[N,N-Diiso­propyl-2,2'-(2,3-naphthal­ene­dioxy)­diacet­amide]­trinitratoneodymium(III) acetone solvate

In the title compound, [Nd(NO₃)₃(C₂₆H₃₈N₂O₄)]·C₃H₆O, the Nd^III atom is coordinated by ten O atoms in a a distorted bicapped dodecahedral geometry. The Nd-O(carbonyl) bond distances [average 2.3817 (18) Å] are significantly shorter than other Nd-O bonds in the Nd^III complex.

Key indicators

• Single-crystal X-ray study
• T = 287 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.025
• wR factor = 0.056
• Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.66 Ratio

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.85 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.19 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd     -   O5      ..       8.92 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd     -   O6      ..       7.49 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd     -   O8      ..       8.25 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd     -   O11     ..       8.24 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O6
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O8
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O9
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O11
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Nd
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N3
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N4
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C16
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C28

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  17 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  16 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS; data reduction: SHELXTL (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

[N,N-diisopropyl-2,2'-(2,3-naphthalenedioxy)diacetamide]trinitratoneodymium(III) acetone solvate

Crystal data

[Nd(NO3)3(C26H38N2O4)]·C3H6O	F(000) = 1700
Mr = 830.93	Dx = 1.482 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 30 reflections
a = 13.457 (3) Å	θ = 4.7–12.2°
b = 19.807 (3) Å	µ = 1.46 mm^−1
c = 14.080 (3) Å	T = 287 K
β = 97.15 (2)°	Block, pale-purple
V = 3723.7 (12) Å^3	0.58 × 0.46 × 0.42 mm
Z = 4

