Literature DB >> 21522856

Bis{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolato-κO,O}tris-(nitrato-κO,O')methano-lsamarium(III).

Hang-Ming Guo1.   

Abstract

The asymmetric unit of the title compound, [Sm(NO(3))(3)(C(15)H(15)NO(2))(2)(CH(3)OH)], contains two Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate (HL) ligands, three nitrate ions and one methanol mol-ecule that binds to the nine-coordinate samarium(III) ion via its O atoms. The HL ligands chelate with a strong Sm-O(deprotonated phenolic) bond and a weak Sm-O(meth-oxy) contact. The latter can be inter-preted as the apices of the bicapped square-anti-prismatic Sm(III)O(9) polyhedron. The Schiff base ligands are in a zwitterionic state with the phenolic H atom transferred to the imine N atom. O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds lend stability to the structure. One O atom of one nitrate group is equally disordered over two positions.

Entities:  

Year:  2011        PMID： 21522856      PMCID： PMC3051746          DOI： 10.1107/S1600536811000407

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For the syntheses of rare earth complexes with Schiff bases derived from o-vanillin and adamantane­amine, see: Burrows & Bailar (1966 ▶); Li et al. (2008 ▶); Xian et al. (2008 ▶); Zhao et al. (2005 ▶); Liu et al. (2009 ▶, 2010 ▶). For their applications, see: Leadbeater & Marco (2002 ▶); Quici et al. (2004 ▶).

Experimental

Crystal data

[Sm(NO3)3(C15H15NO2)2(CH4O)] M = 850.99 Triclinic, a = 7.8547 (10) Å b = 14.6893 (19) Å c = 16.590 (2) Å α = 73.402 (8)° β = 85.738 (7)° γ = 79.230 (7)° V = 1801.6 (4) Å3 Z = 2 Mo Kα radiation μ = 1.70 mm−1 T = 296 K 0.26 × 0.11 × 0.08 mm

Data collection

Bruker APEXII area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.797, T max = 0.870 25616 measured reflections 6337 independent reflections 5512 reflections with I > 2σ(I) R int = 0.043

