = 3252.4 (3) Å30.32 × 0.26 × 0.24 mm
Z = 4
Data collection top
Rigaku R-AXIS RAPID CCD
diffractometer
5833 independent reflections
Radiation source: rolling anode4835 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.073
Detector resolution: 10.00 pixels mm-1θmax = 25.2°, θmin = 3.0°
ω scansh = 1415
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1312
Tmin = 0.489, Tmax = 0.573l = 2626
23458 measured reflections
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)] = 0.070Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.133H-atom parameters constrained
S = 1.46 w = 1/[σ2(Fo2) + (0.P)2 + 11.1281P]
where P = (Fo2 + 2Fc2)/3
5833 reflections(Δ/σ)max = 0.001
433 parametersΔρmax = 0.92 e Å3
28 restraintsΔρmin = 1.14 e Å3
Crystal data top
[SmZn(C19H20N2O4)(NO3)3(CH4O)2]·2CH4OV = 3252.4 (3) Å3
Mr = 870.29Z = 4
Monoclinic, P21/cMo Kα radiation
a = 13.1050 (8) ŵ = 2.61 mm1
b = 11.1190 (7) ÅT = 296 K
c = 22.3240 (13) Å0.32 × 0.26 × 0.24 mm
β = 90.999 (1)°
Data collection top
Rigaku R-AXIS RAPID CCD
diffractometer
5833 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
4835 reflections with I > 2σ(I)
Tmin = 0.489, Tmax = 0.573Rint = 0.073
23458 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.07028 restraints
wR(F2) = 0.133H-atom parameters constrained
S = 1.46 w = 1/[σ2(Fo2) + (0.P)2 + 11.1281P]
where P = (Fo2 + 2Fc2)/3
5833 reflectionsΔρmax = 0.92 e Å3
433 parametersΔρmin = 1.14 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*/Ueq
Sm10.71666 (3)0.20224 (3)0.077898 (18)0.02935 (14)
Zn20.67371 (7)0.48266 (8)0.14718 (4)0.0333 (2)
O40.5366 (4)0.1137 (5)0.0902 (3)0.0377 (13)
O10.9006 (4)0.2424 (5)0.0458 (3)0.0399 (14)
O30.6021 (4)0.3198 (4)0.1324 (2)0.0295 (12)
O20.7805 (4)0.3970 (4)0.0965 (2)0.0296 (12)
C170.4629 (6)0.1920 (7)0.1110 (3)0.0314 (17)
N10.7663 (5)0.6321 (5)0.1551 (3)0.0354 (16)
O50.5971 (4)0.5586 (6)0.0634 (2)0.0510 (16)
H5010.53450.56430.06290.076*
C180.5021 (6)0.3023 (7)0.1337 (3)0.0296 (16)
O150.8284 (5)0.1789 (5)0.1690 (3)0.0494 (16)
N20.5487 (5)0.5433 (6)0.1907 (3)0.0342 (15)
C100.6117 (7)0.7520 (8)0.1875 (4)0.050 (2)
H10A0.59420.83030.20350.060*
H10B0.58520.74830.14670.060*
O100.7134 (6)0.0288 (7)0.0057 (4)0.074 (2)
C20.9462 (6)0.3500 (7)0.0634 (4)0.0354 (19)
C130.4309 (6)0.3833 (7)0.1582 (3)0.0317 (17)
N30.6467 (7)0.2925 (7)0.0431 (4)0.053 (2)
N50.7745 (6)0.1072 (7)0.1988 (4)0.0495 (19)
C70.8776 (6)0.4305 (7)0.0910 (3)0.0307 (17)
O120.8114 (7)0.0017 (6)0.0800 (4)0.079 (2)
O90.5881 (5)0.2710 (7)0.0004 (3)0.065 (2)
O140.8046 (6)0.0691 (8)0.2471 (3)0.092 (3)
O70.7385 (6)0.2794 (8)0.0320 (4)0.081 (2)
O60.7404 (5)0.4206 (6)0.2342 (3)0.0532 (17)
H6010.80020.43750.24170.080*
C51.0224 (7)0.5656 (9)0.1023 (4)0.048 (2)
H51.04940.63850.11560.058*
C60.9172 (6)0.5416 (7)0.1100 (4)0.0352 (19)
C41.0844 (7)0.4845 (9)0.0762 (5)0.054 (3)
H41.15320.50230.07170.065*
C31.0465 (7)0.3753 (9)0.0561 (4)0.046 (2)
H31.08920.32010.03790.055*
O110.7952 (6)0.1404 (6)0.0138 (4)0.091 (3)
C110.5599 (8)0.6572 (8)0.2237 (4)0.052 (2)