Data collection

Siemens P4 diffractometer	5404 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tube	Rint = 0.016
Graphite monochromator	θmax = 25.3°, θmin = 1.8°
ω scans	h = 0→16
Absorption correction: ψ scan (SADABS; Sheldrick, 1996)	k = 0→23
Tmin = 0.435, Tmax = 0.540	l = −16→16
7518 measured reflections	3 standard reflections every 97 reflections
6734 independent reflections	intensity decay: 2.8%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.025	H-atom parameters constrained
wR(F^2) = 0.056	w = 1/[σ^2(Fo^2) + (0.0294P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.97	(Δ/σ)max = 0.002
6734 reflections	Δρmax = 0.35 e Å^−3
453 parameters	Δρmin = −0.32 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00345 (11)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Nd	0.395789 (11)	0.303044 (7)	0.540449 (10)	0.03369 (6)
O1	0.55720 (12)	0.31197 (9)	0.66076 (12)	0.0377 (4)
O2	0.38313 (13)	0.29505 (9)	0.70822 (13)	0.0410 (5)
O3	0.55107 (12)	0.38014 (9)	0.50346 (12)	0.0366 (4)
O4	0.38714 (14)	0.36292 (10)	0.39402 (13)	0.0467 (5)
O5	0.26059 (17)	0.21689 (11)	0.56687 (15)	0.0623 (6)
O6	0.27559 (16)	0.23988 (11)	0.42131 (14)	0.0584 (6)
O7	0.17584 (16)	0.15937 (11)	0.45425 (15)	0.0618 (6)
O8	0.47141 (19)	0.18772 (10)	0.57896 (17)	0.0656 (6)
O9	0.51816 (17)	0.23649 (12)	0.45636 (17)	0.0664 (6)
O10	0.5780 (2)	0.13853 (14)	0.4988 (2)	0.1042 (10)
O11	0.24026 (15)	0.37122 (11)	0.56090 (16)	0.0577 (6)
O12	0.37954 (14)	0.42396 (9)	0.59524 (15)	0.0500 (5)
O13	0.24213 (18)	0.47101 (11)	0.62629 (18)	0.0726 (7)
N1	0.42969 (16)	0.24286 (11)	0.84902 (15)	0.0389 (5)
N2	0.42773 (15)	0.42310 (10)	0.26867 (14)	0.0340 (5)
N3	0.23597 (17)	0.20361 (11)	0.48047 (17)	0.0430 (6)
N4	0.5253 (2)	0.18571 (14)	0.5114 (2)	0.0608 (8)
N5	0.28536 (19)	0.42332 (13)	0.59503 (18)	0.0481 (6)
C1	0.64734 (18)	0.34098 (12)	0.64477 (17)	0.0319 (6)
C2	0.73429 (19)	0.33444 (13)	0.70408 (18)	0.0364 (6)
H2	0.7367	0.3070	0.7579	0.044*
C3	0.82173 (19)	0.36929 (13)	0.68446 (18)	0.0347 (6)
C4	0.9133 (2)	0.36311 (15)	0.7441 (2)	0.0473 (7)
H4	0.9182	0.3339	0.7962	0.057*
C5	0.9947 (2)	0.39948 (17)	0.7260 (2)	0.0564 (8)
H5	1.0547	0.3952	0.7661	0.068*
C6	0.9886 (2)	0.44310 (16)	0.6481 (2)	0.0533 (8)
H6	1.0445	0.4679	0.6367	0.064*
C7	0.9018 (2)	0.44977 (14)	0.5886 (2)	0.0447 (7)
H7	0.8987	0.4795	0.5371	0.054*
C8	0.81632 (18)	0.41212 (13)	0.60402 (18)	0.0343 (6)
C9	0.72514 (19)	0.41588 (13)	0.54139 (18)	0.0348 (6)
H9	0.7215	0.4428	0.4869	0.042*
C10	0.64306 (18)	0.38050 (12)	0.56035 (17)	0.0306 (6)
C11	0.55763 (19)	0.27779 (14)	0.75074 (18)	0.0374 (6)
H11A	0.5953	0.3036	0.8016	0.045*
H11B	0.5881	0.2336	0.7481	0.045*
C12	0.44920 (19)	0.27115 (13)	0.76865 (18)	0.0327 (6)
C13	0.5076 (2)	0.20745 (14)	0.91391 (19)	0.0452 (7)
H13	0.5725	0.2218	0.8961	0.054*
C14	0.5006 (3)	0.13226 (17)	0.8979 (3)	0.0775 (11)
