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The title compound, [Dy2(C4H5O2)6(C12H8N2)2]·2H2O, crystallizes as dimeric units with an inversion center. Each Dy atom is nine-coordinate, by seven O atoms from trans-2-butenoate groups and two N atoms from a phenanthroline mol­ecule. The dimer is quadruply bridged by trans-2-butenoates (two η112 and two η212 bridges). The intradimer Dy...Dy separation is 3.9003 (5) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803025352/wk6001sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803025352/wk6001Isup2.hkl
Contains datablock I

CCDC reference: 227747

Key indicators

  • Single-crystal X-ray study
  • T = 297 K
  • Mean [sigma](C-C) = 0.008 Å
  • H-atom completeness 93%
  • Disorder in solvent or counterion
  • R factor = 0.036
  • wR factor = 0.092
  • Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT430_ALERT_2_A Short Inter D...A Contact O1WA .. O1WA = 1.99 Ang.
Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.99 PLAT430_ALERT_2_B Short Inter D...A Contact O1A .. O1WA = 2.62 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O1WB .. O2A = 2.83 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O1A PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O2A PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C1A PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... Dy PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C2A' PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C2A" PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc. PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) ..... >O1WB PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) ..... <O1WA PLAT430_ALERT_2_C Short Inter D...A Contact O1A .. O1WA = 2.89 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 28 PLAT764_ALERT_4_C Overcomplete CIF Bond list Detected (Rep/Expd) . 1.12 Ratio
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C48 H50 Dy2 N4 O14 Atom count from the _atom_site data: C48 H46 Dy2 N4 O14 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 1 From the CIF: _chemical_formula_sum C48 H50 Dy2 N4 O14 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 48.00 48.00 0.00 H 50.00 46.00 4.00 Dy 2.00 2.00 0.00 N 4.00 4.00 0.00 O 14.00 14.00 0.00
