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Acta Cryst. (2013). E69, m143    [ doi:10.1107/S1600536813003462 ]

Tris[dimethyl (benzoylamido)phosphato-[kappa]2O,O'](1,10-phenanthroline-[kappa]2N,N')neodymium(III)

N. S. Kariaka, V. A. Trush, V. V. Medviediev, T. Y. Sliva and V. M. Amirkhanov

Abstract top

In both independent molecules of the title compound, [Nd(C9H11NO4P)3(C12H8N2)], the NdIII atom is coordinated by six O atoms belonging to three phosphoryl ligands and two N atoms of 1,10-phenanthroline in a dodecahedral geometry. In the phosphoryl ligands, the benzene rings are twisted with respect to the planes of the sp2-hybridized C atoms of the chelate rings by 12.1 (1)-24.7 (1)°.

Comment top

Synthesis of luminescent lanthanide complexes (Oczko et al., 2003, Legendziewicz, et al., 2000) has been attracted a considerable interest because of their potential application, such as fluorescent labeling reagents and emitter materials in metal-organic light-emitting diodes. As a part of study of Ln(III) coordination compounds based on carbacylamidophosphates (CAPh), we have obtained the title compound [NdL3Phen] (Fig. 1) (L- is {C6H5CONPO(OCH3)2}-) and determined the crystal structure.

The complex has a molecular structure. The asymmetric unit of the [NdL3Phen] crystal structure contains two crystallographically independent molecules. In each molecule Nd(III) has eight-coordinated environment formed by six O atoms of the carboxyl and phosphoryl groups of three bidentate-chelate ligands and two nitrogen atoms of 1,10- phenanthroline. According to the geometrical criteria proposed for determination of the form of eight-apical polyhedra (Porai-Koshits & Aslanov 1972) the resulting polyhedra of Nd3+ ions in both independent molecules of [NdL3Phen] can be described as slightly distorted dodecahedron (Fig. 2).

The values of Nd—O distances are in a range of 2.3988 (16) - 2.4290 (16) Å for O atoms belonging to P=O groups and 2.3732 (17) - 2.4090 (14) Å for O atoms of carbonyl groups. The average P—O and C—O bond lengths increase in comparison to free ligand - (1.4818 (17) - 1.4890 (17) Å and 1.461 (4) Å for P—O groups of coordinated and free ligand and 1.244 (3) - 1.267 (3) Å and 1.219 (6) Å for C—O bond lengths respectively). The average P—N and C—N bond lengths decrease in comparison to free ligand (1.604 (2) - 1.612 (2) Å and 1.667 (5) Å for P—N groups of coordinated and free ligand and 1.304 (3) - 1.327 (3) Å and 1.393 (7) Å for C—N bond lengths respectively). Chelate 6-membered metal-cycles formed by oxygen ligands are characterized by deviations from mean-square planes, which do not exceed 0.37 Å with maximum one found for N(3) atom. Deviations of the Nd atoms from the mean planes defined by the other five atoms are in the range 0.08–0.49 Å. The bite angles around the central atom lay in range 70.89 (6) - 73.56 (6)° that is typical for lanthanide complexes with oxygen donor chelate ligands (Malandrino et al., 1998; Znovjyak et al., 2009). 1,10-phenanthroline is bidentate coordinated forming five-membered chelate cycle and the deviations from the plane plotted through atoms of chelate cycle do not exceed 0.11 Å. The crystal packing exhibits weak intermolecular H – O contacts between hydrogen atoms of 1,10- phenanthroline and oxygen atoms of phosphoryl and methyl groups of neighboring molecules, H – N contacts between hydrogen atoms of phenyl ring of CAPh-ligands and nitrogen atoms of chelating cycles and H – C contacts.

Related literature top

For the phosphoryl ligand, see: Kirsanov (1954); Derkach et al. (1960); Mizrahi & Modro (1982). For the coordinating properties of carbacylamidophosphates, see: Legendziewicz et al. (2000); Znovjyak et al. (2009). For related molecules, see: Oczko et al. (2003); Malandrino et al. (1998). For the calculation of polyhedra of lanthanide anions, see: Porai-Koshits & Aslanov (1972).

Experimental top

The synthesis of HL (Mizrahi & Modro, 1982) was carried out according to the method by Kirsanov (Kirsanov, 1954; Derkach et al., 1960).

Nd(NO3)3.6H2O 0.4373 g (1 mmol) was dissolved in 2-propanol (15 ml). The solution was dehydrated by HC(OC2H5)3 (6 mmol) being heated to the boiling point and then cooled down. The resulting solution was added to solution of NaL 0.7535 g (3 mmol) in acetone (10 ml). Then the acetone solution (5 ml) of 1,10- phenanthroline 0.1802 g (1 mmol) was added. The mixture was heated to the boiling point and cooled down. After 15 minutes the precipitated NaNO3 was filtered and washed with 10 ml of cold i-PrOH. The resulting clear solution was left at ambient temperature for crystallization on air. The crystals were separated by filtration after \~ 48 h, washed with cool i-PrOH and finally dried on air. Yield: 0.80–0.86 g (80–85%). The single-crystal were obtained from acetone/2-propanol mixture of solvents.

Refinement top

All H atoms were positioned geometrically and refined using a riding model, with C—H = 0.93–0.96 Å and Uĩso~(H) = xUeq(C), where x = 1.5 for methyl H and 1.2 for all other H atoms. A rotating-group model was applied for the methyl groups.

Computing details top

Data collection: CrysAlis PRO (Agilent, 2012); cell refinement: CrysAlis PRO (Agilent, 2012); data reduction: CrysAlis PRO (Agilent, 2012); 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: publCIF (Westrip, 2010).

Figures top
[Figure 1] Fig. 1. View of [NdL3Phen] molecule (Molecule 1) with atom numbering scheme. H atoms have been omitted.
[Figure 2] Fig. 2. Polyhedron of Nd1 coordination center.
Tris[dimethyl (benzoylamido)phosphato-κ2O,O'](1,10-phenanthroline-κ2N,N')neodymium(III) top
Crystal data top
[Nd(C9H11NO4P)3(C12H8N2)]Z = 4
Mr = 1008.92F(000) = 2044
Triclinic, P1Dx = 1.520 Mg m−3
a = 13.0418 (4) ÅMo Kα radiation, λ = 0.7107 Å
b = 17.8453 (7) ÅCell parameters from 12027 reflections
c = 21.8391 (9) Åθ = 3.0–32.4°
α = 106.915 (3)°µ = 1.35 mm−1
β = 104.977 (3)°T = 293 K
γ = 104.125 (3)°Block, blue
V = 4408.5 (3) Å30.3 × 0.2 × 0.1 mm
Data collection top
Agilent Xcalibur Sapphire3
diffractometer		25698 independent reflections
Radiation source: Enhance (Mo) X-ray Source17831 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.022
Detector resolution: 16.1827 pixels mm-1θmax = 30.0°, θmin = 3.0°
ω scansh = −18→18
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2012)		k = −25→24
Tmin = 0.735, Tmax = 1.000l = −30→30
52874 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)] = 0.036Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.089H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0402P)2]
where P = (Fo2 + 2Fc2)/3
25698 reflections(Δ/σ)max = 0.002
1093 parametersΔρmax = 0.86 e Å−3
0 restraintsΔρmin = −0.96 e Å−3
Crystal data top
[Nd(C9H11NO4P)3(C12H8N2)]γ = 104.125 (3)°
Mr = 1008.92V = 4408.5 (3) Å3
Triclinic, P1Z = 4
a = 13.0418 (4) ÅMo Kα radiation
b = 17.8453 (7) ŵ = 1.35 mm−1
c = 21.8391 (9) ÅT = 293 K
α = 106.915 (3)°0.3 × 0.2 × 0.1 mm
β = 104.977 (3)°
Data collection top
Agilent Xcalibur Sapphire3
diffractometer		25698 independent reflections
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2012)		17831 reflections with I > 2σ(I)
Tmin = 0.735, Tmax = 1.000Rint = 0.022
52874 measured reflectionsθmax = 30.0°
Refinement top
R[F2 > 2σ(F2)] = 0.036H-atom parameters constrained
wR(F2) = 0.089Δρmax = 0.86 e Å−3
S = 1.01Δρmin = −0.96 e Å−3
25698 reflectionsAbsolute structure: ?
1093 parametersFlack parameter: ?
0 restraintsRogers parameter: ?
Special details top

Experimental. Analysis found Nd 14.1% requires Nd 14.3%; IR (KBr pellet, cm-1) 1187 (s, PO) and 1520 (s, CO); 31P NMR (C6H6, p.p.m.) 45.1.