Refinement

R[F 2 > 2σ(F 2)] = 0.043 wR(F 2) = 0.123 S = 1.05 6337 reflections 474 parameters H-atom parameters constrained Δρmax = 0.91 e Å−3 Δρmin = −0.73 e Å−3 Data collection: APEX2 (Bruker, 2006 ▶); cell refinement: SAINT (Bruker, 2006 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811000407/bv2165sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536811000407/bv2165Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Sm(NO3)3(C15H15NO2)2(CH4O)]Z = 2
Mr = 850.99F(000) = 858
Triclinic, P1Dx = 1.569 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.8547 (10) ÅCell parameters from 7607 reflections
b = 14.6893 (19) Åθ = 1.7–25.0°
c = 16.590 (2) ŵ = 1.70 mm−1
α = 73.402 (8)°T = 296 K
β = 85.738 (7)°Block, red
γ = 79.230 (7)°0.26 × 0.11 × 0.08 mm
V = 1801.6 (4) Å3
Bruker APEXII area-detector diffractometer6337 independent reflections
Radiation source: fine-focus sealed tube5512 reflections with I > 2σ(I)
graphiteRint = 0.043
φ and ω scansθmax = 25.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −9→9
Tmin = 0.797, Tmax = 0.870k = −17→16
25616 measured reflectionsl = −19→19
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.123H-atom parameters constrained
S = 1.05w = 1/[σ2(Fo2) + (0.0718P)2 + 2.0645P] where P = (Fo2 + 2Fc2)/3
6337 reflections(Δ/σ)max = 0.001
474 parametersΔρmax = 0.91 e Å−3
0 restraintsΔρmin = −0.73 e Å−3
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.
xyzUiso*/UeqOcc. (<1)
Sm−0.01017 (3)0.327313 (17)0.806379 (17)0.04596 (12)
O10.0691 (5)0.4434 (2)0.6739 (2)0.0471 (8)
O20.2571 (5)0.2701 (3)0.6999 (3)0.0583 (10)
O30.1465 (5)0.1745 (2)0.8891 (2)0.0456 (8)
O40.0886 (6)0.2926 (3)0.9826 (3)0.0608 (11)
O5−0.109 (3)0.4813 (14)0.8558 (16)0.111 (8)0.50
O5'−0.165 (3)0.4487 (11)0.8865 (11)0.073 (4)0.50
O6−0.2260 (8)0.5018 (4)0.7536 (4)0.0900 (16)
O7−0.3204 (8)0.5922 (4)0.8313 (4)0.109 (2)
O8−0.3483 (6)0.3231 (4)0.8222 (3)0.0765 (13)
O9−0.2151 (6)0.2403 (4)0.9302 (3)0.0735 (12)
O10−0.4885 (5)0.2504 (4)0.9299 (3)0.0859 (16)
O11−0.0722 (6)0.1724 (3)0.7704 (3)0.0583 (10)
O12−0.1428 (6)0.3007 (3)0.6725 (2)0.0579 (10)
O13−0.1868 (6)0.1644 (3)0.6599 (3)0.0726 (12)
O140.2519 (6)0.3925 (3)0.8307 (3)0.0835 (15)
H14B0.33110.35500.85840.125*
N1−0.0024 (5)0.6247 (3)0.5829 (3)0.0416 (9)
H1A−0.02550.58040.62670.050*
N20.2117 (6)−0.0081 (3)0.8804 (3)0.0461 (10)
H2A0.16040.04990.85770.055*
N3−0.2281 (8)0.5202 (4)0.8184 (4)0.0698 (15)
N4−0.3519 (6)0.2712 (3)0.8951 (3)0.0492 (10)
N5−0.1351 (6)0.2118 (3)0.7001 (3)0.0478 (10)
C10.1944 (6)0.5004 (4)0.5381 (3)0.0406 (11)
C20.1746 (6)0.4282 (3)0.6144 (3)0.0412 (11)
C30.2795 (7)0.3353 (4)0.6224 (4)0.0469 (12)
C40.3871 (7)0.3178 (4)0.5585 (4)0.0552 (14)
H4A0.45320.25680.56500.066*
C50.4003 (8)0.3892 (5)0.4837 (4)0.0570 (14)
H5A0.47380.37530.44060.068*
C60.3066 (7)0.4788 (4)0.4733 (3)0.0507 (13)
H6A0.31640.52640.42320.061*
C70.1065 (7)0.5962 (4)0.5278 (3)0.0437 (11)
H7A0.12760.64220.47820.052*
C80.3849 (10)0.1852 (5)0.7224 (5)0.094 (3)
H8A0.37580.14470.68710.141*
H8B0.36700.15090.78010.141*
H8C0.49810.20260.71510.141*
C9−0.0869 (7)0.7200 (4)0.5783 (3)0.0457 (12)
C10−0.1867 (9)0.7369 (4)0.6440 (4)0.0701 (18)
H10A−0.20130.68570.69060.084*