H11A0.59920.64310.26020.063*
H11B0.49290.68580.23490.063*
C10.9559 (7)0.1707 (8)0.0029 (5)0.057 (3)
H1A0.98190.22200.02780.086*
H1B0.91070.11210.01480.086*
H1C1.01160.13040.02290.086*
C160.3594 (6)0.1679 (7)0.1095 (4)0.038 (2)
H160.33540.09580.09360.046*
C120.4594 (7)0.4961 (7)0.1871 (4)0.037 (2)
H120.40700.53890.20490.045*
C140.3268 (6)0.3562 (8)0.1560 (4)0.040 (2)
H140.28040.41080.17150.048*
O80.6132 (7)0.3274 (8)0.0915 (3)0.096 (3)
C150.2921 (6)0.2508 (8)0.1317 (4)0.045 (2)
H150.22230.23510.13000.054*
C80.8570 (7)0.6358 (7)0.1382 (4)0.040 (2)
H80.89060.70860.14450.048*
C90.7269 (8)0.7413 (8)0.1862 (5)0.053 (3)
H9A0.75400.81200.16670.064*
H9B0.75300.74100.22720.064*
O130.6889 (5)0.0797 (6)0.1765 (3)0.064 (2)
C200.6512 (8)0.5994 (9)0.0100 (3)0.064 (3)
H20A0.66880.68280.01440.097*
H20B0.60790.58930.02480.097*
H20C0.71220.55270.00540.097*
N40.7733 (6)0.0421 (7)0.0331 (4)0.055 (2)
C210.6852 (9)0.3553 (10)0.2808 (4)0.079 (4)
H21A0.62350.32190.26390.119*
H21B0.66850.40970.31260.119*
H21C0.72740.29170.29640.119*
C190.5092 (7)0.0105 (7)0.0849 (5)0.059 (3)
H19A0.47690.03620.12100.089*
H19B0.56940.05760.07870.089*
H19C0.46280.02080.05160.089*
O171.1227 (7)0.0443 (8)0.2022 (4)0.091 (3)
H17A1.09200.10500.21240.136*
C231.0781 (12)0.0015 (13)0.1456 (5)0.118 (5)
H23A1.01690.04550.15380.178*
H23B1.12620.05360.12660.178*
H23C1.06220.06480.11950.178*
C221.0335 (10)0.3366 (9)0.2225 (6)0.091 (4)
H22A1.05130.32680.18120.136*
H22B1.09080.36890.24450.136*
H22C0.97670.39070.22520.136*
O161.0056 (8)0.2192 (8)0.2477 (5)0.105 (3)
H16A0.95250.22590.26640.157*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sm10.0255 (2)0.0275 (2)0.0350 (2)0.00215 (19)0.00014 (15)0.00476 (18)
Zn20.0302 (5)0.0289 (5)0.0409 (6)0.0001 (4)0.0052 (4)0.0079 (4)
O40.030 (3)0.028 (3)0.055 (4)0.005 (2)0.004 (3)0.005 (3)
O10.031 (3)0.039 (3)0.051 (4)0.000 (3)0.009 (3)0.008 (3)
O30.020 (3)0.027 (3)0.041 (3)0.002 (2)0.004 (2)0.006 (2)
O20.021 (3)0.027 (3)0.041 (3)0.003 (2)0.008 (2)0.006 (2)
C170.030 (4)0.035 (4)0.029 (4)0.003 (4)0.000 (3)0.004 (3)
N10.041 (4)0.026 (4)0.039 (4)0.004 (3)0.001 (3)0.004 (3)
O50.038 (4)0.070 (4)0.045 (4)0.006 (3)0.001 (3)0.012 (3)
C180.031 (4)0.033 (4)0.024 (4)0.003 (4)0.000 (3)0.004 (3)
O150.051 (4)0.048 (4)0.049 (4)0.009 (3)0.011 (3)0.008 (3)
N20.032 (4)0.035 (4)0.035 (4)0.005 (3)0.003 (3)0.009 (3)
C100.061 (7)0.032 (4)0.057 (6)0.014 (5)0.001 (5)0.015 (4)
O100.058 (5)0.066 (5)0.097 (6)0.021 (4)0.019 (4)0.043 (4)
C20.031 (5)0.040 (5)0.035 (5)0.002 (4)0.001 (4)0.004 (4)
C130.032 (4)0.036 (4)0.028 (4)0.003 (4)0.004 (3)0.004 (3)
N30.055 (5)0.055 (5)0.049 (5)0.007 (4)0.012 (4)0.007 (4)
N50.045 (5)0.054 (5)0.050 (5)0.008 (4)0.001 (4)0.012 (4)
C70.026 (4)0.036 (4)0.030 (4)0.004 (3)0.001 (3)0.009 (3)
O120.109 (7)0.059 (5)0.068 (5)0.026 (4)0.015 (5)0.012 (4)
O90.050 (4)0.093 (6)0.052 (4)0.017 (4)0.001 (4)0.010 (4)
O140.091 (6)0.124 (7)0.061 (5)0.016 (5)0.012 (4)0.045 (5)
O70.044 (4)0.125 (7)0.074 (5)0.011 (5)0.001 (4)0.033 (5)