1 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 17 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 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 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART-NT (Bruker, 2001); cell refinement: SMART-NT; data reduction: SAINT-NT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-PC (Sheldrick, 1994); software used to prepare material for publication: SHELXL97.

Di-µ-trans-2-butenoato-κ3O,O,O'-di-µ-trans-2-butenoato-κ2O,O'- bis[(trans-2-butenoato-κ2O,O')(1,10-phenanthroline- κ2N,N')dysprosium(III)] dihydrate top
Crystal data top
[Dy2(C4H5O2)6(C12H8N2)2]·2H2OZ = 1
Mr = 1231.92F(000) = 610
Triclinic, P1Dx = 1.685 Mg m3
a = 10.5490 (8) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.9773 (9) ÅCell parameters from 217 reflections
c = 11.4134 (9) Åθ = 2.1–22.9°
α = 78.991 (1)°µ = 3.12 mm1
β = 71.723 (1)°T = 297 K
γ = 77.354 (1)°Blocks, colorless
V = 1213.83 (17) Å30.32 × 0.24 × 0.12 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
5166 independent reflections
Radiation source: fine-focus sealed tube4598 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.025
φ and ω scansθmax = 27.9°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS in SAINT-NT; Bruker, 2002)
h = 1313
Tmin = 0.42, Tmax = 0.69k = 1414
9966 measured reflectionsl = 1414
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)] = 0.036Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0535P)2 + 0.5535P]
where P = (Fo2 + 2Fc2)/3
5166 reflections(Δ/σ)max = 0.011
350 parametersΔρmax = 1.54 e Å3
9 restraintsΔρmin = 0.84 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Dy0.99541 (2)0.137913 (18)0.864606 (18)0.03210 (9)
O1A0.9033 (6)0.0943 (5)0.7063 (4)0.0742 (14)
O2A0.7797 (4)0.2347 (4)0.8232 (5)0.0704 (13)
C1A0.7949 (8)0.1668 (8)0.7406 (7)0.073 (2)
C2A'0.7059 (18)0.1478 (14)0.6657 (12)0.041 (4)0.52 (3)
H2AA0.73950.09950.60040.049*0.52 (3)
C3A'0.580 (2)0.2030 (18)0.6982 (14)0.057 (5)0.52 (3)
H3AA0.55280.25230.76250.069*0.52 (3)
C4A'0.476 (3)0.192 (3)0.639 (4)0.080 (7)0.52 (3)
H4AD0.40600.15270.70000.121*0.52 (3)
H4AE0.51770.14290.57200.121*0.52 (3)
H4AF0.43750.27500.60780.121*0.52 (3)
C2A"0.650 (2)0.2008 (16)0.7176 (18)0.054 (6)0.48 (3)
H2AB0.58480.26590.75210.065*0.48 (3)
C3A"0.631 (2)0.136 (2)0.651 (2)0.068 (7)0.48 (3)
H3AB0.70430.07780.61430.082*0.48 (3)