H14A	0.4373	0.1162	0.9134	0.093*
H14B	0.5538	0.1102	0.9380	0.093*
H14C	0.5063	0.1225	0.8320	0.093*
C15	0.5064 (3)	0.22713 (18)	1.0181 (2)	0.0616 (9)
H15A	0.5092	0.2754	1.0240	0.074*
H15B	0.5633	0.2076	1.0563	0.074*
H15C	0.4460	0.2108	1.0399	0.074*
C16	0.3238 (2)	0.2420 (2)	0.8727 (2)	0.0651 (10)
H16	0.3259	0.2186	0.9342	0.078*
C17	0.2542 (3)	0.2017 (2)	0.8024 (3)	0.1116 (18)
H17A	0.2413	0.2262	0.7433	0.134*
H17B	0.1923	0.1943	0.8281	0.134*
H17C	0.2845	0.1591	0.7911	0.134*
C18	0.2876 (3)	0.3132 (2)	0.8892 (3)	0.1083 (17)
H18A	0.2796	0.3374	0.8297	0.130*
H18B	0.3358	0.3359	0.9341	0.130*
H18C	0.2245	0.3112	0.9142	0.130*
C19	0.54856 (19)	0.41374 (13)	0.41356 (17)	0.0363 (6)
H19A	0.6026	0.3977	0.3798	0.044*
H19B	0.5562	0.4620	0.4232	0.044*
C20	0.4481 (2)	0.39827 (13)	0.35617 (18)	0.0349 (6)
C21	0.3288 (2)	0.40843 (15)	0.21223 (19)	0.0446 (7)
H21	0.3285	0.4314	0.1506	0.053*
C22	0.2426 (2)	0.4377 (2)	0.2589 (2)	0.0782 (12)
H22A	0.2364	0.4138	0.3171	0.094*
H22B	0.1816	0.4333	0.2161	0.094*
H22C	0.2553	0.4846	0.2730	0.094*
C23	0.3158 (3)	0.33380 (17)	0.1904 (2)	0.0716 (11)
H23A	0.3762	0.3163	0.1700	0.086*
H23B	0.2612	0.3275	0.1405	0.086*
H23C	0.3019	0.3104	0.2469	0.086*
C24	0.5005 (2)	0.46278 (14)	0.22131 (19)	0.0454 (7)
H24	0.5609	0.4681	0.2674	0.054*
C25	0.4610 (3)	0.53284 (16)	0.1952 (3)	0.0731 (11)
H25A	0.4045	0.5295	0.1466	0.088*
H25B	0.5126	0.5591	0.1716	0.088*
H25C	0.4408	0.5543	0.2509	0.088*
C26	0.5304 (3)	0.42503 (19)	0.1357 (2)	0.0744 (11)
H26A	0.5553	0.3812	0.1555	0.089*
H26B	0.5818	0.4498	0.1092	0.089*
H26C	0.4731	0.4202	0.0883	0.089*
O14	0.2142 (2)	−0.01998 (15)	0.5180 (2)	0.0991 (9)
C27	0.3526 (3)	0.0341 (2)	0.4677 (3)	0.1003 (15)
H27A	0.3115	0.0406	0.4076	0.120*
H27B	0.4029	0.0008	0.4603	0.120*
H27C	0.3843	0.0760	0.4880	0.120*
C28	0.2899 (3)	0.01101 (18)	0.5399 (3)	0.0738 (11)
C29	0.3227 (4)	0.0296 (3)	0.6388 (3)	0.135 (2)
H29A	0.3078	0.0764	0.6482	0.162*
H29B	0.3935	0.0224	0.6527	0.162*
H29C	0.2883	0.0023	0.6806	0.162*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Nd	0.03428 (9)	0.03812 (9)	0.02785 (8)	−0.00763 (7)	0.00069 (5)	0.00408 (7)
O1	0.0308 (10)	0.0523 (12)	0.0295 (9)	−0.0099 (9)	0.0018 (7)	0.0136 (8)
O2	0.0332 (10)	0.0561 (12)	0.0338 (10)	−0.0014 (9)	0.0041 (8)	0.0068 (9)
O3	0.0338 (10)	0.0474 (11)	0.0278 (9)	−0.0088 (8)	0.0005 (8)	0.0121 (8)
O4	0.0429 (11)	0.0611 (13)	0.0344 (11)	−0.0178 (10)	−0.0016 (9)	0.0155 (9)
O5	0.0693 (15)	0.0771 (16)	0.0382 (12)	−0.0339 (12)	−0.0023 (11)	0.0030 (11)
O6	0.0713 (15)	0.0667 (15)	0.0360 (11)	−0.0273 (12)	0.0025 (10)	0.0017 (11)
O7	0.0607 (14)	0.0519 (13)	0.0684 (15)	−0.0230 (12)	−0.0085 (12)	−0.0043 (11)
O8	0.0825 (18)	0.0479 (14)	0.0689 (16)	0.0001 (12)	0.0195 (14)	0.0036 (11)
O9	0.0672 (16)	0.0678 (16)	0.0689 (16)	0.0023 (13)	0.0275 (13)	0.0024 (13)
O10	0.081 (2)	0.0707 (19)	0.170 (3)	0.0205 (16)	0.050 (2)	−0.0085 (19)