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
Nd10.617917 (10)0.295596 (7)0.447837 (6)0.03273 (4)
Nd20.131636 (10)0.293845 (7)−0.049923 (6)0.03388 (4)
P10.49607 (5)0.07434 (4)0.36905 (3)0.04061 (15)
P20.58187 (5)0.38150 (4)0.31596 (4)0.04062 (15)
P30.56262 (6)0.29911 (4)0.60060 (4)0.04168 (15)
P40.07586 (6)0.30703 (5)0.10339 (4)0.04714 (17)
P50.00787 (6)0.07152 (4)−0.13032 (4)0.04558 (16)
P60.07716 (6)0.36375 (5)−0.19138 (4)0.04486 (16)
O10.48112 (14)0.15713 (10)0.38950 (9)0.0451 (4)
O20.71402 (14)0.20039 (10)0.46221 (10)0.0493 (4)
O30.50116 (18)0.04425 (13)0.29513 (10)0.0627 (5)
O40.38556 (15)0.00442 (11)0.35902 (10)0.0550 (5)
O50.56495 (17)0.37367 (12)0.37864 (10)0.0561 (5)
O60.66572 (19)0.25316 (12)0.34748 (10)0.0619 (6)
O70.65483 (16)0.47342 (11)0.32988 (11)0.0615 (6)
O80.46267 (17)0.36677 (14)0.26545 (11)0.0636 (5)
O90.64153 (14)0.29885 (11)0.56229 (9)0.0473 (4)
O100.44834 (13)0.30651 (10)0.46812 (9)0.0417 (4)
O110.57924 (16)0.24521 (13)0.64584 (10)0.0546 (5)
O120.59086 (18)0.38675 (12)0.65684 (11)0.0627 (5)
O130.15669 (15)0.30351 (12)0.06661 (9)0.0522 (5)
O14−0.04023 (14)0.30238 (11)−0.03248 (9)0.0438 (4)
O150.09593 (19)0.26448 (16)0.15697 (11)0.0723 (6)
O160.10637 (18)0.39980 (14)0.15140 (11)0.0728 (6)
O17−0.00489 (14)0.15508 (11)−0.11238 (10)0.0513 (4)
O180.22431 (15)0.19880 (10)−0.03254 (10)0.0505 (4)
O190.01081 (19)0.03674 (13)−0.20443 (11)0.0669 (6)
O20−0.10225 (16)0.00374 (12)−0.13756 (11)0.0636 (5)
O210.07564 (16)0.36750 (11)−0.12301 (9)0.0505 (5)
O220.1843 (2)0.24942 (13)−0.14800 (11)0.0673 (6)
O230.13856 (19)0.45428 (13)−0.18615 (12)0.0683 (6)
O24−0.04399 (18)0.34463 (16)−0.24230 (11)0.0733 (6)
N10.60160 (18)0.06224 (12)0.41766 (12)0.0476 (5)
N20.64305 (19)0.32649 (14)0.27692 (11)0.0468 (5)
N30.42936 (17)0.26788 (14)0.55794 (12)0.0481 (5)
N40.69678 (16)0.45475 (11)0.53438 (10)0.0379 (4)
N50.83932 (16)0.37799 (12)0.49587 (11)0.0405 (5)
N6−0.05765 (18)0.26722 (15)0.05877 (12)0.0510 (6)
N70.11368 (19)0.06011 (13)−0.08186 (12)0.0543 (6)
N80.1323 (2)0.30280 (15)−0.23004 (11)0.0521 (6)
N90.35314 (17)0.37867 (12)0.00072 (12)0.0454 (5)
N100.20596 (17)0.45473 (12)0.03140 (11)0.0436 (5)
C10.69496 (19)0.12614 (14)0.45706 (12)0.0340 (5)
C20.7893 (2)0.11032 (15)0.50094 (12)0.0376 (5)
C30.7979 (2)0.03164 (17)0.48621 (16)0.0550 (7)
H30.7429−0.01340.44860.066*
C40.8883 (3)0.0197 (2)0.5275 (2)0.0704 (9)
H40.8940−0.03320.51680.085*
C50.9681 (3)0.0841 (3)0.58316 (19)0.0721 (10)
H51.02820.07540.61040.087*
C60.9603 (3)0.1626 (2)0.59936 (16)0.0689 (9)
H61.01460.20680.63790.083*
C70.8715 (2)0.17554 (18)0.55812 (14)0.0507 (6)
H70.86700.22880.56900.061*
C80.4256 (4)0.0552 (3)0.24105 (18)0.0971 (13)
H8A0.43120.02590.19830.146*
H8B0.44500.11350.24900.146*
H8C0.34950.03350.23940.146*
C90.3389 (3)0.0148 (2)0.41203 (19)0.0767 (10)
H9A0.2688−0.03030.39690.115*
H9B0.32550.06680.42270.115*
H9C0.39090.01470.45210.115*
C100.67470 (19)0.27015 (14)0.29668 (12)0.0365 (5)
C110.73026 (19)0.22081 (15)0.25593 (12)0.0381 (5)
C120.7661 (2)0.24398 (17)0.20763 (13)0.0445 (6)
H120.75300.28910.19820.053*
C130.8219 (2)0.1993 (2)0.17321 (14)0.0574 (8)
H130.84720.21510.14130.069*
C140.8394 (2)0.1318 (2)0.18644 (15)0.0576 (8)
H140.87700.10230.16370.069*
C150.8018 (3)0.10819 (19)0.23284 (16)0.0592 (8)
H150.81200.06150.24060.071*
C160.7483 (2)0.15297 (17)0.26882 (14)0.0501 (7)
H160.72480.13730.30140.060*
C170.6256 (3)0.54325 (19)0.3659 (2)0.1005 (14)
H17A0.54970.53690.34080.151*
H17B0.67690.59460.36980.151*
H17C0.63110.54410.41080.151*
C180.4477 (4)0.3802 (3)0.2043 (2)0.1243 (17)
H18A0.36950.35380.17520.186*
H18B0.49310.35700.18150.186*
H18C0.47020.43910.21410.186*
C190.39075 (19)0.27265 (14)0.49775 (13)0.0370 (5)
C200.2656 (2)0.23339 (14)0.46081 (14)0.0407 (6)
C210.1920 (2)0.21578 (17)0.49471 (16)0.0513 (7)
H210.22090.22900.54170.062*
C220.0768 (2)0.1790 (2)0.46014 (19)0.0632 (8)
H220.02870.16770.48370.076*
C230.0339 (3)0.1593 (2)0.3917 (2)0.0782 (10)
H23−0.04380.13460.36840.094*
C240.1045 (3)0.1755 (2)0.3565 (2)0.0878 (12)
H240.07460.16130.30950.105*
C250.2206 (3)0.2132 (2)0.39115 (17)0.0645 (8)
H250.26820.22490.36730.077*
C260.5705 (3)0.1602 (2)0.6125 (2)0.0832 (11)
H26A0.49460.12840.58100.125*
H26B0.58900.13640.64630.125*
H26C0.62200.15900.58810.125*
C270.7027 (3)0.4328 (2)0.70525 (17)0.0877 (11)
H27A0.75520.43640.68160.132*
H27B0.72130.40500.73590.132*
H27C0.70700.48790.73090.132*
C280.9103 (2)0.34192 (16)0.47721 (16)0.0518 (7)
H280.87990.29040.44100.062*
C291.0268 (2)0.37663 (19)0.50861 (19)0.0603 (8)
H291.07280.34930.49320.072*
C301.0727 (2)0.45103 (19)0.56216 (19)0.0628 (9)
H301.15080.47480.58400.075*
C311.0027 (2)0.49242 (16)0.58481 (15)0.0488 (6)
C320.88484 (19)0.45315 (14)0.54909 (13)0.0388 (5)
C331.0441 (2)0.57186 (18)0.64032 (17)0.0617 (8)
H331.12160.59750.66420.074*
C340.9747 (3)0.60949 (18)0.65829 (16)0.0620 (8)
H341.00440.66120.69420.074*
C350.8547 (2)0.57211 (16)0.62352 (14)0.0490 (6)
C360.8097 (2)0.49393 (14)0.56918 (13)0.0380 (5)
C370.7775 (3)0.60919 (17)0.64110 (16)0.0607 (8)
H370.80370.66040.67730.073*
C380.6650 (3)0.57046 (18)0.60538 (16)0.0593 (8)
H380.61360.59530.61580.071*
C390.6282 (2)0.49274 (16)0.55277 (14)0.0480 (6)
H390.55080.46600.52920.058*
C40−0.0976 (2)0.26976 (15)−0.00210 (13)0.0404 (5)
