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Centrosymmeric bis­[3-(4-methyl­coumarinyl-7-oxy)-μ-meth­oxy-1,1,3,3-tetra­methyl­distannoxane], [μ-OCH3-(CH3)2(C10H7O3)Sn-O-Sn(CH3)2]2, possesses a central rhombic Sn′2O′2 core, which is flanked on opposite sides by the Sn′O′Sn′′O′′ unit (where O′ is the distannoxanyl O atom and O′′ is the methoxyl O atom). The two Sn atoms are both five-coordinate, in a cis-C2SnO3 trigonal bipyramidal geometry [C—Sn—C 130.6 (4) and 133.3 (4)°].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803019858/bt6347sup1.cif
Contains datablocks I, p18

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803019858/bt6347Isup2.hkl
Contains datablock I

CCDC reference: 225668

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.037
  • wR factor = 0.078
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O1 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... Sn1 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... Sn2 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: XSCANS (Bruker, 1997); cell refinement: LEAST SQUARES in XSCANS; data reduction: REDUCE in XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Bis[3-(4-methylcoumarinyl-7-oxy)-µ-methoxy-1,1,3,3-tetramethyldistannoxane] top
Crystal data top
[Sn4(C10H7O3)2(CH3O)2(CH3)8O2]Z = 1
Mr = 1039.41F(000) = 504
Triclinic, P1Dx = 1.848 Mg m3
a = 8.811 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 9.717 (3) ÅCell parameters from 22 reflections
c = 12.724 (4) Åθ = 3.0–9.9°
α = 104.87 (4)°µ = 2.69 mm1
β = 93.42 (4)°T = 298 K
γ = 115.266 (7)°Plate, colorless
V = 934.2 (5) Å30.20 × 0.20 × 0.04 mm
Data collection top
Siemens P4 four-circle
diffractometer
2285 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.032
Graphite monochromatorθmax = 25.0°, θmin = 2.4°
ω–2θ scanh = 110
Absorption correction: psi scan
(North et al., 1968)
k = 1110
Tmin = 0.642, Tmax = 0.898l = 1515
3983 measured reflections3 standard reflections every 97 reflections
3287 independent reflections intensity decay: 8.7%
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)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.078H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0271P)2]