C11−0.2681 (10)0.8297 (5)0.6430 (5)0.0770 (19)
H11A−0.33700.83930.68890.092*
C12−0.2492 (9)0.9063 (4)0.5768 (5)0.0673 (18)
C13−0.1481 (13)0.8886 (5)0.5111 (5)0.090 (3)
H13A−0.13200.94040.46520.108*
C14−0.0678 (12)0.7970 (4)0.5095 (4)0.083 (2)
H14A−0.00200.78740.46270.099*
C15−0.3410 (12)1.0074 (5)0.5779 (6)0.097 (3)
H15A−0.31251.05350.52710.145*
H15B−0.30411.02300.62550.145*
H15C−0.46411.00930.58190.145*
C160.2408 (7)0.0397 (4)1.0044 (3)0.0476 (12)
C170.1778 (6)0.1389 (3)0.9681 (3)0.0394 (10)
C180.1523 (7)0.1990 (4)1.0221 (3)0.0465 (12)
C190.1914 (9)0.1636 (5)1.1055 (4)0.0627 (16)
H19A0.17520.20491.13970.075*
C200.2555 (10)0.0657 (5)1.1392 (4)0.0711 (18)
H20A0.27930.04201.19620.085*
C210.2832 (10)0.0052 (4)1.0904 (4)0.0668 (17)
H21A0.3302−0.05941.11320.080*
C220.2596 (8)−0.0269 (4)0.9567 (3)0.0538 (14)
H22A0.3112−0.09000.98250.065*
C230.0593 (17)0.3594 (6)1.0325 (7)0.144 (5)
H23A−0.02640.34131.07560.216*
H23B0.01900.42310.99740.216*
H23C0.16560.35851.05800.216*
C240.2346 (7)−0.0733 (3)0.8296 (3)0.0452 (12)
C250.1500 (8)−0.0456 (4)0.7550 (4)0.0589 (15)
H25A0.07860.01440.73850.071*
C260.1708 (9)−0.1065 (4)0.7045 (4)0.0658 (17)
H26A0.1108−0.08770.65450.079*
C270.2795 (8)−0.1956 (4)0.7264 (4)0.0582 (15)
C280.3595 (9)−0.2217 (4)0.8015 (4)0.0663 (17)
H28A0.4299−0.28190.81850.080*
C290.3398 (8)−0.1621 (4)0.8528 (4)0.0598 (15)
H29A0.3976−0.18160.90350.072*
C300.3049 (11)−0.2602 (6)0.6691 (6)0.090 (2)
H30A0.3798−0.31950.69510.136*
H30B0.3564−0.22870.61670.136*
H30C0.1948−0.27380.65890.136*
C310.3016 (13)0.4851 (7)0.7970 (8)0.128 (4)
H31A0.38920.49170.83130.192*
H31B0.20240.53460.79650.192*
H31C0.34640.49120.74070.192*
U11U22U33U12U13U23
Sm0.04454 (18)0.03294 (16)0.05411 (19)−0.00013 (11)−0.00159 (12)−0.00623 (12)
O10.047 (2)0.0330 (17)0.053 (2)−0.0016 (15)0.0119 (16)−0.0051 (15)
O20.049 (2)0.0330 (18)0.078 (3)0.0069 (16)0.0148 (19)−0.0046 (18)
O30.050 (2)0.0344 (17)0.046 (2)0.0045 (15)−0.0124 (16)−0.0070 (15)
O40.077 (3)0.039 (2)0.070 (3)0.0017 (18)−0.020 (2)−0.0224 (19)
O50.097 (15)0.072 (13)0.18 (2)0.028 (9)−0.043 (14)−0.074 (14)
O5'0.090 (12)0.049 (8)0.084 (9)0.020 (6)−0.034 (8)−0.036 (7)
O60.108 (4)0.063 (3)0.083 (4)0.012 (3)0.012 (3)−0.015 (3)
O70.116 (5)0.069 (3)0.133 (5)0.048 (3)−0.016 (4)−0.049 (3)
O80.056 (3)0.086 (3)0.071 (3)−0.006 (2)−0.004 (2)−0.001 (3)
O90.059 (3)0.080 (3)0.068 (3)−0.016 (2)−0.002 (2)0.004 (2)
O100.041 (2)0.099 (4)0.090 (3)−0.014 (2)0.003 (2)0.017 (3)
O110.072 (3)0.0380 (19)0.062 (2)0.0004 (18)−0.021 (2)−0.0105 (18)
O120.075 (3)0.047 (2)0.044 (2)−0.0038 (19)−0.0061 (18)−0.0042 (17)
O130.076 (3)0.084 (3)0.072 (3)−0.017 (2)−0.008 (2)−0.039 (3)
O140.060 (3)0.064 (3)0.113 (4)−0.023 (2)−0.036 (3)0.014 (3)
N10.049 (2)0.032 (2)0.043 (2)−0.0102 (18)−0.0021 (18)−0.0069 (17)
N20.055 (3)0.029 (2)0.047 (2)0.0057 (18)−0.001 (2)−0.0069 (18)
N30.068 (4)0.043 (3)0.093 (4)0.012 (3)−0.006 (3)−0.023 (3)
N40.042 (3)0.043 (2)0.050 (3)−0.0067 (19)−0.002 (2)0.007 (2)
N50.042 (2)0.054 (3)0.049 (3)−0.004 (2)0.0041 (19)−0.019 (2)
C10.037 (3)0.045 (3)0.045 (3)−0.014 (2)−0.003 (2)−0.015 (2)
C20.036 (3)0.040 (3)0.051 (3)−0.011 (2)0.003 (2)−0.017 (2)
C30.038 (3)0.038 (3)0.064 (3)−0.007 (2)0.006 (2)−0.016 (2)