C41−0.2227 (2)0.23077 (15)−0.03819 (15)0.0459 (6)
C42−0.2954 (2)0.22200 (19)−0.00240 (18)0.0612 (8)
H42−0.26610.24090.04510.073*
C43−0.4111 (3)0.1855 (2)−0.0366 (2)0.0774 (11)
H43−0.45920.1799−0.01200.093*
C44−0.4542 (3)0.1579 (2)−0.1056 (3)0.0912 (13)
H44−0.53210.1339−0.12830.109*
C45−0.3838 (3)0.1648 (3)−0.1427 (2)0.0957 (13)
H45−0.41380.1447−0.19030.115*
C46−0.2674 (3)0.2022 (2)−0.10834 (18)0.0699 (9)
H46−0.21960.2078−0.13300.084*
C470.1010 (4)0.1837 (3)0.1365 (3)0.125 (2)
H47A0.03130.14580.10060.187*
H47B0.11280.16660.17480.187*
H47C0.16250.18350.12000.187*
C480.0262 (3)0.4297 (2)0.1747 (2)0.1070 (15)
H48A−0.03910.41820.13610.161*
H48B0.05950.48880.20040.161*
H48C0.00400.40220.20350.161*
C490.2056 (2)0.12378 (14)−0.03989 (12)0.0367 (5)
C500.2982 (2)0.10667 (15)0.00392 (13)0.0396 (5)
C510.3059 (3)0.02798 (19)−0.00990 (17)0.0665 (8)
H510.2513−0.0172−0.04760.080*
C520.3954 (3)0.0163 (2)0.0326 (2)0.0809 (11)
H520.4008−0.03660.02260.097*
C530.4739 (3)0.0804 (3)0.0880 (2)0.0775 (10)
H530.53380.07190.11570.093*
C540.4659 (3)0.1580 (2)0.10371 (18)0.0763 (10)
H540.51900.20200.14280.092*
C550.3787 (2)0.17106 (19)0.06154 (15)0.0570 (7)
H550.37430.22430.07230.068*
C56−0.0655 (4)0.0440 (3)−0.26010 (18)0.1022 (14)
H56A−0.06140.0112−0.30230.153*
H56B−0.04570.1014−0.25530.153*
H56C−0.14110.0243−0.26040.153*
C57−0.1442 (3)0.0161 (2)−0.0821 (2)0.0926 (12)
H57A−0.2146−0.0279−0.09550.139*
H57B−0.15570.0688−0.07070.139*
H57C−0.09030.0157−0.04290.139*
C580.1793 (2)0.25685 (16)−0.20392 (13)0.0407 (6)
C590.2349 (2)0.20720 (15)−0.24419 (12)0.0400 (5)
C600.2657 (2)0.22763 (18)−0.29488 (13)0.0500 (7)
H600.24760.2700−0.30680.060*
C610.3239 (2)0.1842 (2)−0.32791 (15)0.0615 (8)
H610.34720.1990−0.36090.074*
C620.3469 (3)0.1203 (2)−0.31213 (16)0.0655 (9)
H620.38570.0916−0.33450.079*
C630.3135 (3)0.09776 (19)−0.26378 (17)0.0654 (8)
H630.32720.0529−0.25430.078*
C640.2587 (2)0.14274 (18)−0.22884 (15)0.0562 (7)
H640.23810.1288−0.19480.067*
C650.1555 (4)0.4686 (3)−0.2446 (2)0.1210 (17)
H65A0.08360.4499−0.28060.181*
H65B0.20140.4383−0.26010.181*
H65C0.19270.5271−0.23240.181*
C66−0.1299 (3)0.2653 (3)−0.2587 (2)0.1158 (16)
H66A−0.18220.2468−0.30460.174*
H66B−0.16970.2721−0.22730.174*
H66C−0.09460.2247−0.25520.174*
C670.4255 (2)0.34355 (17)−0.01629 (17)0.0571 (8)
H670.39690.2913−0.05160.068*
C680.5426 (3)0.3810 (2)0.0161 (2)0.0690 (9)
H680.59040.35470.00190.083*
C690.5851 (2)0.4557 (2)0.0682 (2)0.0720 (10)
H690.66290.48110.09070.086*
C700.5126 (2)0.49542 (18)0.08852 (16)0.0572 (7)
C710.3956 (2)0.45465 (15)0.05225 (14)0.0449 (6)
C720.5508 (3)0.5757 (2)0.14362 (19)0.0777 (10)
H720.62770.60220.16900.093*
C730.4783 (3)0.6129 (2)0.15896 (19)0.0767 (10)
H730.50560.66470.19470.092*
C740.3599 (3)0.57442 (17)0.12140 (15)0.0554 (7)
C750.3180 (2)0.49520 (14)0.06853 (13)0.0417 (6)
C760.2810 (3)0.61253 (18)0.13343 (17)0.0688 (9)
H760.30540.66530.16750.083*
C770.1700 (3)0.57299 (19)0.09574 (17)0.0681 (9)
H770.11740.59820.10320.082*
C780.1357 (3)0.49342 (17)0.04531 (15)0.0591 (8)
H780.05880.46620.02010.071*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Nd10.03239 (7)0.02905 (7)0.03956 (8)0.01171 (5)0.01436 (6)0.01453 (6)
Nd20.03584 (7)0.03235 (7)0.03512 (8)0.01356 (5)0.01268 (6)0.01353 (6)
P10.0384 (3)0.0307 (3)0.0429 (4)0.0078 (3)0.0088 (3)0.0087 (3)
P20.0395 (3)0.0461 (4)0.0442 (4)0.0218 (3)0.0154 (3)0.0219 (3)
P30.0396 (3)0.0483 (4)0.0411 (4)0.0164 (3)0.0127 (3)0.0226 (3)
P40.0478 (4)0.0615 (5)0.0392 (4)0.0248 (4)0.0158 (3)0.0235 (4)
P50.0421 (3)0.0352 (3)0.0442 (4)0.0085 (3)0.0049 (3)0.0071 (3)
P60.0464 (4)0.0568 (4)0.0400 (4)0.0275 (3)0.0144 (3)0.0229 (3)
O10.0363 (9)0.0338 (9)0.0572 (12)0.0109 (7)0.0088 (8)0.0144 (8)
O20.0385 (9)0.0332 (9)0.0744 (13)0.0131 (8)0.0126 (9)0.0239 (9)
O30.0707 (14)0.0609 (13)0.0465 (12)0.0186 (11)0.0190 (11)0.0116 (10)
O40.0467 (10)0.0413 (10)0.0642 (13)0.0040 (8)0.0139 (10)0.0167 (10)
O50.0804 (14)0.0680 (12)0.0555 (12)0.0540 (11)0.0392 (11)0.0360 (10)
O60.0987 (16)0.0619 (12)0.0672 (14)0.0516 (12)0.0570 (13)0.0385 (11)
O70.0557 (12)0.0461 (11)0.0925 (17)0.0241 (10)0.0343 (12)0.0271 (11)
O80.0521 (11)0.0821 (15)0.0576 (13)0.0353 (11)0.0092 (11)0.0268 (12)
O90.0391 (9)0.0617 (11)0.0468 (11)0.0189 (9)0.0146 (8)0.0278 (9)
O100.0392 (9)0.0471 (10)0.0496 (11)0.0204 (8)0.0195 (8)0.0252 (9)
O110.0515 (11)0.0669 (13)0.0591 (13)0.0250 (10)0.0192 (10)0.0395 (11)
O120.0666 (13)0.0568 (13)0.0538 (13)0.0241 (11)0.0109 (11)0.0129 (11)
O130.0472 (10)0.0718 (13)0.0453 (11)0.0249 (10)0.0166 (9)0.0290 (10)
O140.0411 (9)0.0520 (10)0.0472 (11)0.0205 (8)0.0190 (8)0.0244 (9)
O150.0791 (15)0.1132 (19)0.0650 (14)0.0552 (14)0.0380 (13)0.0603 (14)
O160.0632 (13)0.0711 (15)0.0654 (15)0.0248 (12)0.0149 (12)0.0056 (12)
O170.0408 (9)0.0398 (10)0.0570 (12)0.0133 (8)0.0023 (9)0.0093 (9)
O180.0436 (10)0.0354 (9)0.0632 (13)0.0120 (8)0.0048 (9)0.0197 (9)
O190.0740 (14)0.0623 (13)0.0489 (13)0.0212 (11)0.0149 (12)0.0074 (11)
O200.0517 (12)0.0500 (12)0.0704 (14)0.0023 (9)0.0118 (11)0.0183 (11)
O210.0695 (12)0.0552 (11)0.0472 (11)0.0399 (10)0.0268 (10)0.0270 (9)
O220.1136 (18)0.0769 (14)0.0640 (14)0.0676 (14)0.0610 (14)0.0443 (12)
O230.0879 (16)0.0633 (13)0.0795 (16)0.0357 (12)0.0416 (14)0.0441 (13)