C4A"0.498 (4)0.139 (3)0.623 (4)0.081 (8)0.48 (3)
H4AA0.51210.15320.53420.121*0.48 (3)
H4AB0.43120.20660.65970.121*0.48 (3)
H4AC0.46630.06070.65630.121*0.48 (3)
O1B1.1888 (4)0.1906 (3)0.9016 (3)0.0445 (8)
O2B1.1175 (3)0.0278 (3)1.0299 (3)0.0394 (7)
C1B1.1990 (5)0.1068 (5)0.9910 (5)0.0393 (11)
C2B1.3023 (5)0.0986 (5)1.0572 (5)0.0445 (12)
H2BA1.30670.03391.12230.053*
C3B1.3875 (5)0.1777 (5)1.0286 (5)0.0474 (12)
H3BA1.38180.24200.96330.057*
C4B1.4923 (6)0.1731 (7)1.0915 (6)0.0623 (16)
H4BA1.57930.17151.03080.093*
H4BB1.49410.09871.15120.093*
H4BC1.47130.24631.13320.093*
O1C1.1465 (4)0.0382 (3)0.7931 (3)0.0466 (8)
O2C1.1337 (4)0.2028 (3)0.9441 (3)0.0453 (8)
C1C1.1754 (5)0.1532 (4)0.8334 (4)0.0390 (10)
C2C1.2649 (6)0.2335 (5)0.7388 (5)0.0527 (13)
H2CA1.28410.19730.65600.063*
C3C1.3193 (5)0.3519 (5)0.7625 (5)0.0523 (13)
H3CA1.30260.38580.84600.063*
C4C1.4050 (7)0.4380 (7)0.6702 (7)0.076 (2)
H4CA1.48140.48400.69760.114*
H4CB1.43630.38940.59070.114*
H4CC1.35240.49590.66300.114*
N11.1309 (4)0.2245 (4)0.6448 (4)0.0394 (9)
N20.9868 (4)0.3788 (3)0.8202 (4)0.0394 (9)
C11.1962 (5)0.1525 (5)0.5591 (4)0.0474 (12)
H1A1.19760.06620.58030.057*
C21.2643 (4)0.1962 (6)0.4380 (5)0.0584 (15)
H2A1.31090.14020.38070.070*
C31.2614 (5)0.3228 (6)0.4045 (5)0.0571 (15)
H3A1.30500.35450.32370.068*
C41.1922 (5)0.4042 (5)0.4932 (5)0.0473 (12)
C51.1827 (6)0.5387 (6)0.4649 (6)0.0611 (16)
H5A1.22490.57390.38510.073*
C61.1141 (6)0.6136 (6)0.5518 (6)0.0580 (15)
H6A1.11000.70020.53130.070*
C71.0471 (5)0.5639 (5)0.6750 (5)0.0468 (12)
C80.9723 (6)0.6390 (5)0.7681 (6)0.0591 (15)
H8A0.96460.72620.75110.071*
C90.9108 (6)0.5842 (5)0.8836 (6)0.0598 (15)
H9A0.86330.63290.94710.072*
C100.9202 (5)0.4535 (5)0.9050 (5)0.0513 (13)
H10A0.87680.41710.98390.062*
C111.0514 (5)0.4325 (4)0.7058 (4)0.0379 (10)
C121.1277 (5)0.3508 (5)0.6128 (4)0.0387 (10)
O1WA1.0142 (16)0.0787 (12)0.5576 (11)0.050 (5)0.268 (9)
O1WB0.6073 (7)0.4644 (7)0.8849 (6)0.088 (3)0.732 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Dy0.03926 (13)0.02994 (13)0.02807 (12)0.00856 (8)0.01128 (8)0.00011 (8)
O1A0.096 (4)0.100 (4)0.045 (2)0.051 (3)0.032 (2)0.007 (2)
O2A0.061 (3)0.064 (3)0.086 (3)0.013 (2)0.038 (3)0.023 (3)
C1A0.083 (5)0.091 (6)0.062 (4)0.059 (5)0.049 (4)0.049 (4)
C2A'0.044 (9)0.043 (7)0.042 (6)0.015 (6)0.018 (5)0.003 (5)