O60.048 (4)0.064 (4)0.047 (4)0.007 (3)0.007 (3)0.010 (3)
C50.036 (5)0.053 (6)0.057 (6)0.016 (4)0.003 (4)0.004 (5)
C60.036 (5)0.035 (4)0.035 (4)0.006 (4)0.005 (4)0.006 (3)
C40.024 (5)0.068 (7)0.070 (7)0.008 (5)0.008 (5)0.006 (5)
C30.029 (5)0.057 (6)0.052 (6)0.005 (4)0.006 (4)0.004 (4)
O110.065 (5)0.054 (5)0.155 (8)0.016 (4)0.002 (5)0.056 (5)
C110.052 (6)0.051 (6)0.054 (6)0.004 (5)0.009 (5)0.022 (5)
C10.050 (6)0.053 (6)0.069 (7)0.009 (5)0.024 (5)0.012 (5)
C160.030 (5)0.042 (5)0.043 (5)0.009 (4)0.003 (4)0.002 (4)
C120.039 (5)0.041 (5)0.032 (4)0.016 (4)0.003 (4)0.000 (4)
C140.022 (4)0.052 (5)0.046 (5)0.005 (4)0.005 (4)0.005 (4)
O80.098 (7)0.134 (8)0.055 (5)0.017 (6)0.023 (5)0.034 (5)
C150.019 (4)0.060 (6)0.056 (6)0.004 (4)0.000 (4)0.003 (5)
C80.045 (6)0.033 (5)0.041 (5)0.017 (4)0.003 (4)0.003 (4)
C90.065 (7)0.032 (5)0.063 (6)0.006 (5)0.003 (5)0.013 (4)
O130.041 (4)0.075 (5)0.076 (5)0.003 (4)0.009 (4)0.024 (4)
C200.072 (8)0.072 (7)0.049 (6)0.003 (6)0.005 (5)0.020 (5)
N40.039 (5)0.042 (5)0.082 (7)0.002 (4)0.015 (5)0.020 (4)
C210.092 (10)0.082 (8)0.064 (8)0.018 (7)0.011 (7)0.012 (6)
C190.046 (6)0.029 (5)0.103 (9)0.006 (4)0.014 (6)0.006 (5)
O170.089 (4)0.094 (4)0.089 (4)0.003 (4)0.019 (4)0.003 (4)
C230.118 (7)0.122 (7)0.114 (7)0.002 (5)0.004 (5)0.001 (5)
C220.089 (6)0.094 (5)0.090 (6)0.006 (4)0.004 (4)0.005 (4)
O160.095 (5)0.109 (5)0.110 (5)0.000 (4)0.014 (4)0.001 (4)
Geometric parameters (Å, º) top
Sm1—O32.346 (5)N5—O131.256 (9)
Sm1—O22.356 (5)C7—C61.402 (10)
Sm1—O152.499 (6)O12—N41.237 (10)
Sm1—O102.512 (6)O6—C211.469 (12)
Sm1—O92.525 (6)O6—H6010.8208
Sm1—O12.565 (5)C5—C41.353 (13)
Sm1—O42.576 (5)C5—C61.418 (11)
Sm1—O122.586 (7)C5—H50.9300
Sm1—O72.620 (7)C6—C81.461 (12)
Sm1—O132.620 (7)C4—C31.383 (13)
Sm1—N52.984 (8)C4—H40.9300
Sm1—N42.993 (8)C3—H30.9300
Zn2—N22.035 (6)O11—N41.211 (9)
Zn2—O22.050 (5)C11—H11A0.9700
Zn2—N12.063 (6)C11—H11B0.9700
Zn2—O32.064 (5)C1—H1A0.9600
Zn2—O62.225 (6)C1—H1B0.9600
Zn2—O52.270 (6)C1—H1C0.9600
O4—C171.386 (9)C16—C151.374 (12)
O4—C191.431 (9)C16—H160.9300
O1—C21.391 (9)C12—H120.9300
O1—C11.450 (10)C14—C151.367 (12)
O3—C181.326 (8)C14—H140.9300
O2—C71.333 (8)C15—H150.9300
C17—C161.383 (11)C8—H80.9300
C17—C181.419 (10)C9—H9A0.9700
N1—C81.255 (10)C9—H9B0.9700
N1—C91.495 (10)C20—H20A0.9600
O5—C201.469 (10)C20—H20B0.9600
O5—H5010.8228C20—H20C0.9600
C18—C131.415 (10)C21—H21A0.9600
O15—N51.263 (9)C21—H21B0.9600
N2—C121.284 (10)C21—H21C0.9600
N2—C111.471 (10)C19—H19A0.9600
C10—C111.498 (13)C19—H19B0.9600
C10—C91.516 (13)C19—H19C0.9600
C10—H10A0.9700O17—C231.474 (15)
C10—H10B0.9700O17—H17A0.8200
O10—N41.262 (10)C23—H23A0.9600
C2—C31.358 (11)C23—H23B0.9600
C2—C71.417 (11)C23—H23C0.9600
C13—C141.396 (11)C22—O161.470 (14)
C13—C121.456 (11)C22—H22A0.9600
N3—O81.222 (10)C22—H22B0.9600
N3—O71.233 (10)C22—H22C0.9600
N3—O91.257 (10)O16—H16A0.8200
N5—O141.218 (9)
O3—Sm1—O267.98 (17)C11—C10—C9114.5 (8)
O3—Sm1—O1590.4 (2)C11—C10—H10A108.6
O2—Sm1—O1575.57 (18)C9—C10—H10A108.6
O3—Sm1—O10139.1 (2)C11—C10—H10B108.6