O240.0538 (12)0.0974 (18)0.0611 (14)0.0368 (13)0.0064 (11)0.0231 (13)
N10.0472 (12)0.0313 (11)0.0537 (14)0.0136 (9)0.0070 (11)0.0108 (10)
N20.0548 (13)0.0554 (14)0.0453 (13)0.0300 (11)0.0249 (11)0.0244 (11)
N30.0377 (11)0.0627 (14)0.0508 (14)0.0172 (10)0.0171 (11)0.0297 (12)
N40.0367 (10)0.0338 (10)0.0445 (12)0.0142 (9)0.0135 (10)0.0156 (9)
N50.0365 (10)0.0307 (10)0.0572 (14)0.0118 (9)0.0211 (10)0.0166 (10)
N60.0443 (12)0.0665 (15)0.0460 (13)0.0180 (11)0.0168 (11)0.0266 (12)
N70.0505 (13)0.0361 (12)0.0589 (15)0.0139 (10)0.0004 (12)0.0113 (11)
N80.0602 (14)0.0699 (16)0.0367 (12)0.0370 (13)0.0181 (11)0.0219 (12)
N90.0408 (11)0.0358 (11)0.0611 (15)0.0125 (9)0.0202 (11)0.0189 (11)
N100.0430 (11)0.0372 (11)0.0442 (13)0.0172 (10)0.0069 (10)0.0116 (10)
C10.0382 (12)0.0323 (12)0.0360 (13)0.0167 (10)0.0161 (11)0.0126 (10)
C20.0408 (13)0.0409 (13)0.0370 (14)0.0189 (11)0.0169 (11)0.0162 (11)
C30.0581 (17)0.0458 (15)0.0623 (19)0.0271 (14)0.0162 (15)0.0189 (14)
C40.073 (2)0.072 (2)0.093 (3)0.0485 (19)0.031 (2)0.046 (2)
C50.062 (2)0.111 (3)0.069 (2)0.048 (2)0.0243 (19)0.053 (2)
C60.0562 (18)0.096 (3)0.0454 (18)0.0289 (18)0.0079 (15)0.0206 (18)
C70.0505 (15)0.0534 (16)0.0440 (16)0.0213 (13)0.0122 (13)0.0137 (14)
C80.118 (3)0.107 (3)0.048 (2)0.028 (3)0.012 (2)0.028 (2)
C90.072 (2)0.071 (2)0.099 (3)0.0195 (18)0.045 (2)0.040 (2)
C100.0311 (11)0.0372 (12)0.0356 (13)0.0080 (10)0.0124 (10)0.0086 (11)
C110.0314 (11)0.0427 (13)0.0322 (13)0.0096 (10)0.0092 (10)0.0074 (11)
C120.0408 (13)0.0528 (15)0.0388 (14)0.0160 (12)0.0138 (12)0.0162 (12)
C130.0509 (16)0.082 (2)0.0415 (16)0.0228 (16)0.0248 (14)0.0190 (15)
C140.0529 (16)0.072 (2)0.0452 (17)0.0309 (16)0.0190 (14)0.0088 (15)
C150.0667 (19)0.0572 (18)0.061 (2)0.0364 (16)0.0254 (17)0.0173 (16)
C160.0573 (16)0.0519 (16)0.0507 (17)0.0278 (14)0.0251 (14)0.0200 (14)
C170.099 (3)0.055 (2)0.162 (4)0.043 (2)0.062 (3)0.033 (2)
C180.136 (4)0.153 (4)0.069 (3)0.084 (4)0.001 (3)0.024 (3)
C190.0367 (12)0.0344 (12)0.0424 (14)0.0154 (10)0.0147 (11)0.0146 (11)
C200.0382 (12)0.0345 (12)0.0535 (16)0.0162 (10)0.0146 (12)0.0205 (12)
C210.0438 (14)0.0557 (17)0.0637 (19)0.0206 (13)0.0220 (14)0.0303 (15)
C220.0405 (15)0.070 (2)0.088 (3)0.0191 (15)0.0245 (17)0.041 (2)
C230.0399 (16)0.075 (2)0.106 (3)0.0065 (16)0.0073 (19)0.043 (2)
C240.062 (2)0.101 (3)0.064 (2)0.004 (2)−0.0074 (19)0.027 (2)
C250.0489 (17)0.075 (2)0.059 (2)0.0078 (16)0.0113 (15)0.0283 (18)
C260.088 (3)0.065 (2)0.121 (3)0.035 (2)0.044 (3)0.054 (2)
C270.094 (3)0.081 (3)0.055 (2)0.016 (2)−0.002 (2)0.019 (2)
C280.0456 (14)0.0376 (14)0.079 (2)0.0178 (12)0.0311 (15)0.0211 (14)
C290.0422 (15)0.0523 (17)0.100 (3)0.0246 (14)0.0323 (17)0.0353 (18)
C300.0329 (13)0.0598 (19)0.101 (3)0.0149 (13)0.0197 (16)0.0427 (19)
C310.0332 (12)0.0439 (14)0.0652 (19)0.0074 (11)0.0101 (13)0.0264 (14)
C320.0344 (12)0.0326 (12)0.0512 (15)0.0095 (10)0.0134 (11)0.0214 (12)
C330.0389 (14)0.0508 (17)0.072 (2)0.0028 (13)0.0012 (15)0.0174 (16)
C340.0537 (17)0.0441 (16)0.060 (2)0.0029 (14)0.0032 (15)0.0064 (15)
C350.0492 (15)0.0355 (13)0.0512 (17)0.0115 (12)0.0104 (13)0.0100 (13)
C360.0371 (12)0.0320 (12)0.0435 (14)0.0115 (10)0.0111 (11)0.0153 (11)
C370.072 (2)0.0389 (15)0.059 (2)0.0192 (15)0.0191 (17)0.0045 (14)
C380.0657 (19)0.0486 (16)0.072 (2)0.0317 (15)0.0310 (18)0.0190 (16)
C390.0447 (14)0.0425 (14)0.0588 (18)0.0208 (12)0.0177 (14)0.0177 (13)
C400.0411 (13)0.0375 (13)0.0441 (15)0.0160 (11)0.0172 (12)0.0139 (12)
C410.0438 (14)0.0401 (14)0.0556 (17)0.0165 (12)0.0146 (13)0.0216 (13)
C420.0481 (16)0.069 (2)0.076 (2)0.0231 (15)0.0239 (16)0.0356 (18)
C430.0495 (18)0.081 (2)0.119 (3)0.0286 (18)0.032 (2)0.053 (3)
C440.0488 (19)0.077 (3)0.132 (4)0.0105 (18)0.008 (2)0.049 (3)
C450.069 (2)0.091 (3)0.081 (3)0.002 (2)−0.010 (2)0.023 (2)
C460.0555 (18)0.077 (2)0.061 (2)0.0091 (17)0.0099 (17)0.0234 (18)
C470.168 (5)0.136 (4)0.173 (5)0.104 (4)0.105 (4)0.119 (4)
C480.097 (3)0.096 (3)0.104 (3)0.036 (2)0.045 (3)−0.005 (3)
C490.0426 (13)0.0359 (12)0.0347 (13)0.0173 (11)0.0152 (11)0.0133 (11)
C500.0445 (13)0.0403 (13)0.0400 (14)0.0200 (11)0.0167 (12)0.0176 (12)
C510.073 (2)0.0530 (18)0.071 (2)0.0341 (16)0.0138 (18)0.0201 (17)
C520.088 (3)0.078 (2)0.099 (3)0.058 (2)0.027 (2)0.046 (2)
C530.069 (2)0.109 (3)0.075 (3)0.050 (2)0.018 (2)0.054 (2)
C540.060 (2)0.091 (3)0.060 (2)0.028 (2)0.0001 (17)0.023 (2)
C550.0550 (17)0.0568 (17)0.0498 (18)0.0231 (14)0.0058 (14)0.0151 (15)
C560.130 (4)0.109 (3)0.047 (2)0.040 (3)0.007 (2)0.023 (2)
C570.091 (3)0.093 (3)0.112 (3)0.028 (2)0.051 (3)0.053 (3)
C580.0375 (12)0.0464 (14)0.0348 (14)0.0114 (11)0.0156 (11)0.0106 (12)
C590.0354 (12)0.0418 (14)0.0354 (13)0.0101 (11)0.0122 (11)0.0075 (11)
C600.0459 (15)0.0639 (18)0.0391 (15)0.0193 (13)0.0163 (13)0.0166 (13)
C610.0563 (17)0.089 (2)0.0421 (17)0.0271 (17)0.0241 (15)0.0210 (17)
C620.0629 (19)0.087 (2)0.0496 (18)0.0402 (18)0.0258 (16)0.0125 (17)
C630.077 (2)0.0623 (19)0.069 (2)0.0397 (17)0.0334 (19)0.0219 (17)
C640.0655 (18)0.0598 (18)0.0565 (19)0.0293 (15)0.0332 (16)0.0239 (15)
C650.190 (5)0.127 (4)0.137 (4)0.089 (4)0.110 (4)0.101 (3)
C660.056 (2)0.136 (4)0.104 (3)0.029 (2)0.007 (2)−0.004 (3)
C670.0474 (15)0.0443 (15)0.083 (2)0.0172 (13)0.0280 (16)0.0228 (15)