O11	0.0382 (12)	0.0576 (14)	0.0754 (16)	−0.0092 (10)	−0.0009 (11)	−0.0004 (12)
O12	0.0397 (12)	0.0424 (12)	0.0680 (14)	−0.0065 (9)	0.0065 (10)	0.0013 (10)
O13	0.0734 (16)	0.0538 (14)	0.0978 (19)	0.0140 (13)	0.0386 (15)	0.0073 (13)
N1	0.0383 (13)	0.0494 (14)	0.0301 (12)	−0.0037 (11)	0.0082 (10)	0.0049 (11)
N2	0.0384 (13)	0.0378 (12)	0.0256 (11)	−0.0035 (10)	0.0037 (9)	0.0047 (9)
N3	0.0424 (14)	0.0400 (14)	0.0446 (15)	−0.0035 (12)	−0.0026 (11)	−0.0016 (12)
N4	0.0454 (17)	0.0512 (19)	0.086 (2)	−0.0074 (14)	0.0097 (16)	−0.0130 (16)
N5	0.0502 (17)	0.0459 (16)	0.0488 (15)	0.0003 (13)	0.0086 (13)	0.0133 (12)
C1	0.0305 (14)	0.0330 (14)	0.0326 (14)	−0.0056 (11)	0.0055 (11)	0.0030 (11)
C2	0.0383 (16)	0.0384 (15)	0.0324 (14)	−0.0001 (13)	0.0045 (12)	0.0085 (12)
C3	0.0302 (14)	0.0373 (15)	0.0365 (15)	0.0007 (12)	0.0043 (12)	−0.0031 (12)
C4	0.0373 (17)	0.0584 (19)	0.0444 (17)	0.0009 (14)	−0.0013 (14)	0.0061 (15)
C5	0.0316 (16)	0.076 (2)	0.058 (2)	−0.0064 (16)	−0.0063 (14)	−0.0025 (18)
C6	0.0338 (17)	0.065 (2)	0.062 (2)	−0.0140 (15)	0.0081 (15)	−0.0062 (17)
C7	0.0444 (18)	0.0468 (17)	0.0446 (17)	−0.0097 (14)	0.0116 (14)	0.0006 (14)
C8	0.0321 (14)	0.0362 (15)	0.0355 (15)	−0.0049 (12)	0.0084 (12)	−0.0050 (12)
C9	0.0379 (15)	0.0365 (15)	0.0304 (14)	−0.0054 (12)	0.0063 (12)	0.0058 (11)
C10	0.0291 (14)	0.0338 (14)	0.0283 (13)	−0.0036 (11)	0.0017 (11)	0.0014 (11)
C11	0.0364 (15)	0.0470 (16)	0.0284 (14)	−0.0045 (12)	0.0021 (12)	0.0133 (12)
C12	0.0356 (15)	0.0341 (14)	0.0291 (14)	−0.0049 (12)	0.0067 (12)	−0.0011 (12)
C13	0.0480 (17)	0.054 (2)	0.0341 (15)	−0.0023 (14)	0.0068 (13)	0.0131 (13)
C14	0.104 (3)	0.060 (2)	0.071 (3)	0.012 (2)	0.021 (2)	0.0156 (19)
C15	0.067 (2)	0.082 (2)	0.0349 (18)	−0.0044 (19)	0.0036 (16)	0.0120 (17)
C16	0.050 (2)	0.107 (3)	0.0410 (18)	−0.012 (2)	0.0135 (15)	0.0174 (19)
C17	0.069 (3)	0.196 (5)	0.070 (3)	−0.064 (3)	0.006 (2)	0.026 (3)
C18	0.084 (3)	0.150 (5)	0.100 (4)	0.049 (3)	0.049 (3)	0.011 (3)
C19	0.0412 (16)	0.0393 (15)	0.0286 (14)	−0.0038 (13)	0.0053 (12)	0.0090 (12)
C20	0.0409 (16)	0.0339 (14)	0.0297 (14)	0.0012 (12)	0.0041 (12)	0.0006 (12)
C21	0.0433 (17)	0.0582 (19)	0.0302 (15)	−0.0028 (15)	−0.0031 (13)	0.0101 (14)
C22	0.048 (2)	0.123 (3)	0.062 (2)	0.016 (2)	0.0030 (18)	0.015 (2)
C23	0.087 (3)	0.068 (2)	0.054 (2)	−0.030 (2)	−0.0155 (19)	−0.0002 (18)
C24	0.0471 (17)	0.0557 (19)	0.0326 (15)	−0.0119 (15)	0.0025 (13)	0.0101 (14)
C25	0.094 (3)	0.050 (2)	0.073 (2)	−0.014 (2)	0.000 (2)	0.0188 (18)
C26	0.070 (2)	0.102 (3)	0.057 (2)	−0.006 (2)	0.0292 (19)	0.004 (2)
O14	0.086 (2)	0.099 (2)	0.113 (2)	−0.0182 (18)	0.0121 (18)	−0.0184 (19)
C27	0.089 (3)	0.089 (3)	0.126 (4)	−0.008 (3)	0.024 (3)	−0.025 (3)
C28	0.074 (3)	0.052 (2)	0.089 (3)	0.013 (2)	−0.012 (2)	−0.009 (2)
C29	0.151 (5)	0.150 (5)	0.093 (4)	−0.007 (4)	−0.033 (3)	0.014 (3)