C40.047 (3)0.051 (3)0.073 (4)−0.004 (2)0.006 (3)−0.031 (3)
C50.055 (3)0.068 (4)0.058 (3)−0.015 (3)0.014 (3)−0.035 (3)
C60.053 (3)0.062 (3)0.042 (3)−0.019 (3)0.005 (2)−0.019 (3)
C70.049 (3)0.042 (3)0.040 (3)−0.015 (2)−0.007 (2)−0.006 (2)
C80.077 (5)0.060 (4)0.106 (6)0.029 (4)0.025 (4)0.005 (4)
C90.048 (3)0.039 (3)0.053 (3)−0.011 (2)−0.008 (2)−0.014 (2)
C100.086 (5)0.043 (3)0.076 (4)−0.015 (3)0.022 (4)−0.011 (3)
C110.080 (5)0.059 (4)0.095 (5)−0.005 (3)0.015 (4)−0.035 (4)
C120.079 (4)0.039 (3)0.088 (5)−0.005 (3)−0.024 (4)−0.022 (3)
C130.152 (8)0.041 (3)0.065 (4)−0.001 (4)0.005 (5)−0.005 (3)
C140.137 (7)0.046 (3)0.051 (4)0.002 (4)0.013 (4)−0.007 (3)
C150.123 (7)0.051 (4)0.121 (7)0.005 (4)−0.024 (6)−0.040 (4)
C160.054 (3)0.037 (3)0.043 (3)−0.002 (2)0.000 (2)−0.003 (2)
C170.035 (3)0.037 (2)0.043 (3)−0.002 (2)−0.002 (2)−0.009 (2)
C180.043 (3)0.040 (3)0.056 (3)−0.005 (2)−0.005 (2)−0.013 (2)
C190.077 (4)0.063 (4)0.052 (3)−0.010 (3)−0.001 (3)−0.023 (3)
C200.104 (5)0.061 (4)0.040 (3)−0.009 (4)−0.006 (3)−0.005 (3)
C210.098 (5)0.046 (3)0.043 (3)−0.001 (3)−0.004 (3)0.001 (3)
C220.069 (4)0.032 (3)0.051 (3)0.004 (2)0.004 (3)−0.006 (2)
C230.230 (13)0.064 (5)0.150 (9)0.048 (6)−0.099 (9)−0.072 (6)
C240.047 (3)0.032 (2)0.054 (3)0.002 (2)0.000 (2)−0.013 (2)
C250.072 (4)0.036 (3)0.063 (4)0.011 (3)−0.011 (3)−0.015 (3)
C260.078 (4)0.054 (3)0.065 (4)−0.002 (3)−0.019 (3)−0.016 (3)
C270.056 (3)0.049 (3)0.074 (4)−0.001 (3)−0.001 (3)−0.029 (3)
C280.072 (4)0.041 (3)0.081 (4)0.018 (3)−0.013 (3)−0.024 (3)
C290.063 (4)0.048 (3)0.061 (3)0.013 (3)−0.010 (3)−0.014 (3)
C300.092 (6)0.074 (5)0.122 (7)0.004 (4)−0.012 (5)−0.062 (5)
C310.106 (7)0.085 (6)0.190 (11)−0.044 (5)−0.050 (7)−0.006 (7)
Sm—O32.428 (3)C8—H8B0.9600
Sm—O12.486 (3)C8—H8C0.9600
Sm—O142.529 (4)C9—C101.349 (8)
Sm—O52.59 (2)C9—C141.380 (8)
Sm—O5'2.594 (19)C10—C111.389 (9)
Sm—O112.648 (4)C10—H10A0.9300
Sm—O82.660 (4)C11—C121.352 (10)
Sm—O122.676 (4)C11—H11A0.9300
Sm—O92.688 (4)C12—C131.357 (11)
Sm—O62.743 (5)C12—C151.530 (9)
Sm—O22.806 (4)C13—C141.382 (9)
Sm—O42.957 (4)C13—H13A0.9300
O1—C21.283 (6)C14—H14A0.9300
O2—C31.387 (7)C15—H15A0.9600
O2—C81.423 (7)C15—H15B0.9600
O3—C171.288 (6)C15—H15C0.9600
O4—C181.359 (6)C16—C221.407 (7)
O4—C231.434 (8)C16—C211.413 (8)
O5—N31.12 (2)C16—C171.416 (7)
O5'—N31.354 (19)C17—C181.407 (7)
O6—N31.179 (7)C18—C191.368 (8)
O7—N31.229 (7)C19—C201.396 (9)
O8—N41.234 (6)C19—H19A0.9300
O9—N41.208 (6)C20—C211.344 (9)
O10—N41.227 (6)C20—H20A0.9300
O11—N51.238 (6)C21—H21A0.9300
O12—N51.246 (6)C22—H22A0.9300
O13—N51.227 (6)C23—H23A0.9600
O14—C311.431 (9)C23—H23B0.9600
O14—H14B0.8200C23—H23C0.9600
N1—C71.307 (7)C24—C251.368 (8)
N1—C91.417 (6)C24—C291.375 (7)
N1—H1A0.8601C25—C261.371 (8)
N2—C221.285 (7)C25—H25A0.9300
N2—C241.427 (6)C26—C271.390 (8)
N2—H2A0.8601C26—H26A0.9300
C1—C61.407 (7)C27—C281.360 (9)
C1—C71.415 (7)C27—C301.503 (8)
C1—C21.421 (7)C28—C291.367 (8)
C2—C31.431 (7)C28—H28A0.9300
C3—C41.359 (8)C29—H29A0.9300
C4—C51.389 (9)C30—H30A0.9600
C4—H4A0.9300C30—H30B0.9600
C5—C61.354 (8)C30—H30C0.9600
C5—H5A0.9300C31—H31A0.9600
C6—H6A0.9300C31—H31B0.9600
C7—H7A0.9300C31—H31C0.9600
C8—H8A0.9600
O3—Sm—O1131.61 (12)O1—C2—C1122.9 (4)
O3—Sm—O1483.87 (13)O1—C2—C3120.6 (5)