where P = (Fo2 + 2Fc2)/3
3287 reflections(Δ/σ)max = 0.001
205 parametersΔρmax = 0.54 e Å3
0 restraintsΔρmin = 0.54 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.49536 (6)0.79255 (5)0.68476 (4)0.0367 (2)
Sn20.67599 (6)0.64635 (5)0.48645 (4)0.0346 (2)
O10.2679 (7)0.6137 (6)0.7046 (5)0.055 (2)
O20.2214 (7)0.3198 (6)0.8257 (5)0.052 (1)
O30.4477 (9)0.1653 (8)0.8785 (7)0.080 (2)
O40.4807 (6)0.6010 (5)0.5700 (4)0.040 (1)
O50.7162 (7)0.8715 (6)0.5999 (5)0.052 (2)
C10.387 (1)0.915 (1)0.6212 (8)0.061 (2)
C20.651 (1)0.848 (1)0.8371 (9)0.077 (3)
C30.626 (2)0.693 (1)0.3388 (7)0.069 (3)
C40.893 (1)0.648 (1)0.5605 (9)0.071 (3)
C50.1626 (9)0.6148 (9)0.7711 (6)0.040 (2)
C60.177 (1)0.7557 (9)0.8502 (6)0.046 (2)
C70.065 (1)0.7488 (9)0.9180 (7)0.046 (2)
C80.0735 (9)0.6060 (9)0.9139 (6)0.041 (2)
C90.195 (1)0.590 (1)0.9858 (7)0.049 (2)
C100.319 (1)0.442 (1)0.9748 (7)0.056 (2)
C110.338 (1)0.301 (1)0.8956 (9)0.060 (2)
C120.0895 (9)0.4674 (9)0.8355 (6)0.043 (2)
C130.023 (1)0.4724 (9)0.7658 (7)0.042 (2)
C140.182 (1)0.732 (1)1.0713 (8)0.070 (3)
C150.855 (1)1.020 (1)0.625 (1)0.090 (4)
H1a0.47541.00430.60610.091*
H1b0.32990.95340.67440.091*
H1c0.30610.84420.55390.091*
H2a0.70550.77970.82900.115*
H2b0.58200.83140.89260.115*
H2c0.73680.95780.85920.115*
H3a0.50640.66450.32140.104*
H3b0.65500.63130.27950.104*
H3c0.69270.80510.34840.104*
H4a0.88520.64610.63510.106*
H4b0.99270.74270.56140.106*
H4c0.90290.55490.51920.106*
Ha0.26700.85450.85520.055*
H70.07980.84330.96950.056*
H100.39760.43281.02170.068*
H130.00590.37790.71350.051*
H14a0.27730.70081.10850.105*
H14b0.18400.80871.03660.105*
H14c0.07740.77991.12410.105*
H15a0.95411.00730.60800.136*
H15b0.87521.07620.70240.136*
H15c0.83311.07950.58190.136*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0402 (3)0.0292 (3)0.0383 (3)0.0150 (2)0.0119 (3)0.0072 (2)
Sn20.0304 (3)0.0279 (3)0.0418 (3)0.0093 (2)0.0132 (2)0.0110 (2)
O10.055 (3)0.035 (3)0.064 (4)0.012 (2)0.034 (3)0.010 (3)
O20.045 (3)0.046 (3)0.053 (3)0.009 (2)0.018 (3)0.014 (3)
O30.065 (4)0.067 (4)0.094 (5)0.010 (4)0.030 (4)0.038 (4)
O40.036 (3)0.027 (2)0.050 (3)0.008 (2)0.023 (2)0.007 (2)
O50.045 (3)0.025 (2)0.062 (4)0.001 (2)0.025 (3)0.000 (2)
C10.065 (5)0.058 (5)0.081 (7)0.041 (5)0.021 (5)0.030 (5)