C680.0518 (18)0.061 (2)0.109 (3)0.0261 (16)0.038 (2)0.040 (2)
C690.0366 (15)0.067 (2)0.108 (3)0.0106 (15)0.0185 (18)0.039 (2)
C700.0437 (15)0.0491 (16)0.069 (2)0.0064 (13)0.0127 (15)0.0239 (16)
C710.0399 (13)0.0362 (13)0.0541 (17)0.0082 (11)0.0116 (13)0.0195 (13)
C720.0473 (17)0.058 (2)0.087 (3)−0.0051 (15)−0.0003 (18)0.0111 (19)
C730.063 (2)0.0474 (18)0.079 (3)−0.0002 (16)0.0062 (19)−0.0003 (17)
C740.0578 (17)0.0393 (15)0.0523 (18)0.0103 (13)0.0086 (15)0.0090 (14)
C750.0450 (13)0.0321 (12)0.0425 (15)0.0094 (11)0.0103 (12)0.0147 (11)
C760.081 (2)0.0403 (16)0.064 (2)0.0211 (16)0.0129 (19)0.0017 (15)
C770.078 (2)0.0513 (18)0.066 (2)0.0363 (17)0.0161 (19)0.0067 (16)
C780.0558 (17)0.0481 (16)0.062 (2)0.0275 (14)0.0067 (15)0.0092 (15)
Geometric parameters (Å, º) top
Nd1—O12.3986 (16)C20—C251.380 (4)
Nd1—O22.3879 (16)C21—H210.9300
Nd1—O52.4202 (17)C21—C221.380 (4)
Nd1—O62.3952 (17)C22—H220.9300
Nd1—O92.4197 (17)C22—C231.356 (5)
Nd1—O102.4065 (15)C23—H230.9300
Nd1—N42.6725 (19)C23—C241.374 (5)
Nd1—N52.6579 (19)C24—H240.9300
Nd2—O132.4291 (17)C24—C251.390 (4)
Nd2—O142.4014 (15)C25—H250.9300
Nd2—O172.4063 (17)C26—H26A0.9600
Nd2—O182.3705 (17)C26—H26B0.9600
Nd2—O212.4282 (17)C26—H26C0.9600
Nd2—O222.3931 (16)C27—H27A0.9600
Nd2—N92.665 (2)C27—H27B0.9600
Nd2—N102.669 (2)C27—H27C0.9600
P1—O11.4907 (17)C28—H280.9300
P1—O31.571 (2)C28—C291.384 (4)
P1—O41.5754 (18)C29—H290.9300
P1—N11.610 (2)C29—C301.355 (4)
P2—O51.4814 (17)C30—H300.9300
P2—O71.5771 (19)C30—C311.405 (4)
P2—O81.565 (2)C31—C321.413 (3)
P2—N21.604 (2)C31—C331.435 (4)
P3—O91.4847 (16)C32—C361.438 (3)
P3—O111.5786 (19)C33—H330.9300
P3—O121.567 (2)C33—C341.324 (4)
P3—N31.609 (2)C34—H340.9300
P4—O131.4835 (17)C34—C351.433 (4)
P4—O151.572 (2)C35—C361.406 (3)
P4—O161.566 (2)C35—C371.405 (4)
P4—N61.613 (2)C37—H370.9300
P5—O171.4897 (18)C37—C381.356 (4)
P5—O191.570 (2)C38—H380.9300
P5—O201.5730 (19)C38—C391.392 (4)
P5—N71.604 (2)C39—H390.9300
P6—O211.4804 (17)C40—C411.493 (3)
P6—O231.574 (2)C41—C421.384 (3)
P6—O241.568 (2)C41—C461.373 (4)
P6—N81.604 (2)C42—H420.9300
O2—C11.252 (3)C42—C431.383 (4)
O3—C81.425 (4)C43—H430.9300
O4—C91.428 (3)C43—C441.351 (5)
O6—C101.258 (3)C44—H440.9300
O7—C171.460 (3)C44—C451.381 (5)
O8—C181.399 (4)C45—H450.9300
O10—C191.267 (2)C45—C461.392 (5)
O11—C261.441 (4)C46—H460.9300
O12—C271.426 (4)C47—H47A0.9600
O14—C401.268 (3)C47—H47B0.9600
O15—C471.403 (4)C47—H47C0.9600
O16—C481.424 (4)C48—H48A0.9600
O18—C491.254 (3)C48—H48B0.9600
O19—C561.420 (4)C48—H48C0.9600
O20—C571.436 (4)C49—C501.490 (3)
O22—C581.253 (3)C50—C511.382 (4)
O23—C651.433 (4)C50—C551.376 (4)
O24—C661.452 (4)C51—H510.9300
N1—C11.316 (3)C51—C521.393 (5)
N2—C101.316 (3)C52—H520.9300
N3—C191.316 (3)C52—C531.344 (5)
N4—C361.358 (3)C53—H530.9300
N4—C391.321 (3)C53—C541.362 (5)
N5—C281.331 (3)C54—H540.9300
N5—C321.360 (3)C54—C551.382 (4)
N6—C401.315 (3)C55—H550.9300
N7—C491.315 (3)C56—H56A0.9600
N8—C581.308 (3)C56—H56B0.9600
N9—C671.326 (3)C56—H56C0.9600
N9—C711.355 (3)C57—H57A0.9600
N10—C751.359 (3)C57—H57B0.9600
N10—C781.319 (3)C57—H57C0.9600
C1—C21.493 (3)C58—C591.508 (3)
C2—C31.385 (3)C59—C601.383 (3)
C2—C71.384 (4)C59—C641.370 (4)
C3—H30.9300C60—H600.9300
C3—C41.391 (4)C60—C611.393 (4)
C4—H40.9300C61—H610.9300
C4—C51.354 (5)C61—C621.362 (4)
C5—H50.9300C62—H620.9300
C5—C61.377 (5)C62—C631.366 (4)
C6—H60.9300C63—H630.9300
C6—C71.385 (4)C63—C641.394 (4)
C7—H70.9300C64—H640.9300
C8—H8A0.9600C65—H65A0.9600
C8—H8B0.9600C65—H65B0.9600
C8—H8C0.9600C65—H65C0.9600
C9—H9A0.9600C66—H66A0.9600
C9—H9B0.9600C66—H66B0.9600
C9—H9C0.9600C66—H66C0.9600
C10—C111.510 (3)C67—H670.9300
C11—C121.384 (3)C67—C681.394 (4)
C11—C161.380 (3)C68—H680.9300
C12—H120.9300C68—C691.346 (5)
C12—C131.396 (3)C69—H690.9300
C13—H130.9300C69—C701.397 (4)
C13—C141.374 (4)C70—C711.408 (4)
C14—H140.9300C70—C721.445 (4)
C14—C151.360 (4)C71—C751.438 (3)
C15—H150.9300C72—H720.9300
C15—C161.390 (3)C72—C731.337 (5)
C16—H160.9300C73—H730.9300
C17—H17A0.9600C73—C741.425 (4)
C17—H17B0.9600C74—C751.406 (3)
C17—H17C0.9600C74—C761.402 (4)
C18—H18A0.9600C76—H760.9300
C18—H18B0.9600C76—C771.349 (4)
C18—H18C0.9600C77—H770.9300
C19—C201.496 (3)C77—C781.398 (4)
C20—C211.386 (3)C78—H780.9300
O1—Nd1—O5105.89 (7)N3—C19—C20116.0 (2)
O1—Nd1—O995.87 (6)C21—C20—C19121.7 (2)
O1—Nd1—O1074.75 (6)C25—C20—C19120.1 (2)
O1—Nd1—N4154.43 (6)C25—C20—C21118.3 (3)
O1—Nd1—N5141.74 (6)C20—C21—H21119.4
O2—Nd1—O172.41 (6)C22—C21—C20121.3 (3)
O2—Nd1—O5145.25 (6)C22—C21—H21119.4
O2—Nd1—O674.64 (7)C21—C22—H22120.1
O2—Nd1—O974.16 (6)C23—C22—C21119.8 (3)
O2—Nd1—O10130.12 (6)C23—C22—H22120.1
O2—Nd1—N4122.25 (6)C22—C23—H23119.8
O2—Nd1—N571.56 (6)C22—C23—C24120.4 (3)
O5—Nd1—N474.38 (6)C24—C23—H23119.8
O5—Nd1—N596.51 (7)C23—C24—H24120.0
O6—Nd1—O180.63 (7)C23—C24—C25120.1 (3)
O6—Nd1—O570.92 (6)C25—C24—H24120.0
O6—Nd1—O9148.15 (6)C20—C25—C24120.2 (3)
O6—Nd1—O10134.46 (7)C20—C25—H25119.9
O6—Nd1—N4121.96 (6)C24—C25—H25119.9
O6—Nd1—N577.92 (7)O11—C26—H26A109.5
O9—Nd1—O5139.08 (6)O11—C26—H26B109.5
O9—Nd1—N471.37 (6)O11—C26—H26C109.5
O9—Nd1—N586.35 (6)H26A—C26—H26B109.5
O10—Nd1—O579.75 (6)H26A—C26—H26C109.5
O10—Nd1—O973.04 (6)H26B—C26—H26C109.5
O10—Nd1—N480.25 (6)O12—C27—H27A109.5
O10—Nd1—N5140.82 (6)O12—C27—H27B109.5
N5—Nd1—N461.46 (6)O12—C27—H27C109.5