O1—Sm—O1470.74 (14)C1—C2—C3116.5 (5)
O3—Sm—O5126.1 (6)C4—C3—O2126.3 (5)
O1—Sm—O583.5 (5)C4—C3—C2120.8 (5)
O14—Sm—O570.3 (5)O2—C3—C2112.8 (4)
O3—Sm—O5'117.5 (4)C3—C4—C5121.4 (5)
O1—Sm—O5'99.2 (3)C3—C4—H4A119.3
O14—Sm—O5'81.8 (4)C5—C4—H4A119.3
O5—Sm—O5'17.0 (6)C6—C5—C4120.2 (5)
O3—Sm—O1164.60 (11)C6—C5—H5A119.9
O1—Sm—O11108.63 (12)C4—C5—H5A119.9
O14—Sm—O11137.26 (15)C5—C6—C1120.3 (5)
O5—Sm—O11151.9 (5)C5—C6—H6A119.8
O5'—Sm—O11137.5 (4)C1—C6—H6A119.8
O3—Sm—O8109.06 (14)N1—C7—C1124.8 (5)
O1—Sm—O8112.92 (13)N1—C7—H7A117.6
O14—Sm—O8151.18 (19)C1—C7—H7A117.6
O5—Sm—O881.5 (5)O2—C8—H8A109.5
O5'—Sm—O869.4 (4)O2—C8—H8B109.5
O11—Sm—O870.40 (15)H8A—C8—H8B109.5
O3—Sm—O12109.27 (11)O2—C8—H8C109.5
O1—Sm—O1268.65 (12)H8A—C8—H8C109.5
O14—Sm—O12134.84 (16)H8B—C8—H8C109.5
O5—Sm—O12122.6 (6)C10—C9—C14118.6 (5)
O5'—Sm—O12123.4 (4)C10—C9—N1119.1 (5)
O11—Sm—O1246.92 (11)C14—C9—N1122.3 (5)
O8—Sm—O1266.47 (14)C9—C10—C11121.0 (6)
O3—Sm—O969.41 (13)C9—C10—H10A119.5
O1—Sm—O9158.08 (13)C11—C10—H10A119.5
O14—Sm—O9124.08 (16)C12—C11—C10121.4 (7)
O5—Sm—O987.0 (5)C12—C11—H11A119.3
O5'—Sm—O970.0 (4)C10—C11—H11A119.3
O11—Sm—O972.44 (15)C11—C12—C13117.2 (6)
O8—Sm—O945.88 (14)C11—C12—C15119.9 (7)
O12—Sm—O9100.68 (14)C13—C12—C15122.9 (7)
O3—Sm—O6164.80 (15)C12—C13—C14122.9 (7)
O1—Sm—O662.02 (14)C12—C13—H13A118.6
O14—Sm—O696.90 (17)C14—C13—H13A118.6
O5—Sm—O641.8 (6)C9—C14—C13119.0 (7)
O5'—Sm—O648.0 (4)C9—C14—H14A120.5
O11—Sm—O6121.16 (16)C13—C14—H14A120.5
O8—Sm—O663.90 (17)C12—C15—H15A109.5
O12—Sm—O680.97 (16)C12—C15—H15B109.5
O9—Sm—O698.12 (16)H15A—C15—H15B109.5
O3—Sm—O274.45 (12)C12—C15—H15C109.5
O1—Sm—O259.20 (10)H15A—C15—H15C109.5
O14—Sm—O273.05 (17)H15B—C15—H15C109.5
O5—Sm—O2134.4 (5)C22—C16—C21118.4 (5)
O5'—Sm—O2151.0 (4)C22—C16—C17121.2 (5)
O11—Sm—O271.23 (13)C21—C16—C17120.4 (5)
O8—Sm—O2134.55 (14)O3—C17—C18120.4 (4)
O12—Sm—O269.76 (13)O3—C17—C16122.5 (4)
O9—Sm—O2136.84 (13)C18—C17—C16117.1 (4)
O6—Sm—O2120.37 (14)O4—C18—C19125.2 (5)
O3—Sm—O456.71 (10)O4—C18—C17113.3 (4)
O1—Sm—O4131.51 (12)C19—C18—C17121.5 (5)
O14—Sm—O462.62 (15)C18—C19—C20120.1 (5)
O5—Sm—O469.4 (6)C18—C19—H19A119.9
O5'—Sm—O462.8 (4)C20—C19—H19A119.9
O11—Sm—O4114.13 (11)C21—C20—C19120.9 (6)
O8—Sm—O4102.27 (13)C21—C20—H20A119.6
O12—Sm—O4159.57 (12)C19—C20—H20A119.6
O9—Sm—O461.61 (13)C20—C21—C16120.0 (5)
O6—Sm—O4110.19 (15)C20—C21—H21A120.0
O2—Sm—O4115.10 (12)C16—C21—H21A120.0
C2—O1—Sm129.3 (3)N2—C22—C16125.5 (5)
C3—O2—C8116.8 (5)N2—C22—H22A117.2
C3—O2—Sm117.3 (3)C16—C22—H22A117.2
C8—O2—Sm125.4 (4)O4—C23—H23A109.5
C17—O3—Sm133.4 (3)O4—C23—H23B109.5
C18—O4—C23117.3 (5)H23A—C23—H23B109.5
C18—O4—Sm114.4 (3)O4—C23—H23C109.5
C23—O4—Sm127.9 (4)H23A—C23—H23C109.5
N3—O5—Sm104.8 (14)H23B—C23—H23C109.5
N3—O5'—Sm97.3 (9)C25—C24—C29119.3 (5)
N3—O6—Sm94.8 (4)C25—C24—N2118.5 (4)
N4—O8—Sm98.8 (3)C29—C24—N2122.1 (5)
N4—O9—Sm98.1 (3)C24—C25—C26119.8 (5)
N5—O11—Sm98.8 (3)C24—C25—H25A120.1
N5—O12—Sm97.1 (3)C26—C25—H25A120.1
C31—O14—Sm131.7 (5)C25—C26—C27121.5 (6)
C31—O14—H14B109.5C25—C26—H26A119.2
Sm—O14—H14B118.5C27—C26—H26A119.2
C7—N1—C9127.4 (4)C28—C27—C26117.3 (5)
C7—N1—H1A116.2C28—C27—C30121.9 (6)
C9—N1—H1A116.4C26—C27—C30120.8 (6)
C22—N2—C24126.7 (4)C27—C28—C29122.0 (5)
C22—N2—H2A116.5C27—C28—H28A119.0