O2—Sm1—O10145.1 (2)C9—C10—H10B108.6
O15—Sm1—O10116.5 (2)H10A—C10—H10B107.6
O3—Sm1—O976.4 (2)N4—O10—Sm199.5 (5)
O2—Sm1—O994.2 (2)C3—C2—O1123.9 (8)
O15—Sm1—O9165.8 (2)C3—C2—C7122.9 (8)
O10—Sm1—O977.6 (2)O1—C2—C7113.2 (7)
O3—Sm1—O1131.33 (16)C14—C13—C18119.9 (7)
O2—Sm1—O163.68 (17)C14—C13—C12116.4 (7)
O15—Sm1—O172.8 (2)C18—C13—C12123.7 (7)
O10—Sm1—O187.7 (2)O8—N3—O7123.3 (9)
O9—Sm1—O1111.9 (2)O8—N3—O9121.1 (9)
O3—Sm1—O464.04 (16)O7—N3—O9115.6 (8)
O2—Sm1—O4130.98 (16)O14—N5—O13122.7 (9)
O15—Sm1—O4113.5 (2)O14—N5—O15120.6 (9)
O10—Sm1—O476.7 (2)O13—N5—O15116.7 (7)
O9—Sm1—O465.7 (2)O14—N5—Sm1175.8 (7)
O1—Sm1—O4164.38 (17)O13—N5—Sm161.1 (4)
O3—Sm1—O12142.2 (2)O15—N5—Sm155.6 (4)
O2—Sm1—O12129.4 (2)O2—C7—C6124.5 (7)
O15—Sm1—O1267.7 (2)O2—C7—C2118.5 (7)
O10—Sm1—O1248.8 (2)C6—C7—C2117.0 (7)
O9—Sm1—O12126.3 (2)N4—O12—Sm196.7 (6)
O1—Sm1—O1272.8 (2)N3—O9—Sm1100.0 (5)
O4—Sm1—O1295.9 (2)N3—O7—Sm196.0 (6)
O3—Sm1—O7112.6 (2)C21—O6—Zn2125.5 (6)
O2—Sm1—O779.6 (2)C21—O6—H601116.7
O15—Sm1—O7136.4 (2)Zn2—O6—H601117.8
O10—Sm1—O769.6 (3)C4—C5—C6121.3 (8)
O9—Sm1—O748.3 (2)C4—C5—H5119.4
O1—Sm1—O764.1 (2)C6—C5—H5119.4
O4—Sm1—O7109.9 (2)C7—C6—C5119.0 (8)
O12—Sm1—O7104.1 (3)C7—C6—C8124.2 (7)
O3—Sm1—O1375.8 (2)C5—C6—C8116.8 (7)
O2—Sm1—O13112.6 (2)C5—C4—C3120.6 (8)
O15—Sm1—O1349.5 (2)C5—C4—H4119.7
O10—Sm1—O1398.0 (3)C3—C4—H4119.7
O9—Sm1—O13129.7 (2)C2—C3—C4119.1 (9)
O1—Sm1—O13118.01 (19)C2—C3—H3120.4
O4—Sm1—O1364.61 (19)C4—C3—H3120.4
O12—Sm1—O1366.6 (2)N2—C11—C10112.2 (7)
O7—Sm1—O13167.5 (3)N2—C11—H11A109.2
O3—Sm1—N583.26 (19)C10—C11—H11A109.2
O2—Sm1—N594.7 (2)N2—C11—H11B109.2
O15—Sm1—N524.7 (2)C10—C11—H11B109.2
O10—Sm1—N5108.0 (2)H11A—C11—H11B107.9
O9—Sm1—N5152.8 (2)O1—C1—H1A109.5
O1—Sm1—N595.1 (2)O1—C1—H1B109.5
O4—Sm1—N589.3 (2)H1A—C1—H1B109.5
O12—Sm1—N563.8 (2)O1—C1—H1C109.5
O7—Sm1—N5158.9 (2)H1A—C1—H1C109.5
O13—Sm1—N524.83 (19)H1B—C1—H1C109.5
O3—Sm1—N4147.52 (19)C15—C16—C17119.8 (8)
O2—Sm1—N4143.50 (19)C15—C16—H16120.1
O15—Sm1—N491.9 (2)C17—C16—H16120.1
O10—Sm1—N424.6 (2)N2—C12—C13127.3 (7)
O9—Sm1—N4102.1 (3)N2—C12—H12116.3
O1—Sm1—N479.92 (19)C13—C12—H12116.3
O4—Sm1—N485.51 (19)C15—C14—C13121.2 (8)
O12—Sm1—N424.2 (2)C15—C14—H14119.4
O7—Sm1—N487.3 (3)C13—C14—H14119.4
O13—Sm1—N481.2 (2)C14—C15—C16120.4 (8)
N5—Sm1—N485.4 (2)C14—C15—H15119.8
N2—Zn2—O2168.8 (2)C16—C15—H15119.8
N2—Zn2—N199.7 (3)N1—C8—C6128.9 (7)
O2—Zn2—N190.9 (2)N1—C8—H8115.6
N2—Zn2—O390.0 (2)C6—C8—H8115.6
O2—Zn2—O379.45 (19)N1—C9—C10115.1 (7)
N1—Zn2—O3170.3 (2)N1—C9—H9A108.5
N2—Zn2—O689.6 (2)C10—C9—H9A108.5
O2—Zn2—O694.4 (2)N1—C9—H9B108.5
N1—Zn2—O687.3 (2)C10—C9—H9B108.5
O3—Zn2—O692.2 (2)H9A—C9—H9B107.5
N2—Zn2—O585.5 (2)N5—O13—Sm194.0 (5)
O2—Zn2—O590.8 (2)O5—C20—H20A109.5
N1—Zn2—O591.3 (2)O5—C20—H20B109.5
O3—Zn2—O590.1 (2)H20A—C20—H20B109.5
O6—Zn2—O5174.6 (2)O5—C20—H20C109.5
N2—Zn2—Sm1129.63 (19)H20A—C20—H20C109.5
O2—Zn2—Sm139.84 (13)H20B—C20—H20C109.5
N1—Zn2—Sm1130.63 (19)O11—N4—O12122.2 (10)
O3—Zn2—Sm139.67 (13)O11—N4—O10122.8 (10)
O6—Zn2—Sm192.59 (17)O12—N4—O10114.9 (8)