C20.076 (7)0.075 (6)0.064 (6)0.025 (5)0.007 (5)0.019 (5)
C30.119 (9)0.064 (5)0.045 (5)0.054 (6)0.024 (5)0.027 (4)
C40.043 (5)0.067 (6)0.096 (8)0.028 (4)0.004 (5)0.012 (5)
C50.040 (4)0.047 (4)0.034 (4)0.019 (3)0.012 (3)0.013 (3)
C60.041 (4)0.038 (4)0.042 (4)0.008 (3)0.006 (3)0.005 (3)
C70.049 (4)0.044 (4)0.043 (4)0.021 (4)0.012 (4)0.009 (3)
C80.042 (4)0.050 (4)0.035 (4)0.023 (3)0.012 (3)0.017 (3)
C90.046 (4)0.068 (5)0.037 (4)0.026 (4)0.009 (4)0.020 (4)
C100.050 (5)0.087 (6)0.043 (5)0.037 (5)0.018 (4)0.026 (4)
C110.043 (5)0.076 (6)0.069 (6)0.026 (5)0.022 (5)0.035 (5)
C120.036 (4)0.047 (4)0.041 (4)0.012 (3)0.004 (3)0.019 (3)
C130.043 (4)0.036 (4)0.047 (5)0.018 (3)0.016 (4)0.011 (3)
C140.075 (7)0.094 (7)0.048 (5)0.045 (6)0.028 (5)0.019 (5)
C150.066 (6)0.042 (5)0.102 (9)0.009 (5)0.031 (6)0.016 (5)
Geometric parameters (Å, º) top
Sn1—C12.087 (8)C12—C131.36 (1)
Sn1—C22.11 (1)C1—H1a0.96
Sn1—O12.101 (5)C1—H1b0.96
Sn1—O41.998 (5)C1—H1c0.96
Sn1—O52.223 (5)C2—H2a0.96
Sn2—C32.108 (8)C2—H2b0.96
Sn2—C42.077 (9)C2—H2c0.96
Sn2—O42.024 (5)C3—H3a0.96
Sn2—O4i2.088 (4)C3—H3b0.96
Sn2—O52.157 (5)C3—H3c0.96
O1—C51.294 (9)C4—H4a0.96
O2—C121.375 (9)C4—H4b0.96
O2—C111.38 (1)C4—H4c0.96
O3—C111.21 (1)C6—Ha0.93
O5—C151.37 (1)C7—H70.93
C5—C131.39 (1)C10—H100.93
C5—C61.42 (1)C13—H130.93
C6—C71.35 (1)C14—H14a0.96
C7—C81.39 (1)C14—H14b0.96
C8—C121.40 (1)C14—H14c0.96
C8—C91.44 (1)C15—H15a0.96
C9—C101.34 (1)C15—H15b0.96
C9—C141.48 (1)C15—H15c0.96
C10—C111.42 (1)
C1—Sn1—C2133.3 (4)C12—C13—C5121.6 (7)
C1—Sn1—O197.5 (3)Sn1—C1—H1a109.5
C1—Sn1—O4113.1 (3)Sn1—C1—H1b109.5
C1—Sn1—O592.8 (3)H1a—C1—H1b109.5
C2—Sn1—O198.8 (4)Sn1—C1—H1c109.5
C2—Sn1—O4112.7 (4)H1a—C1—H1c109.5
C2—Sn1—O593.4 (4)H1b—C1—H1c109.5
O1—Sn1—O479.9 (2)Sn1—C2—H2a109.5
O4—Sn1—O571.4 (2)Sn1—C2—H2b109.5
O1—Sn1—O5151.3 (2)H2a—C2—H2b109.5
C3—Sn2—C4130.6 (4)Sn1—C2—H2c109.5
C3—Sn2—O4113.3 (4)H2a—C2—H2c109.5
C3—Sn2—O4i97.4 (3)H2b—C2—H2c109.5
C3—Sn2—O597.1 (3)Sn2—C3—H3a109.5
C4—Sn2—O4116.1 (4)Sn2—C3—H3b109.5
C4—Sn2—O4i98.4 (3)H3a—C3—H3b109.5
C4—Sn2—O595.7 (3)Sn2—C3—H3c109.5
O4—Sn2—O4i73.0 (2)H3a—C3—H3c109.5
O4—Sn2—O572.3 (2)H3b—C3—H3c109.5
O4i—Sn2—O5145.3 (2)Sn2—C4—H4a109.5
C5—O1—Sn1133.4 (5)Sn2—C4—H4b109.5
C12—O2—C11121.8 (7)H4a—C4—H4b109.5