C24—N2—H2A116.8C29—C28—H28A119.0
O5—N3—O6111.8 (13)C28—C29—C24120.1 (5)
O5—N3—O7123.0 (13)C28—C29—H29A120.0
O6—N3—O7122.2 (7)C24—C29—H29A120.0
O5—N3—O5'34.4 (13)C27—C30—H30A109.5
O6—N3—O5'118.1 (9)C27—C30—H30B109.5
O7—N3—O5'117.3 (10)H30A—C30—H30B109.5
O9—N4—O10121.5 (5)C27—C30—H30C109.5
O9—N4—O8117.2 (5)H30A—C30—H30C109.5
O10—N4—O8121.3 (5)H30B—C30—H30C109.5
O13—N5—O11120.7 (5)O14—C31—H31A109.5
O13—N5—O12122.1 (5)O14—C31—H31B109.5
O11—N5—O12117.2 (4)H31A—C31—H31B109.5
C6—C1—C7119.2 (5)O14—C31—H31C109.5
C6—C1—C2120.7 (5)H31A—C31—H31C109.5
C7—C1—C2120.1 (5)H31B—C31—H31C109.5
O3—Sm—O1—C226.1 (5)O3—Sm—O11—N5−161.7 (4)
O14—Sm—O1—C288.6 (4)O1—Sm—O11—N5−33.7 (3)
O5—Sm—O1—C2160.0 (7)O14—Sm—O11—N5−115.1 (3)
O5'—Sm—O1—C2166.5 (6)O5—Sm—O11—N578.5 (13)
O11—Sm—O1—C2−46.1 (4)O5'—Sm—O11—N594.5 (6)
O8—Sm—O1—C2−122.1 (4)O8—Sm—O11—N574.8 (3)
O12—Sm—O1—C2−71.2 (4)O12—Sm—O11—N5−0.9 (3)
O9—Sm—O1—C2−135.2 (4)O9—Sm—O11—N5123.3 (3)
O6—Sm—O1—C2−162.1 (5)O6—Sm—O11—N534.3 (4)
O2—Sm—O1—C27.3 (4)O2—Sm—O11—N5−80.4 (3)
O4—Sm—O1—C2104.9 (4)O4—Sm—O11—N5169.8 (3)
O3—Sm—O2—C3−173.2 (4)O3—Sm—O12—N519.3 (3)
O1—Sm—O2—C3−7.7 (3)O1—Sm—O12—N5147.5 (3)
O14—Sm—O2—C3−85.0 (4)O14—Sm—O12—N5120.1 (3)
O5—Sm—O2—C3−47.4 (9)O5—Sm—O12—N5−145.7 (6)
O5'—Sm—O2—C3−54.0 (9)O5'—Sm—O12—N5−125.5 (5)
O11—Sm—O2—C3118.9 (4)O11—Sm—O12—N50.9 (3)
O8—Sm—O2—C385.2 (4)O8—Sm—O12—N5−83.7 (3)
O12—Sm—O2—C368.9 (3)O9—Sm—O12—N5−52.5 (3)
O9—Sm—O2—C3152.9 (3)O6—Sm—O12—N5−149.1 (3)
O6—Sm—O2—C33.1 (4)O2—Sm—O12—N583.7 (3)
O4—Sm—O2—C3−132.6 (3)O4—Sm—O12—N5−24.1 (5)
O3—Sm—O2—C8−1.5 (5)O3—Sm—O14—C31172.3 (9)
O1—Sm—O2—C8164.1 (6)O1—Sm—O14—C3134.1 (9)
O14—Sm—O2—C886.8 (6)O5—Sm—O14—C31−55.8 (10)
O5—Sm—O2—C8124.3 (10)O5'—Sm—O14—C31−68.7 (9)
O5'—Sm—O2—C8117.7 (10)O11—Sm—O14—C31131.0 (8)
O11—Sm—O2—C8−69.4 (6)O8—Sm—O14—C31−68.6 (10)
O8—Sm—O2—C8−103.1 (6)O12—Sm—O14—C3161.1 (9)
O12—Sm—O2—C8−119.3 (6)O9—Sm—O14—C31−127.7 (9)
O9—Sm—O2—C8−35.3 (6)O6—Sm—O14—C31−23.0 (9)
O6—Sm—O2—C8174.9 (6)O2—Sm—O14—C3196.7 (9)
O4—Sm—O2—C839.1 (6)O4—Sm—O14—C31−132.2 (9)
O1—Sm—O3—C17131.5 (4)Sm—O5—N3—O6−26.8 (14)
O14—Sm—O3—C1774.1 (4)Sm—O5—N3—O7172.7 (6)
O5—Sm—O3—C1714.0 (8)Sm—O5—N3—O5'81 (3)
O5'—Sm—O3—C17−3.3 (6)Sm—O6—N3—O524.4 (12)
O11—Sm—O3—C17−135.6 (5)Sm—O6—N3—O7−174.9 (7)
O8—Sm—O3—C17−79.4 (4)Sm—O6—N3—O5'−13.0 (11)
O12—Sm—O3—C17−150.3 (4)Sm—O5'—N3—O5−74 (3)
O9—Sm—O3—C17−55.8 (4)Sm—O5'—N3—O613.9 (11)
O6—Sm—O3—C17−19.7 (8)Sm—O5'—N3—O7176.6 (6)
O2—Sm—O3—C17148.2 (4)Sm—O9—N4—O10−179.1 (5)
O4—Sm—O3—C1713.0 (4)Sm—O9—N4—O82.1 (6)
O3—Sm—O4—C18−9.3 (3)Sm—O8—N4—O9−2.1 (6)
O1—Sm—O4—C18−128.0 (3)Sm—O8—N4—O10179.1 (5)
O14—Sm—O4—C18−110.6 (4)Sm—O11—N5—O13−178.6 (4)
O5—Sm—O4—C18171.6 (6)Sm—O11—N5—O121.6 (5)
O5'—Sm—O4—C18154.5 (6)Sm—O12—N5—O13178.6 (4)
O11—Sm—O4—C1821.8 (4)Sm—O12—N5—O11−1.6 (5)
O8—Sm—O4—C1895.6 (4)Sm—O1—C2—C1173.7 (3)
O12—Sm—O4—C1841.5 (6)Sm—O1—C2—C3−6.3 (7)
O9—Sm—O4—C1873.6 (4)C6—C1—C2—O1−177.3 (5)
O6—Sm—O4—C18162.0 (4)C7—C1—C2—O15.3 (7)
O2—Sm—O4—C18−57.9 (4)C6—C1—C2—C32.7 (7)
O3—Sm—O4—C23178.3 (8)C7—C1—C2—C3−174.8 (4)
O1—Sm—O4—C2359.7 (8)C8—O2—C3—C415.5 (9)
O14—Sm—O4—C2377.0 (8)Sm—O2—C3—C4−172.0 (4)
O5—Sm—O4—C23−0.8 (9)C8—O2—C3—C2−164.4 (6)
O5'—Sm—O4—C23−17.9 (9)Sm—O2—C3—C28.1 (5)