O13—Nd2—N984.61 (6)H27A—C27—H27B109.5
O13—Nd2—N1071.48 (6)H27A—C27—H27C109.5
O14—Nd2—O1373.51 (6)H27B—C27—H27C109.5
O14—Nd2—O1774.69 (6)N5—C28—H28118.1
O14—Nd2—O2179.65 (6)N5—C28—C29123.8 (3)
O14—Nd2—N9140.86 (6)C29—C28—H28118.1
O14—Nd2—N1080.91 (6)C28—C29—H29120.5
O17—Nd2—O13100.04 (6)C30—C29—C28119.1 (3)
O17—Nd2—O21102.53 (7)C30—C29—H29120.5
O17—Nd2—N9142.29 (6)C29—C30—H30119.9
O17—Nd2—N10155.58 (6)C29—C30—C31120.2 (3)
O18—Nd2—O1374.25 (6)C31—C30—H30119.9
O18—Nd2—O14128.24 (6)C30—C31—C32117.0 (3)
O18—Nd2—O1772.40 (6)C30—C31—C33123.9 (3)
O18—Nd2—O21145.98 (6)C32—C31—C33119.1 (2)
O18—Nd2—O2274.53 (7)N5—C32—C31122.5 (2)
O18—Nd2—N973.04 (6)N5—C32—C36118.4 (2)
O18—Nd2—N10124.25 (6)C31—C32—C36119.2 (2)
O21—Nd2—O13138.63 (6)C31—C33—H33119.2
O21—Nd2—N997.66 (6)C34—C33—C31121.5 (3)
O21—Nd2—N1073.68 (6)C34—C33—H33119.2
O22—Nd2—O13147.55 (7)C33—C34—H34119.3
O22—Nd2—O14134.97 (7)C33—C34—C35121.3 (3)
O22—Nd2—O1778.67 (7)C35—C34—H34119.3
O22—Nd2—O2171.51 (6)C36—C35—C34119.4 (2)
O22—Nd2—N978.03 (8)C37—C35—C34123.4 (3)
O22—Nd2—N10120.99 (7)C37—C35—C36117.1 (3)
N9—Nd2—N1061.26 (6)N4—C36—C32118.1 (2)
O1—P1—O3112.66 (12)N4—C36—C35122.4 (2)
O1—P1—O4109.62 (10)C35—C36—C32119.5 (2)
O1—P1—N1118.72 (11)C35—C37—H37119.9
O3—P1—O4100.68 (11)C38—C37—C35120.1 (3)
O3—P1—N1106.13 (12)C38—C37—H37119.9
O4—P1—N1107.41 (11)C37—C38—H38120.7
O5—P2—O7111.66 (12)C37—C38—C39118.6 (3)
O5—P2—O8106.29 (11)C39—C38—H38120.7
O5—P2—N2120.50 (11)N4—C39—C38123.8 (3)
O7—P2—N2102.81 (11)N4—C39—H39118.1
O8—P2—O7104.54 (12)C38—C39—H39118.1
O8—P2—N2110.00 (12)O14—C40—N6126.2 (2)
O9—P3—O11110.11 (10)O14—C40—C41117.4 (2)
O9—P3—O12113.09 (11)N6—C40—C41116.3 (2)
O9—P3—N3118.33 (11)C42—C41—C40121.3 (3)
O11—P3—N3107.04 (11)C46—C41—C40119.8 (2)
O12—P3—O11101.09 (12)C46—C41—C42118.9 (3)
O12—P3—N3105.63 (12)C41—C42—H42119.7
O13—P4—O15111.05 (11)C43—C42—C41120.7 (3)
O13—P4—O16108.68 (12)C43—C42—H42119.7
O13—P4—N6118.23 (11)C42—C43—H43120.0
O15—P4—N6106.37 (12)C44—C43—C42120.0 (3)
O16—P4—O15101.28 (13)C44—C43—H43120.0
O16—P4—N6109.91 (12)C43—C44—H44119.7
O17—P5—O19112.78 (12)C43—C44—C45120.6 (4)
O17—P5—O20110.18 (11)C45—C44—H44119.7
O17—P5—N7119.02 (11)C44—C45—H45120.3
O19—P5—O20100.54 (12)C44—C45—C46119.3 (4)
O19—P5—N7105.20 (13)C46—C45—H45120.3
O20—P5—N7107.40 (12)C41—C46—C45120.5 (3)
O21—P6—O23108.90 (12)C41—C46—H46119.8
O21—P6—O24111.59 (12)C45—C46—H46119.8
O21—P6—N8119.17 (11)O15—C47—H47A109.5
O23—P6—N8107.56 (12)O15—C47—H47B109.5
O24—P6—O23100.34 (13)O15—C47—H47C109.5
O24—P6—N8107.58 (12)H47A—C47—H47B109.5
P1—O1—Nd1130.79 (10)H47A—C47—H47C109.5
C1—O2—Nd1141.14 (15)H47B—C47—H47C109.5
C8—O3—P1120.0 (2)O16—C48—H48A109.5
C9—O4—P1119.33 (19)O16—C48—H48B109.5
P2—O5—Nd1134.60 (10)O16—C48—H48C109.5
C10—O6—Nd1144.24 (16)H48A—C48—H48B109.5
C17—O7—P2119.52 (18)H48A—C48—H48C109.5
C18—O8—P2122.5 (2)H48B—C48—H48C109.5
P3—O9—Nd1131.27 (10)O18—C49—N7126.7 (2)
C19—O10—Nd1131.91 (14)O18—C49—C50115.5 (2)
C26—O11—P3118.2 (2)N7—C49—C50117.8 (2)
C27—O12—P3121.0 (2)C51—C50—C49122.8 (3)
P4—O13—Nd2129.42 (11)C55—C50—C49119.2 (2)
C40—O14—Nd2132.16 (15)C55—C50—C51118.0 (3)
C47—O15—P4119.7 (2)C50—C51—H51120.0
C48—O16—P4122.4 (2)C50—C51—C52120.0 (3)
P5—O17—Nd2131.76 (10)C52—C51—H51120.0
C49—O18—Nd2142.25 (16)C51—C52—H52119.6
C56—O19—P5120.6 (2)C53—C52—C51120.9 (3)
C57—O20—P5119.3 (2)C53—C52—H52119.6
P6—O21—Nd2134.70 (10)C52—C53—H53120.0
C58—O22—Nd2143.54 (17)C52—C53—C54120.0 (3)
C65—O23—P6120.8 (2)C54—C53—H53120.0
C66—O24—P6117.5 (2)C53—C54—H54120.0
C1—N1—P1120.83 (17)C53—C54—C55120.0 (3)
C10—N2—P2122.01 (17)C55—C54—H54120.0
C19—N3—P3121.89 (17)C50—C55—C54121.1 (3)
C36—N4—Nd1119.87 (14)C50—C55—H55119.4
C39—N4—Nd1121.42 (16)C54—C55—H55119.4
C39—N4—C36117.8 (2)O19—C56—H56A109.5
C28—N5—Nd1121.43 (17)O19—C56—H56B109.5
C28—N5—C32117.5 (2)O19—C56—H56C109.5
C32—N5—Nd1120.09 (14)H56A—C56—H56B109.5
C40—N6—P4121.49 (18)H56A—C56—H56C109.5
C49—N7—P5122.03 (18)H56B—C56—H56C109.5
C58—N8—P6123.71 (18)O20—C57—H57A109.5
C67—N9—Nd2121.28 (18)O20—C57—H57B109.5
C67—N9—C71118.0 (2)O20—C57—H57C109.5
C71—N9—Nd2120.03 (15)H57A—C57—H57B109.5
C75—N10—Nd2119.96 (15)H57A—C57—H57C109.5
C78—N10—Nd2121.64 (18)H57B—C57—H57C109.5
C78—N10—C75117.5 (2)O22—C58—N8127.1 (2)
O2—C1—N1126.8 (2)O22—C58—C59115.2 (2)
O2—C1—C2115.3 (2)N8—C58—C59117.7 (2)
N1—C1—C2117.9 (2)C60—C59—C58120.9 (2)
C3—C2—C1121.9 (2)C64—C59—C58119.6 (2)
C7—C2—C1119.8 (2)C64—C59—C60119.5 (2)
C7—C2—C3118.3 (3)C59—C60—H60120.3
C2—C3—H3119.9C59—C60—C61119.5 (3)
C2—C3—C4120.3 (3)C61—C60—H60120.3
C4—C3—H3119.9C60—C61—H61119.9
C3—C4—H4119.7C62—C61—C60120.3 (3)
C5—C4—C3120.7 (3)C62—C61—H61119.9
C5—C4—H4119.7C61—C62—H62119.7
C4—C5—H5120.0C61—C62—C63120.7 (3)
C4—C5—C6120.0 (3)C63—C62—H62119.7
C6—C5—H5120.0C62—C63—H63120.3
C5—C6—H6120.1C62—C63—C64119.4 (3)
C5—C6—C7119.8 (3)C64—C63—H63120.3
C7—C6—H6120.1C59—C64—C63120.6 (3)
C2—C7—C6120.9 (3)C59—C64—H64119.7
C2—C7—H7119.6C63—C64—H64119.7
C6—C7—H7119.6O23—C65—H65A109.5
O3—C8—H8A109.5O23—C65—H65B109.5
O3—C8—H8B109.5O23—C65—H65C109.5
O3—C8—H8C109.5H65A—C65—H65B109.5
H8A—C8—H8B109.5H65A—C65—H65C109.5
H8A—C8—H8C109.5H65B—C65—H65C109.5
H8B—C8—H8C109.5O24—C66—H66A109.5
O4—C9—H9A109.5O24—C66—H66B109.5
O4—C9—H9B109.5O24—C66—H66C109.5
O4—C9—H9C109.5H66A—C66—H66B109.5
H9A—C9—H9B109.5H66A—C66—H66C109.5