C3A'0.053 (10)0.071 (10)0.059 (8)0.003 (8)0.036 (7)0.010 (7)
C4A'0.061 (11)0.085 (18)0.101 (15)0.024 (14)0.042 (10)0.018 (15)
C2A"0.066 (12)0.045 (8)0.054 (10)0.000 (7)0.028 (8)0.001 (7)
C3A"0.071 (13)0.058 (11)0.080 (12)0.016 (9)0.036 (10)0.007 (9)
C4A"0.087 (18)0.076 (18)0.099 (16)0.029 (16)0.063 (14)0.022 (16)
O1B0.052 (2)0.0412 (19)0.046 (2)0.0183 (16)0.0229 (16)0.0084 (16)
O2B0.0466 (19)0.0393 (18)0.0385 (18)0.0163 (15)0.0167 (15)0.0014 (14)
C1B0.037 (2)0.037 (3)0.044 (3)0.007 (2)0.010 (2)0.010 (2)
C2B0.050 (3)0.042 (3)0.044 (3)0.015 (2)0.019 (2)0.004 (2)
C3B0.046 (3)0.054 (3)0.043 (3)0.013 (2)0.013 (2)0.004 (2)
C4B0.049 (3)0.086 (5)0.063 (4)0.022 (3)0.018 (3)0.018 (3)
O1C0.059 (2)0.039 (2)0.0354 (18)0.0067 (16)0.0064 (16)0.0037 (15)
O2C0.059 (2)0.0349 (18)0.0331 (18)0.0044 (16)0.0055 (15)0.0013 (14)
C1C0.045 (3)0.035 (3)0.036 (2)0.009 (2)0.010 (2)0.005 (2)
C2C0.066 (4)0.046 (3)0.041 (3)0.004 (3)0.009 (3)0.010 (2)
C3C0.051 (3)0.054 (3)0.052 (3)0.007 (3)0.013 (3)0.012 (3)
C4C0.062 (4)0.067 (4)0.095 (5)0.011 (3)0.018 (4)0.036 (4)
N10.047 (2)0.041 (2)0.033 (2)0.0132 (18)0.0136 (17)0.0011 (17)
N20.051 (2)0.029 (2)0.039 (2)0.0073 (17)0.0162 (18)0.0004 (17)
C10.059 (3)0.047 (3)0.032 (2)0.011 (2)0.007 (2)0.002 (2)
C20.070 (4)0.066 (4)0.035 (3)0.014 (3)0.007 (3)0.007 (3)
C30.060 (4)0.072 (4)0.037 (3)0.025 (3)0.010 (2)0.007 (3)
C40.049 (3)0.053 (3)0.044 (3)0.017 (2)0.020 (2)0.008 (2)
C50.074 (4)0.059 (4)0.052 (3)0.033 (3)0.020 (3)0.020 (3)
C60.067 (4)0.042 (3)0.067 (4)0.023 (3)0.027 (3)0.016 (3)
C70.052 (3)0.038 (3)0.056 (3)0.014 (2)0.028 (3)0.008 (2)
C80.067 (4)0.036 (3)0.081 (4)0.007 (3)0.036 (3)0.002 (3)
C90.077 (4)0.038 (3)0.065 (4)0.005 (3)0.022 (3)0.009 (3)
C100.062 (3)0.037 (3)0.050 (3)0.008 (2)0.010 (3)0.002 (2)
C110.043 (3)0.034 (2)0.043 (3)0.012 (2)0.025 (2)0.007 (2)
C120.046 (3)0.041 (3)0.033 (2)0.017 (2)0.017 (2)0.007 (2)
O1WA0.095 (12)0.032 (7)0.028 (7)0.012 (7)0.024 (7)0.005 (5)
O1WB0.084 (5)0.082 (5)0.078 (5)0.006 (4)0.015 (4)0.001 (4)
Geometric parameters (Å, º) top
Dy—O1C2.320 (3)C4B—H4BA0.9600
Dy—O2Bi2.321 (3)C4B—H4BB0.9600
Dy—O2Ci2.331 (3)C4B—H4BC0.9600
Dy—O1B2.413 (3)O1C—C1C1.263 (6)
Dy—O2A2.440 (4)O2C—C1C1.257 (6)
Dy—O1A2.464 (4)O2C—Dyi2.331 (3)
Dy—O2B2.579 (3)C1C—C2C1.481 (7)
Dy—N22.582 (4)C2C—C3C1.315 (8)
Dy—N12.584 (4)C2C—H2CA0.9300
Dy—C1A2.826 (6)C3C—C4C1.492 (8)