O11—Sm—O4—C23−150.6 (8)O1—C2—C3—C4177.7 (5)
O8—Sm—O4—C23−76.8 (8)C1—C2—C3—C4−2.2 (7)
O12—Sm—O4—C23−130.8 (8)O1—C2—C3—O2−2.4 (7)
O9—Sm—O4—C23−98.7 (8)C1—C2—C3—O2177.7 (4)
O6—Sm—O4—C23−10.3 (8)O2—C3—C4—C5−179.4 (5)
O2—Sm—O4—C23129.8 (8)C2—C3—C4—C50.6 (8)
O3—Sm—O5—N3−151.7 (11)C3—C4—C5—C60.7 (9)
O1—Sm—O5—N370.1 (14)C4—C5—C6—C1−0.3 (8)
O14—Sm—O5—N3142.0 (15)C7—C1—C6—C5176.0 (5)
O5'—Sm—O5—N3−87 (3)C2—C1—C6—C5−1.5 (7)
O11—Sm—O5—N3−48 (2)C9—N1—C7—C1176.3 (4)
O8—Sm—O5—N3−44.3 (13)C6—C1—C7—N1179.1 (5)
O12—Sm—O5—N310.7 (17)C2—C1—C7—N1−3.5 (7)
O9—Sm—O5—N3−90.1 (14)C7—N1—C9—C10−175.6 (5)
O6—Sm—O5—N315.7 (9)C7—N1—C9—C143.0 (8)
O2—Sm—O5—N3103.7 (13)C14—C9—C10—C11−0.4 (10)
O4—Sm—O5—N3−150.8 (15)N1—C9—C10—C11178.3 (6)
O3—Sm—O5'—N3178.7 (7)C9—C10—C11—C12−0.5 (11)
O1—Sm—O5'—N331.2 (9)C10—C11—C12—C130.3 (11)
O14—Sm—O5'—N3100.1 (9)C10—C11—C12—C15179.9 (7)
O5—Sm—O5'—N354 (3)C11—C12—C13—C140.9 (13)
O11—Sm—O5'—N3−99.8 (8)C15—C12—C13—C14−178.8 (8)
O8—Sm—O5'—N3−79.9 (9)C10—C9—C14—C131.5 (11)
O12—Sm—O5'—N3−39.2 (10)N1—C9—C14—C13−177.1 (7)
O9—Sm—O5'—N3−129.0 (10)C12—C13—C14—C9−1.8 (13)
O6—Sm—O5'—N3−7.0 (6)Sm—O3—C17—C18−15.1 (7)
O2—Sm—O5'—N370.2 (14)Sm—O3—C17—C16165.9 (4)
O4—Sm—O5'—N3163.4 (10)C22—C16—C17—O3−5.2 (8)
O3—Sm—O6—N327.7 (9)C21—C16—C17—O3176.1 (5)
O1—Sm—O6—N3−128.2 (5)C22—C16—C17—C18175.8 (5)
O14—Sm—O6—N3−64.3 (5)C21—C16—C17—C18−2.9 (8)
O5—Sm—O6—N3−14.5 (8)C23—O4—C18—C19−0.3 (10)
O5'—Sm—O6—N38.0 (6)Sm—O4—C18—C19−173.5 (5)
O11—Sm—O6—N3136.0 (4)C23—O4—C18—C17−179.7 (7)
O8—Sm—O6—N393.1 (5)Sm—O4—C18—C177.1 (5)
O12—Sm—O6—N3161.3 (5)O3—C17—C18—O42.1 (7)
O9—Sm—O6—N361.7 (5)C16—C17—C18—O4−178.8 (5)
O2—Sm—O6—N3−138.7 (4)O3—C17—C18—C19−177.3 (5)
O4—Sm—O6—N3−1.0 (5)C16—C17—C18—C191.8 (8)
O3—Sm—O8—N432.6 (4)O4—C18—C19—C20179.7 (6)
O1—Sm—O8—N4−172.0 (3)C17—C18—C19—C20−1.0 (10)
O14—Sm—O8—N4−80.6 (5)C18—C19—C20—C211.4 (11)
O5—Sm—O8—N4−92.8 (7)C19—C20—C21—C16−2.5 (11)
O5'—Sm—O8—N4−80.5 (5)C22—C16—C21—C20−175.4 (7)
O11—Sm—O8—N485.4 (4)C17—C16—C21—C203.3 (10)
O12—Sm—O8—N4135.9 (4)C24—N2—C22—C16177.6 (5)
O9—Sm—O8—N41.2 (3)C21—C16—C22—N2173.2 (6)
O6—Sm—O8—N4−132.8 (4)C17—C16—C22—N2−5.5 (9)
O2—Sm—O8—N4119.3 (3)C22—N2—C24—C25169.1 (6)
O4—Sm—O8—N4−26.1 (4)C22—N2—C24—C29−11.6 (9)
O3—Sm—O9—N4−149.4 (4)C29—C24—C25—C260.1 (10)
O1—Sm—O9—N415.7 (6)N2—C24—C25—C26179.4 (6)
O14—Sm—O9—N4143.6 (3)C24—C25—C26—C27−1.4 (11)
O5—Sm—O9—N480.0 (7)C25—C26—C27—C282.4 (10)
O5'—Sm—O9—N479.1 (6)C25—C26—C27—C30−178.2 (7)
O11—Sm—O9—N4−80.7 (4)C26—C27—C28—C29−2.1 (11)
O8—Sm—O9—N4−1.2 (3)C30—C27—C28—C29178.5 (7)
O12—Sm—O9—N4−42.7 (4)C27—C28—C29—C240.9 (11)
O6—Sm—O9—N439.6 (4)C25—C24—C29—C280.2 (10)
O2—Sm—O9—N4−114.4 (4)N2—C24—C29—C28−179.1 (6)
O4—Sm—O9—N4148.2 (4)
D—H···AD—HH···AD···AD—H···A
O14—H14B···O10i0.822.042.859 (6)174
O14—H14B···O8i0.822.533.121 (6)130
O14—H14B···N4i0.822.603.367 (6)157
N1—H1A···O10.861.962.637 (5)135
N1—H1A···O60.862.653.449 (7)154
N2—H2A···O30.862.022.678 (5)132
N2—H2A···O110.862.523.311 (5)153
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
O14—H14B⋯O10i0.822.042.859 (6)174
O14—H14B⋯O8i0.822.533.121 (6)130
O14—H14B⋯N4i0.822.603.367 (6)157
N1—H1A⋯O10.861.962.637 (5)135
N1—H1A⋯O60.862.653.449 (7)154
N2—H2A⋯O30.862.022.678 (5)132
N2—H2A⋯O110.862.523.311 (5)153