H9A—C9—H9C109.5H66B—C66—H66C109.5
H9B—C9—H9C109.5N9—C67—H67118.4
O6—C10—N2126.9 (2)N9—C67—C68123.3 (3)
O6—C10—C11115.1 (2)C68—C67—H67118.4
N2—C10—C11117.9 (2)C67—C68—H68120.5
C12—C11—C10121.2 (2)C69—C68—C67119.0 (3)
C16—C11—C10119.0 (2)C69—C68—H68120.5
C16—C11—C12119.8 (2)C68—C69—H69119.9
C11—C12—H12120.2C68—C69—C70120.2 (3)
C11—C12—C13119.6 (3)C70—C69—H69119.9
C13—C12—H12120.2C69—C70—C71117.5 (3)
C12—C13—H13119.9C69—C70—C72123.9 (3)
C14—C13—C12120.1 (2)C71—C70—C72118.5 (3)
C14—C13—H13119.9N9—C71—C70122.0 (2)
C13—C14—H14120.0N9—C71—C75118.3 (2)
C15—C14—C13120.0 (2)C70—C71—C75119.6 (2)
C15—C14—H14120.0C70—C72—H72119.2
C14—C15—H15119.6C73—C72—C70121.6 (3)
C14—C15—C16120.8 (3)C73—C72—H72119.2
C16—C15—H15119.6C72—C73—H73119.5
C11—C16—C15119.6 (2)C72—C73—C74121.0 (3)
C11—C16—H16120.2C74—C73—H73119.5
C15—C16—H16120.2C75—C74—C73119.7 (3)
O7—C17—H17A109.5C76—C74—C73123.1 (3)
O7—C17—H17B109.5C76—C74—C75117.2 (3)
O7—C17—H17C109.5N10—C75—C71117.9 (2)
H17A—C17—H17B109.5N10—C75—C74122.5 (2)
H17A—C17—H17C109.5C74—C75—C71119.5 (2)
H17B—C17—H17C109.5C74—C76—H76119.9
O8—C18—H18A109.5C77—C76—C74120.2 (3)
O8—C18—H18B109.5C77—C76—H76119.9
O8—C18—H18C109.5C76—C77—H77120.7
H18A—C18—H18B109.5C76—C77—C78118.7 (3)
H18A—C18—H18C109.5C78—C77—H77120.7
H18B—C18—H18C109.5N10—C78—C77123.8 (3)
O10—C19—N3126.9 (2)N10—C78—H78118.1
O10—C19—C20117.1 (2)C77—C78—H78118.1
Nd1—O2—C1—N125.5 (4)O21—P6—O24—C66−62.5 (3)
Nd1—O2—C1—C2−154.29 (19)O21—P6—N8—C58−1.7 (3)
Nd1—O6—C10—N2−8.2 (5)O22—Nd2—O13—P4−152.75 (14)
Nd1—O6—C10—C11170.5 (2)O22—Nd2—O14—C40121.1 (2)
Nd1—O10—C19—N348.2 (3)O22—Nd2—O17—P565.20 (15)
Nd1—O10—C19—C20−131.51 (18)O22—Nd2—O18—C49−96.4 (3)
Nd1—N4—C36—C3211.1 (3)O22—Nd2—O21—P64.99 (16)
Nd1—N4—C36—C35−168.95 (19)O22—Nd2—N9—C67−41.0 (2)
Nd1—N4—C39—C38169.5 (2)O22—Nd2—N9—C71148.9 (2)
Nd1—N5—C28—C29−169.0 (2)O22—Nd2—N10—C75−65.7 (2)
Nd1—N5—C32—C31168.07 (18)O22—Nd2—N10—C78125.2 (2)
Nd1—N5—C32—C36−12.3 (3)O22—C58—C59—C60−160.5 (3)
Nd2—O14—C40—N646.4 (3)O22—C58—C59—C6417.4 (4)
Nd2—O14—C40—C41−133.99 (19)O23—P6—O21—Nd2−127.79 (15)
Nd2—O18—C49—N721.5 (4)O23—P6—O24—C66−177.7 (2)
Nd2—O18—C49—C50−158.51 (19)O23—P6—N8—C58122.7 (2)
Nd2—O22—C58—N80.4 (5)O24—P6—O21—Nd2122.37 (16)
Nd2—O22—C58—C59179.9 (2)O24—P6—O23—C65−64.9 (3)
Nd2—N9—C67—C68−170.4 (2)O24—P6—N8—C58−130.0 (2)
Nd2—N9—C71—C70168.9 (2)N1—P1—O1—Nd134.00 (18)
Nd2—N9—C71—C75−12.9 (3)N1—P1—O3—C8−173.4 (3)
Nd2—N10—C75—C7112.5 (3)N1—P1—O4—C979.0 (2)
Nd2—N10—C75—C74−167.80 (19)N1—C1—C2—C321.5 (3)
Nd2—N10—C78—C77169.3 (2)N1—C1—C2—C7−158.7 (2)
P1—N1—C1—O20.1 (4)N2—P2—O5—Nd13.5 (2)
P1—N1—C1—C2179.85 (16)N2—P2—O7—C17−179.5 (3)
P2—N2—C10—O6−2.2 (4)N2—P2—O8—C18−56.7 (3)
P2—N2—C10—C11179.21 (17)N2—C10—C11—C1211.8 (3)
P3—N3—C19—O10−5.7 (4)N2—C10—C11—C16−170.1 (2)
P3—N3—C19—C20173.98 (17)N3—P3—O9—Nd119.29 (19)
P4—N6—C40—O14−0.4 (4)N3—P3—O11—C2675.2 (2)
P4—N6—C40—C41−179.96 (17)N3—P3—O12—C27179.0 (2)
P5—N7—C49—O18−1.2 (4)N3—C19—C20—C2118.6 (3)
P5—N7—C49—C50178.82 (17)N3—C19—C20—C25−161.0 (3)
P6—N8—C58—O223.7 (4)N4—Nd1—O1—P1−143.87 (13)
P6—N8—C58—C59−175.78 (18)N4—Nd1—O2—C1140.1 (3)
O1—Nd1—O2—C1−16.6 (3)N4—Nd1—O5—P2125.84 (18)
O1—Nd1—O5—P2−80.75 (18)N4—Nd1—O6—C10−45.9 (3)
O1—Nd1—O6—C10121.1 (3)N4—Nd1—O9—P390.03 (15)
O1—Nd1—O9—P3−67.22 (14)N4—Nd1—O10—C19−113.3 (2)
O1—Nd1—O10—C1961.2 (2)N4—Nd1—N5—C28−179.3 (2)
O1—Nd1—N4—C36147.36 (16)N4—Nd1—N5—C3212.15 (16)
O1—Nd1—N4—C39−21.6 (3)N5—Nd1—O1—P15.7 (2)
O1—Nd1—N5—C2815.0 (3)N5—Nd1—O2—C1176.4 (3)
O1—Nd1—N5—C32−153.46 (16)N5—Nd1—O5—P267.92 (18)
O1—P1—O3—C8−41.9 (3)N5—Nd1—O6—C10−90.8 (3)
O1—P1—O4—C9−51.3 (2)N5—Nd1—O9—P3151.11 (14)
O1—P1—N1—C1−27.1 (2)N5—Nd1—O10—C19−101.3 (2)
O2—Nd1—O1—P1−14.50 (13)N5—Nd1—N4—C36−11.76 (16)
O2—Nd1—O5—P21.1 (3)N5—Nd1—N4—C39179.3 (2)
O2—Nd1—O6—C10−164.7 (3)N5—C28—C29—C301.0 (5)
O2—Nd1—O9—P3−137.04 (15)N5—C32—C36—N40.7 (3)
O2—Nd1—O10—C1911.0 (2)N5—C32—C36—C35−179.3 (2)
O2—Nd1—N4—C3627.97 (19)N6—P4—O13—Nd225.1 (2)
O2—Nd1—N4—C39−141.00 (18)N6—P4—O15—C4778.6 (3)
O2—Nd1—N5—C2835.4 (2)N6—P4—O16—C4826.4 (3)
O2—Nd1—N5—C32−133.11 (19)N6—C40—C41—C4224.0 (4)
O2—C1—C2—C3−158.7 (2)N6—C40—C41—C46−155.4 (3)
O2—C1—C2—C721.1 (3)N7—P5—O17—Nd227.0 (2)
O3—P1—O1—Nd1−90.89 (16)N7—P5—O19—C56−174.2 (3)
O3—P1—O4—C9−170.2 (2)N7—P5—O20—C5776.7 (3)
O3—P1—N1—C1100.9 (2)N7—C49—C50—C5118.0 (4)
O4—P1—O1—Nd1157.89 (12)N7—C49—C50—C55−160.6 (2)
O4—P1—O3—C874.8 (3)N8—P6—O21—Nd2−4.0 (2)
O4—P1—N1—C1−152.10 (19)N8—P6—O23—C6547.4 (3)
O5—Nd1—O1—P1129.20 (13)N8—P6—O24—C6670.0 (2)
O5—Nd1—O2—C1−109.3 (3)N8—C58—C59—C6019.1 (4)
O5—Nd1—O6—C1010.6 (3)N8—C58—C59—C64−163.1 (3)
O5—Nd1—O9—P355.38 (18)N9—Nd2—O13—P4149.69 (15)
O5—Nd1—O10—C19170.9 (2)N9—Nd2—O14—C40−99.1 (2)
O5—Nd1—N4—C36−118.38 (17)N9—Nd2—O17—P512.4 (2)
O5—Nd1—N4—C3972.65 (19)N9—Nd2—O18—C49−178.3 (3)
O5—Nd1—N5—C28−111.1 (2)N9—Nd2—O21—P679.59 (17)
O5—Nd1—N5—C3280.41 (18)N9—Nd2—O22—C58−106.2 (3)
O5—P2—O7—C17−48.9 (3)N9—Nd2—N10—C75−12.93 (17)
O5—P2—O8—C18171.3 (3)N9—Nd2—N10—C78178.0 (2)
O5—P2—N2—C103.6 (3)N9—C67—C68—C691.4 (5)
O6—Nd1—O1—P162.24 (14)N9—C71—C75—N100.3 (4)
O6—Nd1—O2—C1−101.5 (3)N9—C71—C75—C74−179.5 (2)
O6—Nd1—O5—P2−6.86 (16)N10—Nd2—O13—P488.23 (15)
O6—Nd1—O9—P3−148.91 (13)N10—Nd2—O14—C40−113.6 (2)
O6—Nd1—O10—C19120.9 (2)N10—Nd2—O17—P5−148.81 (14)
O6—Nd1—N4—C36−63.43 (19)N10—Nd2—O18—C49146.4 (3)