Dy—C1B2.871 (5)C3C—H3CA0.9300
Dy—Dyi3.9006 (4)C4C—H4CA0.9600
O1A—C1A1.239 (10)C4C—H4CB0.9600
O2A—C1A1.261 (10)C4C—H4CC0.9600
C1A—C2A'1.522 (16)N1—C11.300 (6)
C1A—C2A"1.58 (2)N1—C121.360 (6)
C2A'—C3A'1.30 (3)N2—C101.314 (6)
C2A'—H2AA0.9300N2—C111.357 (6)
C3A'—C4A'1.49 (4)C1—C21.390 (7)
C3A'—H3AA0.9300C1—H1A0.9300
C4A'—H4AD0.9600C2—C31.366 (8)
C4A'—H4AE0.9600C2—H2A0.9300
C4A'—H4AF0.9600C3—C41.397 (8)
C2A"—C3A"1.23 (4)C3—H3A0.9300
C2A"—H2AB0.9300C4—C121.399 (7)
C3A"—C4A"1.53 (4)C4—C51.438 (8)
C3A"—H3AB0.9300C5—C61.336 (9)
C4A"—H4AA0.9600C5—H5A0.9300
C4A"—H4AB0.9600C6—C71.424 (8)
C4A"—H4AC0.9600C6—H6A0.9300
O1B—C1B1.252 (6)C7—C81.398 (8)
O2B—C1B1.276 (6)C7—C111.412 (7)
O2B—Dyi2.321 (3)C8—C91.362 (9)
C1B—C2B1.488 (7)C8—H8A0.9300
C2B—C3B1.310 (7)C9—C101.395 (7)
C2B—H2BA0.9300C9—H9A0.9300
C3B—C4B1.484 (7)C10—H10A0.9300
C3B—H3BA0.9300C11—C121.446 (7)
O1C—Dy—O2Bi76.57 (12)C4A"—C3A"—H3AB116.7
O1C—Dy—O2Ci137.43 (12)C3A"—C4A"—H4AA109.1
O2Bi—Dy—O2Ci75.14 (12)C3A"—C4A"—H4AB109.7
O1C—Dy—O1B84.13 (13)H4AA—C4A"—H4AB109.5
O2Bi—Dy—O1B126.55 (11)C3A"—C4A"—H4AC109.6
O2Ci—Dy—O1B87.82 (13)H4AA—C4A"—H4AC109.5
O1C—Dy—O2A129.59 (17)H4AB—C4A"—H4AC109.5
O2Bi—Dy—O2A84.29 (13)C1B—O1B—Dy98.1 (3)
O2Ci—Dy—O2A78.06 (16)C1B—O2B—Dyi164.9 (3)
O1B—Dy—O2A141.55 (15)C1B—O2B—Dy89.7 (3)
O1C—Dy—O1A78.07 (18)Dyi—O2B—Dy105.38 (12)
O2Bi—Dy—O1A78.00 (13)O1B—C1B—O2B120.2 (4)
O2Ci—Dy—O1A125.18 (17)O1B—C1B—C2B121.5 (4)
O1B—Dy—O1A145.16 (15)O2B—C1B—C2B118.3 (4)
O2A—Dy—O1A52.28 (19)O1B—C1B—Dy56.3 (2)
O1C—Dy—O2B70.58 (11)O2B—C1B—Dy63.9 (2)
O2Bi—Dy—O2B74.62 (12)C2B—C1B—Dy176.7 (4)
O2Ci—Dy—O2B71.65 (12)C3B—C2B—C1B123.6 (5)
O1B—Dy—O2B51.94 (10)C3B—C2B—H2BA118.2
O2A—Dy—O2B146.54 (14)C1B—C2B—H2BA118.2
O1A—Dy—O2B142.17 (15)C2B—C3B—C4B125.5 (5)
O1C—Dy—N2136.39 (13)C2B—C3B—H3BA117.3
O2Bi—Dy—N2146.97 (13)C4B—C3B—H3BA117.3
O2Ci—Dy—N277.66 (12)C3B—C4B—H4BA109.5
O1B—Dy—N270.12 (12)C3B—C4B—H4BB109.5
O2A—Dy—N271.97 (14)H4BA—C4B—H4BB109.5
O1A—Dy—N2103.40 (15)C3B—C4B—H4BC109.5
O2B—Dy—N2113.81 (11)H4BA—C4B—H4BC109.5
O1C—Dy—N176.76 (12)H4BB—C4B—H4BC109.5
O2Bi—Dy—N1141.62 (12)C1C—O1C—Dy137.5 (3)
O2Ci—Dy—N1141.33 (12)C1C—O2C—Dyi137.7 (3)
O1B—Dy—N177.07 (12)O2C—C1C—O1C125.6 (5)
O2A—Dy—N191.95 (14)O2C—C1C—C2C119.1 (4)
O1A—Dy—N169.84 (14)O1C—C1C—C2C115.3 (4)
O2B—Dy—N1120.67 (11)C3C—C2C—C1C125.3 (5)
N2—Dy—N163.77 (13)C3C—C2C—H2CA117.4