O5—Zn2—Sm192.25 (16)O11—N4—Sm1178.7 (8)
C17—O4—C19117.3 (6)O12—N4—Sm159.1 (5)
C17—O4—Sm1116.1 (4)O10—N4—Sm155.9 (4)
C19—O4—Sm1126.1 (5)O6—C21—H21A109.5
C2—O1—C1116.2 (6)O6—C21—H21B109.5
C2—O1—Sm1118.2 (4)H21A—C21—H21B109.5
C1—O1—Sm1124.8 (5)O6—C21—H21C109.5
C18—O3—Zn2124.9 (5)H21A—C21—H21C109.5
C18—O3—Sm1124.8 (4)H21B—C21—H21C109.5
Zn2—O3—Sm1106.2 (2)O4—C19—H19A109.5
C7—O2—Zn2125.6 (5)O4—C19—H19B109.5
C7—O2—Sm1125.2 (4)H19A—C19—H19B109.5
Zn2—O2—Sm1106.3 (2)O4—C19—H19C109.5
C16—C17—O4124.0 (7)H19A—C19—H19C109.5
C16—C17—C18121.6 (7)H19B—C19—H19C109.5
O4—C17—C18114.4 (6)C23—O17—H17A109.5
C8—N1—C9116.7 (7)O17—C23—H23A109.5
C8—N1—Zn2124.0 (6)O17—C23—H23B109.5
C9—N1—Zn2119.1 (6)H23A—C23—H23B109.5
C20—O5—Zn2124.8 (5)O17—C23—H23C109.5
C20—O5—H501117.3H23A—C23—H23C109.5
Zn2—O5—H501117.9H23B—C23—H23C109.5
O3—C18—C13125.0 (7)O16—C22—H22A109.5
O3—C18—C17118.1 (7)O16—C22—H22B109.5
C13—C18—C17116.8 (7)H22A—C22—H22B109.5
N5—O15—Sm199.7 (5)O16—C22—H22C109.5
C12—N2—C11117.8 (7)H22A—C22—H22C109.5
C12—N2—Zn2125.1 (5)H22B—C22—H22C109.5
C11—N2—Zn2116.8 (5)C22—O16—H16A109.5
O3—Sm1—Zn2—N21.4 (3)N1—Zn2—O5—C2054.0 (7)
O2—Sm1—Zn2—N2174.7 (3)O3—Zn2—O5—C20116.4 (7)
O15—Sm1—Zn2—N2106.7 (3)Sm1—Zn2—O5—C2076.7 (7)
O10—Sm1—Zn2—N275.6 (7)Zn2—O3—C18—C1315.2 (10)
O9—Sm1—Zn2—N270.6 (3)Sm1—O3—C18—C13169.2 (5)
O1—Sm1—Zn2—N2177.9 (3)Zn2—O3—C18—C17167.6 (5)
O4—Sm1—Zn2—N25.9 (3)Sm1—O3—C18—C1713.6 (9)
O12—Sm1—Zn2—N2108.8 (4)C16—C17—C18—O3178.6 (7)
O7—Sm1—Zn2—N2117.4 (3)O4—C17—C18—O30.4 (9)
O13—Sm1—Zn2—N259.0 (3)C16—C17—C18—C134.0 (11)
N5—Sm1—Zn2—N283.0 (3)O4—C17—C18—C13177.0 (6)
O3—Sm1—Zn2—O2176.0 (3)O3—Sm1—O15—N572.8 (5)
O15—Sm1—Zn2—O278.6 (3)O2—Sm1—O15—N5139.9 (5)
O10—Sm1—Zn2—O299.0 (7)O10—Sm1—O15—N575.2 (6)
O9—Sm1—Zn2—O2104.1 (3)O9—Sm1—O15—N594.6 (10)
O1—Sm1—Zn2—O27.5 (3)O1—Sm1—O15—N5153.6 (5)
O4—Sm1—Zn2—O2168.8 (3)O4—Sm1—O15—N511.1 (5)
O12—Sm1—Zn2—O276.5 (4)O12—Sm1—O15—N575.6 (5)
O7—Sm1—Zn2—O257.3 (3)O7—Sm1—O15—N5162.8 (5)
O13—Sm1—Zn2—O2126.4 (3)O13—Sm1—O15—N52.0 (5)
N5—Sm1—Zn2—O2102.3 (3)N4—Sm1—O15—N574.8 (5)
O3—Sm1—Zn2—N1179.0 (3)O2—Zn2—N2—C121.2 (17)
O2—Sm1—Zn2—N15.0 (3)N1—Zn2—N2—C12163.0 (7)
O15—Sm1—Zn2—N173.6 (3)O3—Zn2—N2—C1217.6 (7)
O10—Sm1—Zn2—N1104.1 (7)O6—Zn2—N2—C12109.8 (7)
O9—Sm1—Zn2—N1109.1 (3)O5—Zn2—N2—C1272.5 (7)
O1—Sm1—Zn2—N12.5 (3)Sm1—Zn2—N2—C1216.8 (8)
O4—Sm1—Zn2—N1173.8 (3)O2—Zn2—N2—C11172.0 (11)
O12—Sm1—Zn2—N171.5 (4)N1—Zn2—N2—C1110.2 (6)
O7—Sm1—Zn2—N162.3 (3)O3—Zn2—N2—C11169.2 (6)
O13—Sm1—Zn2—N1121.3 (3)O6—Zn2—N2—C1177.0 (6)
N5—Sm1—Zn2—N197.3 (3)O5—Zn2—N2—C11100.7 (6)
O2—Sm1—Zn2—O3176.0 (3)Sm1—Zn2—N2—C11170.1 (5)
O15—Sm1—Zn2—O3105.4 (3)O3—Sm1—O10—N4124.9 (5)
O10—Sm1—Zn2—O377.0 (7)O2—Sm1—O10—N4104.1 (6)
O9—Sm1—Zn2—O371.9 (3)O15—Sm1—O10—N41.0 (7)
O1—Sm1—Zn2—O3176.5 (3)O9—Sm1—O10—N4176.5 (6)
O4—Sm1—Zn2—O37.2 (3)O1—Sm1—O10—N470.5 (6)
O12—Sm1—Zn2—O3107.5 (4)O4—Sm1—O10—N4108.9 (6)
O7—Sm1—Zn2—O3118.7 (3)O12—Sm1—O10—N41.5 (5)
O13—Sm1—Zn2—O357.6 (3)O7—Sm1—O10—N4133.7 (6)
N5—Sm1—Zn2—O381.7 (3)O13—Sm1—O10—N447.5 (6)
O3—Sm1—Zn2—O690.3 (3)N5—Sm1—O10—N424.1 (6)