Symmetry code: (i) .

  7 in total

1.  Preparation of polymer-supported ligands and metal complexes for use in catalysis.

Authors:  Nicholas E Leadbeater; Maria Marco
Journal:  Chem Rev       Date:  2002-10       Impact factor: 60.622

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  catena-Poly[[di-μ-chlorido-bis-{[6-methoxy-2-(4-methyl-phenyl-iminio-methyl)phenolato-κO,O']cadmium(II)}]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Authors:  Hua-Qiong Li; Hui-Duo Xian; Jian-Feng Liu; Guo-Liang Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-11-22

4.  Bis[6-meth-oxy-2-[(4-methyl-phen-yl)iminiometh-yl]phenolate-κO]tris-(nitrato-κO,O')ytterbium(III) monohydrate.

Authors:  Jian-Feng Liu; Jia-Lu Liu; Guo-Liang Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-10-17

5.  (Methanol-κO)bis-{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolato-κO,O'}tris-(nitrato-κO,O')lanthanum(III).

Authors:  Jia-Lu Liu; Hai-Ting Cai; Guo-Liang Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-09-30

6.  New lanthanide complexes for sensitized visible and near-IR light emission: synthesis, 1H NMR, and X-ray structural investigation and photophysical properties.

Authors:  Silvio Quici; Giovanni Marzanni; Alessandra Forni; Gianluca Accorsi; Francesco Barigelletti
Journal:  Inorg Chem       Date:  2004-02-23       Impact factor: 5.165

7.  Bis{(E)-2-meth-oxy-6-[(4-methyl-phen-yl)-imino-meth-yl]phenolato}zinc(II).

Authors:  Hui-Duo Xian; Jian-Feng Liu; Hua-Qiong Li; Guo-Liang Zhao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-10-18
  7 in total

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