O1C—Dy—C1A103.4 (2)C1C—C2C—H2CA117.4
O2Bi—Dy—C1A78.65 (14)C2C—C3C—C4C127.2 (6)
O2Ci—Dy—C1A101.5 (2)C2C—C3C—H3CA116.4
O1B—Dy—C1A154.79 (14)C4C—C3C—H3CA116.4
O2A—Dy—C1A26.4 (2)C3C—C4C—H4CA109.5
O1A—Dy—C1A25.9 (2)C3C—C4C—H4CB109.5
O2B—Dy—C1A153.27 (14)H4CA—C4C—H4CB109.5
N2—Dy—C1A88.84 (19)C3C—C4C—H4CC109.5
N1—Dy—C1A81.27 (16)H4CA—C4C—H4CC109.5
O1C—Dy—C1B76.36 (13)H4CB—C4C—H4CC109.5
O2Bi—Dy—C1B101.00 (13)C1—N1—C12117.6 (4)
O2Ci—Dy—C1B78.58 (13)C1—N1—Dy122.5 (3)
O1B—Dy—C1B25.56 (12)C12—N1—Dy119.8 (3)
O2A—Dy—C1B153.80 (17)C10—N2—C11117.7 (4)
O1A—Dy—C1B153.88 (18)C10—N2—Dy122.3 (3)
O2B—Dy—C1B26.38 (12)C11—N2—Dy120.0 (3)
N2—Dy—C1B91.55 (13)N1—C1—C2124.2 (5)
N1—Dy—C1B98.95 (13)N1—C1—H1A117.9
C1A—Dy—C1B179.61 (17)C2—C1—H1A117.9
O1C—Dy—Dyi69.02 (8)C3—C2—C1118.8 (6)
O2Bi—Dy—Dyi39.60 (8)C3—C2—H2A120.6
O2Ci—Dy—Dyi68.85 (8)C1—C2—H2A120.6
O1B—Dy—Dyi86.95 (8)C2—C3—C4119.2 (5)
O2A—Dy—Dyi119.50 (10)C2—C3—H3A120.4
O1A—Dy—Dyi113.48 (11)C4—C3—H3A120.4
O2B—Dy—Dyi35.02 (7)C3—C4—C12117.6 (5)
N2—Dy—Dyi139.98 (9)C3—C4—C5122.6 (5)
N1—Dy—Dyi143.49 (9)C12—C4—C5119.8 (5)
C1A—Dy—Dyi118.25 (12)C6—C5—C4120.9 (5)
C1B—Dy—Dyi61.40 (10)C6—C5—H5A119.6
C1A—O1A—Dy93.6 (4)C4—C5—H5A119.6
C1A—O2A—Dy94.1 (4)C5—C6—C7121.5 (5)
O1A—C1A—O2A119.6 (6)C5—C6—H6A119.2
O1A—C1A—C2A'105.6 (10)C7—C6—H6A119.2
O2A—C1A—C2A'134.7 (11)C8—C7—C11117.3 (5)
O1A—C1A—C2A"138.8 (11)C8—C7—C6123.4 (5)
O2A—C1A—C2A"101.4 (11)C11—C7—C6119.3 (5)
O1A—C1A—Dy60.5 (3)C9—C8—C7119.8 (5)
O2A—C1A—Dy59.5 (3)C9—C8—H8A120.1
C2A'—C1A—Dy164.8 (9)C7—C8—H8A120.1
C2A"—C1A—Dy159.0 (10)C8—C9—C10118.8 (6)
C3A'—C2A'—C1A116.2 (18)C8—C9—H9A120.6
C3A'—C2A'—H2AA121.9C10—C9—H9A120.6
C1A—C2A'—H2AA121.9N2—C10—C9123.9 (5)
C2A'—C3A'—C4A'124 (2)N2—C10—H10A118.0
C2A'—C3A'—H3AA117.8C9—C10—H10A118.0
C4A'—C3A'—H3AA117.9N2—C11—C7122.6 (5)
C3A"—C2A"—C1A116 (2)N2—C11—C12118.1 (4)
C3A"—C2A"—H2AB122.2C7—C11—C12119.3 (5)
C1A—C2A"—H2AB122.2N1—C12—C4122.6 (5)
C2A"—C3A"—C4A"127 (3)N1—C12—C11118.3 (4)
C2A"—C3A"—H3AB116.5C4—C12—C11119.1 (5)
Symmetry code: (i) x+2, y, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1A···O1C0.932.433.042 (6)124
C6—H6A···O1WAii0.932.453.318 (14)155
C10—H10A···O2Ci0.932.353.020 (6)128
O1WA···O1A??2.621 (15)?
O1WB···O2A??2.834 (16)?
Symmetry codes: (i) x+2, y, z+2; (ii) x, y+1, z.
 

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