O2—Sm1—Zn2—O693.7 (3)C1—O1—C2—C318.2 (12)
O15—Sm1—Zn2—O615.1 (2)Sm1—O1—C2—C3171.2 (6)
O10—Sm1—Zn2—O6167.3 (7)C1—O1—C2—C7163.1 (7)
O9—Sm1—Zn2—O6162.2 (2)Sm1—O1—C2—C77.5 (8)
O1—Sm1—Zn2—O686.2 (2)O3—C18—C13—C14178.9 (7)
O4—Sm1—Zn2—O697.5 (2)C17—C18—C13—C143.9 (10)
O12—Sm1—Zn2—O617.2 (4)O3—C18—C13—C121.8 (12)
O7—Sm1—Zn2—O6151.0 (2)C17—C18—C13—C12175.5 (7)
O13—Sm1—Zn2—O632.6 (2)Sm1—O15—N5—O14177.6 (8)
N5—Sm1—Zn2—O68.6 (2)Sm1—O15—N5—O133.6 (8)
O3—Sm1—Zn2—O587.4 (3)O3—Sm1—N5—O1370.5 (5)
O2—Sm1—Zn2—O588.6 (3)O2—Sm1—N5—O13137.6 (5)
O15—Sm1—Zn2—O5167.2 (2)O15—Sm1—N5—O13176.4 (9)
O10—Sm1—Zn2—O510.4 (7)O10—Sm1—N5—O1369.2 (6)
O9—Sm1—Zn2—O515.5 (2)O9—Sm1—N5—O1328.8 (8)
O1—Sm1—Zn2—O596.1 (2)O1—Sm1—N5—O13158.4 (5)
O4—Sm1—Zn2—O580.18 (19)O4—Sm1—N5—O136.6 (5)
O12—Sm1—Zn2—O5165.1 (4)O12—Sm1—N5—O1390.4 (6)
O7—Sm1—Zn2—O531.3 (2)O7—Sm1—N5—O13149.1 (7)
O13—Sm1—Zn2—O5145.1 (2)N4—Sm1—N5—O1379.0 (5)
N5—Sm1—Zn2—O5169.1 (2)O3—Sm1—N5—O15105.9 (5)
O3—Sm1—O4—C1713.0 (5)O2—Sm1—N5—O1538.7 (5)
O2—Sm1—O4—C170.2 (6)O10—Sm1—N5—O15114.5 (5)
O15—Sm1—O4—C1791.2 (5)O9—Sm1—N5—O15147.6 (5)
O10—Sm1—O4—C17155.4 (5)O1—Sm1—N5—O1525.2 (5)
O9—Sm1—O4—C1773.2 (5)O4—Sm1—N5—O15169.8 (5)
O1—Sm1—O4—C17157.6 (6)O12—Sm1—N5—O1593.2 (5)
O12—Sm1—O4—C17159.4 (5)O7—Sm1—N5—O1534.5 (10)
O7—Sm1—O4—C1793.2 (5)O13—Sm1—N5—O15176.4 (9)
O13—Sm1—O4—C1798.9 (5)N4—Sm1—N5—O15104.6 (5)
N5—Sm1—O4—C1795.8 (5)Zn2—O2—C7—C612.6 (10)
N4—Sm1—O4—C17178.7 (5)Sm1—O2—C7—C6170.8 (5)
O3—Sm1—O4—C19158.4 (7)Zn2—O2—C7—C2168.5 (5)
O2—Sm1—O4—C19171.2 (7)Sm1—O2—C7—C210.3 (9)
O15—Sm1—O4—C1980.2 (7)C3—C2—C7—O2179.6 (7)
O10—Sm1—O4—C1933.2 (7)O1—C2—C7—O20.9 (10)
O9—Sm1—O4—C19115.4 (7)C3—C2—C7—C61.5 (12)
O1—Sm1—O4—C1931.0 (11)O1—C2—C7—C6179.8 (6)
O12—Sm1—O4—C1912.0 (7)O3—Sm1—O12—N4119.2 (6)
O7—Sm1—O4—C1995.4 (7)O2—Sm1—O12—N4135.3 (5)
O13—Sm1—O4—C1972.5 (7)O15—Sm1—O12—N4178.0 (7)
N5—Sm1—O4—C1975.6 (7)O10—Sm1—O12—N41.5 (5)
N4—Sm1—O4—C199.9 (7)O9—Sm1—O12—N40.9 (7)
O3—Sm1—O1—C21.6 (6)O1—Sm1—O12—N4103.9 (6)
O2—Sm1—O1—C28.9 (5)O4—Sm1—O12—N465.0 (6)
O15—Sm1—O1—C273.2 (5)O7—Sm1—O12—N447.3 (7)
O10—Sm1—O1—C2168.2 (5)O13—Sm1—O12—N4124.0 (7)
O9—Sm1—O1—C292.5 (5)N5—Sm1—O12—N4151.2 (7)
O4—Sm1—O1—C2170.3 (6)O8—N3—O9—Sm1179.0 (8)
O12—Sm1—O1—C2144.5 (6)O7—N3—O9—Sm13.2 (9)
O7—Sm1—O1—C299.8 (6)O3—Sm1—O9—N3140.0 (6)
O13—Sm1—O1—C294.0 (5)O2—Sm1—O9—N373.8 (6)
N5—Sm1—O1—C283.9 (5)O15—Sm1—O9—N3117.5 (9)
N4—Sm1—O1—C2168.4 (6)O10—Sm1—O9—N371.8 (6)
O3—Sm1—O1—C1168.1 (6)O1—Sm1—O9—N310.5 (6)
O2—Sm1—O1—C1160.8 (7)O4—Sm1—O9—N3152.7 (6)
O15—Sm1—O1—C1117.1 (7)O12—Sm1—O9—N373.7 (7)
O10—Sm1—O1—C11.5 (7)O7—Sm1—O9—N31.8 (5)
O9—Sm1—O1—C177.2 (7)O13—Sm1—O9—N3161.9 (5)
O4—Sm1—O1—C10.6 (11)N5—Sm1—O9—N3177.2 (5)
O12—Sm1—O1—C145.8 (6)N4—Sm1—O9—N373.3 (6)
O7—Sm1—O1—C169.9 (7)O8—N3—O7—Sm1179.2 (9)
O13—Sm1—O1—C196.3 (7)O9—N3—O7—Sm13.0 (9)
N5—Sm1—O1—C1106.4 (7)O3—Sm1—O7—N346.4 (7)
N4—Sm1—O1—C121.9 (7)O2—Sm1—O7—N3107.1 (6)
N2—Zn2—O3—C1821.0 (6)O15—Sm1—O7—N3163.1 (5)
O2—Zn2—O3—C18155.4 (6)O10—Sm1—O7—N389.6 (6)
O6—Zn2—O3—C18110.6 (6)O9—Sm1—O7—N31.8 (5)