O6—Nd1—N4—C39127.60 (19)N10—Nd2—O21—P6136.57 (17)
O6—Nd1—N5—C28−42.2 (2)N10—Nd2—O22—C58−60.6 (4)
O6—Nd1—N5—C32149.26 (18)N10—Nd2—N9—C67−176.8 (2)
O6—C10—C11—C12−166.9 (2)N10—Nd2—N9—C7113.10 (17)
O6—C10—C11—C1611.2 (3)C1—C2—C3—C4178.7 (2)
O7—P2—O5—Nd1−117.25 (16)C1—C2—C7—C6−179.5 (2)
O7—P2—O8—C1853.1 (3)C2—C3—C4—C51.1 (5)
O7—P2—N2—C10128.5 (2)C3—C2—C7—C60.3 (4)
O8—P2—O5—Nd1129.33 (17)C3—C4—C5—C60.0 (5)
O8—P2—O7—C1765.6 (3)C4—C5—C6—C7−0.8 (5)
O8—P2—N2—C10−120.6 (2)C5—C6—C7—C20.6 (4)
O9—Nd1—O1—P1−85.80 (14)C7—C2—C3—C4−1.2 (4)
O9—Nd1—O2—C185.0 (3)C10—C11—C12—C13177.0 (2)
O9—Nd1—O5—P2159.86 (13)C10—C11—C16—C15−178.5 (2)
O9—Nd1—O6—C10−152.8 (3)C11—C12—C13—C141.1 (4)
O9—Nd1—O10—C19−40.0 (2)C12—C11—C16—C15−0.3 (4)
O9—Nd1—N4—C3684.37 (17)C12—C13—C14—C150.4 (5)
O9—Nd1—N4—C39−84.60 (19)C13—C14—C15—C16−1.9 (5)
O9—Nd1—N5—C28109.9 (2)C14—C15—C16—C111.8 (5)
O9—Nd1—N5—C32−58.60 (18)C16—C11—C12—C13−1.1 (4)
O9—P3—O11—C26−54.7 (2)C19—C20—C21—C22−179.5 (3)
O9—P3—O12—C27−50.1 (3)C19—C20—C25—C24179.0 (3)
O9—P3—N3—C19−26.4 (3)C20—C21—C22—C230.1 (5)
O10—Nd1—O1—P1−156.42 (15)C21—C20—C25—C24−0.6 (5)
O10—Nd1—O2—C134.5 (3)C21—C22—C23—C240.2 (5)
O10—Nd1—O5—P2−151.52 (18)C22—C23—C24—C25−0.7 (6)
O10—Nd1—O6—C1063.5 (3)C23—C24—C25—C200.9 (6)
O10—Nd1—O9—P34.85 (13)C25—C20—C21—C220.1 (4)
O10—Nd1—N4—C36159.64 (17)C28—N5—C32—C31−0.9 (4)
O10—Nd1—N4—C39−9.34 (19)C28—N5—C32—C36178.8 (2)
O10—Nd1—N5—C28167.16 (18)C28—C29—C30—C31−0.6 (5)
O10—Nd1—N5—C32−1.3 (2)C29—C30—C31—C32−0.4 (4)
O10—C19—C20—C21−161.7 (2)C29—C30—C31—C33−179.0 (3)
O10—C19—C20—C2518.7 (3)C30—C31—C32—N51.2 (4)
O11—P3—O9—Nd1142.79 (13)C30—C31—C32—C36−178.5 (2)
O11—P3—O12—C2767.6 (2)C30—C31—C33—C34177.8 (3)
O11—P3—N3—C19−151.4 (2)C31—C32—C36—N4−179.6 (2)
O12—P3—O9—Nd1−104.95 (15)C31—C32—C36—C350.4 (4)
O12—P3—O11—C26−174.5 (2)C31—C33—C34—C350.7 (5)
O12—P3—N3—C19101.5 (2)C32—N5—C28—C29−0.2 (4)
O13—Nd2—O14—C40−40.3 (2)C32—C31—C33—C34−0.7 (5)
O13—Nd2—O17—P5−81.78 (15)C33—C31—C32—N5179.8 (2)
O13—Nd2—O18—C4992.6 (3)C33—C31—C32—C360.2 (4)
O13—Nd2—O21—P6170.12 (13)C33—C34—C35—C36−0.1 (5)
O13—Nd2—O22—C58−165.3 (3)C33—C34—C35—C37179.4 (3)
O13—Nd2—N9—C67111.4 (2)C34—C35—C36—N4179.5 (2)
O13—Nd2—N9—C71−58.71 (19)C34—C35—C36—C32−0.5 (4)
O13—Nd2—N10—C7581.13 (18)C34—C35—C37—C38179.3 (3)
O13—Nd2—N10—C78−87.9 (2)C35—C37—C38—C391.9 (5)
O13—P4—O15—C47−51.3 (3)C36—N4—C39—C380.3 (4)
O13—P4—O16—C48157.2 (3)C36—C35—C37—C38−1.2 (4)
O13—P4—N6—C40−33.8 (3)C37—C35—C36—N40.1 (4)
O14—Nd2—O13—P42.51 (14)C37—C35—C36—C32−179.9 (2)
O14—Nd2—O17—P5−151.46 (16)C37—C38—C39—N4−1.4 (4)
O14—Nd2—O18—C4939.3 (3)C39—N4—C36—C32−179.6 (2)
O14—Nd2—O21—P6−139.97 (17)C39—N4—C36—C350.4 (4)
O14—Nd2—O22—C5849.2 (4)C40—C41—C42—C43−179.7 (3)
O14—Nd2—N9—C67166.80 (19)C40—C41—C46—C45179.2 (3)
O14—Nd2—N9—C71−3.3 (2)C41—C42—C43—C440.0 (5)
O14—Nd2—N10—C75156.68 (18)C42—C41—C46—C45−0.2 (5)
O14—Nd2—N10—C78−12.4 (2)C42—C43—C44—C450.8 (6)
O14—C40—C41—C42−155.6 (2)C43—C44—C45—C46−1.3 (6)
O14—C40—C41—C4625.0 (4)C44—C45—C46—C411.0 (6)
O15—P4—O13—Nd2148.39 (14)C46—C41—C42—C43−0.3 (4)
O15—P4—O16—C48−85.8 (3)C49—C50—C51—C52179.2 (3)
O15—P4—N6—C40−159.4 (2)C49—C50—C55—C54179.9 (3)
O16—P4—O13—Nd2−101.05 (16)C50—C51—C52—C531.2 (5)
O16—P4—O15—C47−166.6 (3)C51—C50—C55—C541.2 (4)
O16—P4—N6—C4091.7 (2)C51—C52—C53—C540.8 (6)
O17—Nd2—O13—P4−68.10 (15)C52—C53—C54—C55−1.8 (5)
O17—Nd2—O14—C4065.3 (2)C53—C54—C55—C500.8 (5)
O17—Nd2—O18—C49−13.6 (3)C55—C50—C51—C52−2.2 (4)
O17—Nd2—O21—P6−68.36 (17)C58—C59—C60—C61175.6 (2)
O17—Nd2—O22—C58103.7 (3)C58—C59—C64—C63−177.8 (3)
O17—Nd2—N9—C6711.9 (3)C59—C60—C61—C622.3 (4)
O17—Nd2—N9—C71−158.17 (17)C60—C59—C64—C630.0 (4)
O17—Nd2—N10—C75154.09 (17)C60—C61—C62—C63−0.1 (5)
O17—Nd2—N10—C78−15.0 (3)C61—C62—C63—C64−2.1 (5)
O17—P5—O19—C56−43.0 (3)C62—C63—C64—C592.2 (5)
O17—P5—O20—C57−54.3 (3)C64—C59—C60—C61−2.2 (4)
O17—P5—N7—C49−20.6 (3)C67—N9—C71—C70−1.5 (4)
O18—Nd2—O13—P4−136.44 (16)C67—N9—C71—C75176.7 (2)
O18—Nd2—O14—C4013.2 (2)C67—C68—C69—C70−1.0 (5)
O18—Nd2—O17—P5−11.98 (14)C68—C69—C70—C71−0.6 (5)
O18—Nd2—O21—P68.7 (2)C68—C69—C70—C72−179.7 (3)
O18—Nd2—O22—C58178.4 (3)C69—C70—C71—N91.9 (4)
O18—Nd2—N9—C6736.2 (2)C69—C70—C71—C75−176.3 (3)
O18—Nd2—N9—C71−133.9 (2)C69—C70—C72—C73176.7 (3)
O18—Nd2—N10—C7526.2 (2)C70—C71—C75—N10178.5 (2)
O18—Nd2—N10—C78−142.9 (2)C70—C71—C75—C74−1.2 (4)
O18—C49—C50—C51−161.9 (2)C70—C72—C73—C740.1 (6)
O18—C49—C50—C5519.5 (3)C71—N9—C67—C68−0.1 (4)
O19—P5—O17—Nd2−96.89 (16)C71—C70—C72—C73−2.5 (5)
O19—P5—O20—C57−173.5 (3)C72—C70—C71—N9−178.9 (3)
O19—P5—N7—C49106.9 (2)C72—C70—C71—C752.9 (4)
O20—P5—O17—Nd2151.65 (14)C72—C73—C74—C751.6 (5)
O20—P5—O19—C5674.3 (3)C72—C73—C74—C76−177.0 (3)
O20—P5—N7—C49−146.6 (2)C73—C74—C75—N10179.2 (3)
O21—Nd2—O13—P454.22 (19)C73—C74—C75—C71−1.1 (4)
O21—Nd2—O14—C40171.5 (2)C73—C74—C76—C77179.5 (3)
O21—Nd2—O17—P5133.12 (14)C74—C76—C77—C780.6 (5)
O21—Nd2—O18—C49−100.0 (3)C75—N10—C78—C77−0.1 (4)
O21—Nd2—O22—C58−3.8 (3)C75—C74—C76—C770.9 (5)
O21—Nd2—N9—C67−110.2 (2)C76—C74—C75—N10−2.1 (4)
O21—Nd2—N9—C7179.70 (19)C76—C74—C75—C71177.6 (3)
O21—Nd2—N10—C75−121.53 (19)C76—C77—C78—N10−1.1 (5)
O21—Nd2—N10—C7869.4 (2)C78—N10—C75—C71−178.0 (2)
O21—P6—O23—C65177.9 (3)C78—N10—C75—C741.7 (4)
references
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