Sn1—O4—Sn2114.9 (2)Sn2—C4—H4c109.5
Sn1—O4—Sn2i138.0 (2)H4a—C4—H4c109.5
Sn2—O4—Sn2i107.0 (2)H4b—C4—H4c109.5
C15—O5—Sn2128.9 (6)C7—C6—Ha119.3
C15—O5—Sn1129.1 (6)C5—C6—Ha119.3
Sn2—O5—Sn1101.4 (2)C6—C7—H7118.8
O1—C5—C13119.6 (7)C8—C7—H7118.8
O1—C5—C6124.2 (7)C9—C10—H10118.1
C13—C5—C6116.2 (7)C11—C10—H10118.1
C7—C6—C5121.4 (7)C12—C13—H13119.2
C6—C7—C8122.3 (7)C5—C13—H13119.2
C7—C8—C12116.5 (7)C9—C14—H14a109.5
C7—C8—C9125.2 (7)C9—C14—H14b109.5
C12—C8—C9118.3 (7)H14a—C14—H14b109.5
C10—C9—C8118.6 (8)C9—C14—H14c109.5
C10—C9—C14120.9 (8)H14a—C14—H14c109.5
C8—C9—C14120.5 (8)H14b—C14—H14c109.5
C9—C10—C11123.8 (8)O5—C15—H15a109.5
O3—C11—O2116 (1)O5—C15—H15b109.5
O3—C11—C10127.8 (9)H15a—C15—H15b109.5
O2—C11—C10116.6 (8)O5—C15—H15c109.5
C13—C12—O2117.3 (7)H15a—C15—H15c109.5
C13—C12—C8121.9 (7)H15b—C15—H15c109.5
O2—C12—C8120.8 (7)
O4—Sn1—O1—C5178.1 (8)O4—Sn1—O5—Sn21.8 (3)
C1—Sn1—O1—C569.6 (8)C1—Sn1—O5—Sn2115.3 (4)
C2—Sn1—O1—C566.5 (8)O1—Sn1—O5—Sn24.2 (7)
O5—Sn1—O1—C5179.6 (6)C2—Sn1—O5—Sn2111.1 (4)
C1—Sn1—O4—Sn287.0 (4)Sn1—O1—C5—C13177.9 (6)
O1—Sn1—O4—Sn2179.1 (3)Sn1—O1—C5—C64 (1)
C2—Sn1—O4—Sn283.7 (4)O1—C5—C6—C7179.3 (8)
O5—Sn1—O4—Sn22.1 (3)C13—C5—C6—C72 (1)
C1—Sn1—O4—Sn2i97.7 (5)C5—C6—C7—C81 (1)
O1—Sn1—O4—Sn2i3.8 (4)C6—C7—C8—C121 (1)
C2—Sn1—O4—Sn2i91.6 (5)C6—C7—C8—C9178.0 (8)
O5—Sn1—O4—Sn2i177.4 (5)C7—C8—C9—C10177.6 (8)
C4—Sn2—O4—Sn185.5 (4)C12—C8—C9—C100 (1)
O4i—Sn2—O4—Sn1176.7 (5)C7—C8—C9—C142 (1)
C3—Sn2—O4—Sn192.4 (4)C12—C8—C9—C14179.1 (8)
O5—Sn2—O4—Sn12.1 (3)C8—C9—C10—C110 (1)
C4—Sn2—O4—Sn2i91.2 (4)C14—C9—C10—C11179.3 (8)
O4i—Sn2—O4—Sn2i0.0C12—O2—C11—O3179.9 (8)
C3—Sn2—O4—Sn2i90.9 (3)C12—O2—C11—C103 (1)
O5—Sn2—O4—Sn2i178.9 (3)C9—C10—C11—O3178 (1)
O4—Sn2—O5—C15173 (1)C9—C10—C11—O21 (1)
C4—Sn2—O5—C1557 (1)C11—O2—C12—C13177.0 (8)
O4i—Sn2—O5—C15170.9 (9)C11—O2—C12—C83 (1)
C3—Sn2—O5—C1575 (1)C7—C8—C12—C131 (1)
O4—Sn2—O5—Sn11.8 (2)C9—C8—C12—C13178.5 (7)
C4—Sn2—O5—Sn1113.9 (4)C7—C8—C12—O2179.4 (7)
O4i—Sn2—O5—Sn10.2 (5)C9—C8—C12—O22 (1)
C3—Sn2—O5—Sn1114.0 (4)O2—C12—C13—C5178.4 (7)
O4—Sn1—O5—C15173 (1)C8—C12—C13—C52 (1)
C1—Sn1—O5—C1574 (1)O1—C5—C13—C12178.9 (7)
O1—Sn1—O5—C15175.2 (9)C6—C5—C13—C122 (1)
C2—Sn1—O5—C1560 (1)
Symmetry code: (i) x+1, y+1, z+1.
 

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