O5—Zn2—O3—C1864.6 (5)O1—Sm1—O7—N3172.8 (7)
Sm1—Zn2—O3—C18158.0 (7)O4—Sm1—O7—N322.9 (7)
N2—Zn2—O3—Sm1179.0 (2)O12—Sm1—O7—N3124.7 (6)
O2—Zn2—O3—Sm12.6 (2)O13—Sm1—O7—N384.3 (12)
O6—Zn2—O3—Sm191.5 (2)N5—Sm1—O7—N3176.9 (6)
O5—Zn2—O3—Sm193.4 (2)N4—Sm1—O7—N3107.1 (6)
O2—Sm1—O3—C18155.6 (6)N2—Zn2—O6—C2144.4 (8)
O15—Sm1—O3—C18130.1 (5)O2—Zn2—O6—C21125.1 (7)
O10—Sm1—O3—C183.4 (7)N1—Zn2—O6—C21144.2 (8)
O9—Sm1—O3—C1855.3 (5)O3—Zn2—O6—C2145.5 (7)
O1—Sm1—O3—C18162.6 (5)Sm1—Zn2—O6—C2185.2 (7)
O4—Sm1—O3—C1814.0 (5)O2—C7—C6—C5179.2 (7)
O12—Sm1—O3—C1877.9 (6)C2—C7—C6—C51.9 (11)
O7—Sm1—O3—C1887.9 (6)O2—C7—C6—C80.2 (12)
O13—Sm1—O3—C1882.4 (5)C2—C7—C6—C8178.7 (7)
N5—Sm1—O3—C18106.5 (5)C4—C5—C6—C71.2 (13)
N4—Sm1—O3—C1836.0 (7)C4—C5—C6—C8179.4 (8)
O2—Sm1—O3—Zn22.40 (19)C6—C5—C4—C30.0 (15)
O15—Sm1—O3—Zn271.9 (2)O1—C2—C3—C4178.8 (8)
O10—Sm1—O3—Zn2154.6 (3)C7—C2—C3—C40.2 (13)
O9—Sm1—O3—Zn2102.7 (3)C5—C4—C3—C20.5 (14)
O1—Sm1—O3—Zn24.6 (3)C12—N2—C11—C10127.4 (9)
O4—Sm1—O3—Zn2172.0 (3)Zn2—N2—C11—C1046.3 (10)
O12—Sm1—O3—Zn2124.1 (3)C9—C10—C11—N280.2 (10)
O7—Sm1—O3—Zn270.1 (3)O4—C17—C16—C15179.5 (7)
O13—Sm1—O3—Zn2119.6 (3)C18—C17—C16—C151.5 (12)
N5—Sm1—O3—Zn295.5 (2)C11—N2—C12—C13178.4 (8)
N4—Sm1—O3—Zn2166.0 (4)Zn2—N2—C12—C138.5 (12)
N2—Zn2—O2—C7176.7 (11)C14—C13—C12—N2174.9 (8)
N1—Zn2—O2—C714.6 (6)C18—C13—C12—N25.7 (13)
O3—Zn2—O2—C7164.2 (6)C18—C13—C14—C151.5 (12)
O6—Zn2—O2—C772.8 (6)C12—C13—C14—C15177.9 (8)
O5—Zn2—O2—C7105.9 (6)C13—C14—C15—C161.1 (13)
Sm1—Zn2—O2—C7161.6 (7)C17—C16—C15—C141.1 (13)
N2—Zn2—O2—Sm121.7 (13)C9—N1—C8—C6176.3 (8)
N1—Zn2—O2—Sm1176.2 (2)Zn2—N1—C8—C60.2 (12)
O3—Zn2—O2—Sm12.6 (2)C7—C6—C8—N17.1 (14)
O6—Zn2—O2—Sm188.8 (2)C5—C6—C8—N1172.3 (9)
O5—Zn2—O2—Sm192.5 (2)C8—N1—C9—C10160.4 (8)
O3—Sm1—O2—C7164.1 (6)Zn2—N1—C9—C1023.3 (11)
O15—Sm1—O2—C767.7 (5)C11—C10—C9—N166.1 (11)
O10—Sm1—O2—C748.1 (7)O14—N5—O13—Sm1177.8 (8)
O9—Sm1—O2—C7122.4 (5)O15—N5—O13—Sm13.4 (8)
O1—Sm1—O2—C710.0 (5)O3—Sm1—O13—N5105.0 (5)
O4—Sm1—O2—C7176.5 (5)O2—Sm1—O13—N546.7 (6)
O12—Sm1—O2—C723.7 (6)O15—Sm1—O13—N52.0 (5)
O7—Sm1—O2—C776.2 (5)O10—Sm1—O13—N5116.2 (5)
O13—Sm1—O2—C7101.2 (5)O9—Sm1—O13—N5163.4 (5)
N5—Sm1—O2—C783.3 (5)O1—Sm1—O13—N524.5 (6)
N4—Sm1—O2—C75.4 (7)O4—Sm1—O13—N5172.7 (6)
O3—Sm1—O2—Zn22.41 (19)O12—Sm1—O13—N578.0 (5)
O15—Sm1—O2—Zn294.0 (3)O7—Sm1—O13—N5121.1 (10)
O10—Sm1—O2—Zn2150.2 (3)N4—Sm1—O13—N598.1 (5)
O9—Sm1—O2—Zn275.9 (3)Sm1—O12—N4—O11179.7 (8)
O1—Sm1—O2—Zn2171.7 (3)Sm1—O12—N4—O102.5 (9)
O4—Sm1—O2—Zn214.8 (3)Sm1—O10—N4—O11179.8 (8)
O12—Sm1—O2—Zn2138.0 (3)Sm1—O10—N4—O122.6 (9)
O7—Sm1—O2—Zn2122.2 (3)O3—Sm1—N4—O1295.5 (7)
O13—Sm1—O2—Zn260.5 (3)O2—Sm1—N4—O1266.1 (8)
N5—Sm1—O2—Zn278.4 (2)O15—Sm1—N4—O121.9 (6)
N4—Sm1—O2—Zn2167.1 (3)O10—Sm1—N4—O12177.3 (10)
C19—O4—C17—C1620.7 (11)O9—Sm1—N4—O12179.2 (6)
Sm1—O4—C17—C16167.1 (6)O1—Sm1—N4—O1270.3 (6)
C19—O4—C17—C18160.3 (7)O4—Sm1—N4—O12115.3 (6)
Sm1—O4—C17—C1811.9 (8)O7—Sm1—N4—O12134.5 (6)
N2—Zn2—N1—C8174.9 (7)O13—Sm1—N4—O1250.3 (6)
O2—Zn2—N1—C88.6 (7)N5—Sm1—N4—O1225.7 (6)
O6—Zn2—N1—C885.8 (7)O3—Sm1—N4—O1087.2 (7)
O5—Zn2—N1—C899.4 (7)O2—Sm1—N4—O10111.2 (6)
Sm1—Zn2—N1—C85.3 (8)O15—Sm1—N4—O10179.1 (6)
N2—Zn2—N1—C91.0 (7)O9—Sm1—N4—O103.5 (6)
O2—Zn2—N1—C9175.5 (6)O1—Sm1—N4—O10106.9 (6)
O6—Zn2—N1—C990.2 (6)O4—Sm1—N4—O1067.4 (6)
O5—Zn2—N1—C984.7 (6)O12—Sm1—N4—O10177.3 (10)
Sm1—Zn2—N1—C9178.7 (5)O7—Sm1—N4—O1042.8 (6)
N2—Zn2—O5—C20153.7 (7)O13—Sm1—N4—O10132.4 (6)
O2—Zn2—O5—C2036.9 (7)N5—Sm1—N4—O10157.0 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H501···O8i0.822.383.107 (11)148
O6—H601···O17ii0.821.992.654 (10)138
O17—H17A···O160.821.882.688 (13)167
Symmetry codes: (i) x+1, y+1, z; (ii) x+2, y+1/2, z+1/2.

Experimental details

Crystal data
Chemical formula[SmZn(C19H20N2O4)(NO3)3(CH4O)2]·2CH4O
Mr870.29
Crystal system, space groupMonoclinic, P21/c
Temperature (K)296
a, b, c (Å)13.1050 (8), 11.1190 (7), 22.3240 (13)
β (°) 90.999 (1)
V3)3252.4 (3)
Z4
Radiation typeMo Kα
µ (mm1)2.61
Crystal size (mm)0.32 × 0.26 × 0.24
Data collection
DiffractometerRigaku R-AXIS RAPID CCD
diffractometer
Absorption correctionMulti-scan
(ABSCOR; Higashi, 1995)
Tmin, Tmax0.489, 0.573
No. of measured, independent and
observed [I > 2σ(I)] reflections
23458, 5833, 4835
Rint0.073
(sin θ/λ)max1)0.599
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.070, 0.133, 1.46
No. of reflections5833
No. of parameters433
No. of restraints28
H-atom treatmentH-atom parameters constrained
w = 1/[σ2(Fo2) + (0.P)2 + 11.1281P]
where P = (Fo2 + 2Fc2)/3
Δρmax, Δρmin (e Å3)0.92, 1.14

Computer programs: PROCESS-AUTO (Rigaku, 2006), CrystalStructure (Rigaku, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 1997), WinGX (Farrugia, 1999).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H501···O8i0.822.383.107 (11)148
O6—H601···O17ii0.821.992.654 (10)138
O17—H17A···O160.821.882.688 (13)167
Symmetry codes: (i) x+1, y+1, z; (ii) x+2, y+1/2, z+1/2.
 

Acknowledgements

The authors gratefully acknowledge financial support from the Education Department of Liaoning Province (2009 A 265) and Liaoning University.

References

First citationFarrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  CrossRef IUCr Journals Google Scholar
First citationFarrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838.  CrossRef CAS IUCr Journals Google Scholar
First citationHigashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.  Google Scholar
First citationLiu, F. (2009). Acta Cryst. E65, m126.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationLiu, F. & Zhang, F. (2008). Acta Cryst. E64, m589.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationRigaku (2006). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.  Google Scholar
First citationRigaku (2007). CrystalStructure. Rigaku/MSC, The Woodlands Texas, USA.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationWang, J.-H., Gao, P., Yan, P.-F., Li, G.-M. & Hou, G.-F. (2008). Acta Cryst. E64, m344.  Web of Science CSD CrossRef IUCr Journals Google Scholar

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