Geometric parameters (Å, º)

Nd—O1	2.5890 (18)	C11—H11A	0.9700
Nd—O2	2.3946 (18)	C11—H11B	0.9700
Nd—O3	2.6908 (17)	C13—C14	1.507 (4)
Nd—O4	2.3687 (18)	C13—C15	1.520 (4)
Nd—O5	2.555 (2)	C13—H13	0.9800
Nd—O6	2.514 (2)	C14—H14A	0.9600
Nd—O8	2.532 (2)	C14—H14B	0.9600
Nd—O9	2.517 (2)	C14—H14C	0.9600
Nd—O11	2.537 (2)	C15—H15A	0.9600
Nd—O12	2.5340 (19)	C15—H15B	0.9600
Nd—N5	2.960 (3)	C15—H15C	0.9600
Nd—N3	2.961 (2)	C16—C17	1.504 (5)
O1—C1	1.386 (3)	C16—C18	1.519 (5)
O1—C11	1.436 (3)	C16—H16	0.9800
O2—C12	1.245 (3)	C17—H17A	0.9600
O3—C10	1.388 (3)	C17—H17B	0.9600
O3—C19	1.427 (3)	C17—H17C	0.9600
O4—C20	1.247 (3)	C18—H18A	0.9600
O5—N3	1.249 (3)	C18—H18B	0.9600
O6—N3	1.267 (3)	C18—H18C	0.9600
O7—N3	1.218 (3)	C19—C20	1.517 (3)
O8—N4	1.266 (4)	C19—H19A	0.9700
O9—N4	1.266 (3)	C19—H19B	0.9700
O10—N4	1.200 (3)	C21—C23	1.515 (4)
O11—N5	1.262 (3)	C21—C22	1.517 (4)
O12—N5	1.267 (3)	C21—H21	0.9800
O13—N5	1.220 (3)	C22—H22A	0.9600
N1—C12	1.318 (3)	C22—H22B	0.9600
N1—C13	1.479 (3)	C22—H22C	0.9600
N1—C16	1.503 (4)	C23—H23A	0.9600
N2—C20	1.323 (3)	C23—H23B	0.9600
N2—C24	1.478 (3)	C23—H23C	0.9600
N2—C21	1.492 (3)	C24—C26	1.514 (4)
C1—C2	1.356 (3)	C24—C25	1.515 (4)
C1—C10	1.418 (3)	C24—H24	0.9800
C2—C3	1.421 (4)	C25—H25A	0.9600
C2—H2	0.9300	C25—H25B	0.9600
C3—C4	1.407 (4)	C25—H25C	0.9600
C3—C8	1.410 (4)	C26—H26A	0.9600
C4—C5	1.361 (4)	C26—H26B	0.9600
C4—H4	0.9300	C26—H26C	0.9600
C5—C6	1.391 (4)	O14—C28	1.197 (4)
C5—H5	0.9300	C27—C28	1.473 (5)
C6—C7	1.356 (4)	C27—H27A	0.9600
C6—H6	0.9300	C27—H27B	0.9600
C7—C8	1.411 (3)	C27—H27C	0.9600
C7—H7	0.9300	C28—C29	1.454 (5)
C8—C9	1.421 (3)	C29—H29A	0.9600
C9—C10	1.362 (3)	C29—H29B	0.9600
C9—H9	0.9300	C29—H29C	0.9600
C11—C12	1.517 (3)
O4—Nd—O2	152.86 (7)	C7—C6—H6	119.7
O4—Nd—O6	73.18 (7)	C5—C6—H6	119.7
O2—Nd—O6	120.43 (6)	C6—C7—C8	120.6 (3)
O4—Nd—O9	79.45 (8)	C6—C7—H7	119.7
O2—Nd—O9	124.08 (7)	C8—C7—H7	119.7
O6—Nd—O9	80.20 (8)	C3—C8—C7	118.7 (2)
O4—Nd—O8	127.81 (8)	C3—C8—C9	119.0 (2)
O2—Nd—O8	78.76 (7)	C7—C8—C9	122.3 (2)
O6—Nd—O8	84.37 (8)	C10—C9—C8	120.7 (2)
O9—Nd—O8	50.15 (8)	C10—C9—H9	119.7
O4—Nd—O12	78.17 (7)	C8—C9—H9	119.7
O2—Nd—O12	75.09 (6)	C9—C10—O3	125.2 (2)
O6—Nd—O12	126.93 (7)	C9—C10—C1	119.9 (2)
O9—Nd—O12	136.42 (7)	O3—C10—C1	114.9 (2)
O8—Nd—O12	146.63 (7)	O1—C11—C12	106.8 (2)
O4—Nd—O11	83.13 (7)	O1—C11—H11A	110.4
O2—Nd—O11	76.25 (7)	C12—C11—H11A	110.4
O6—Nd—O11	82.49 (7)	O1—C11—H11B	110.4
O9—Nd—O11	158.32 (8)	C12—C11—H11B	110.4
O8—Nd—O11	140.46 (7)	H11A—C11—H11B	108.6
O12—Nd—O11	50.11 (6)	O2—C12—N1	123.1 (2)
O4—Nd—O5	120.16 (7)	O2—C12—C11	118.2 (2)
O2—Nd—O5	70.90 (6)	N1—C12—C11	118.6 (2)
O6—Nd—O5	49.77 (7)	N1—C13—C14	110.5 (2)
O9—Nd—O5	103.77 (8)	N1—C13—C15	112.5 (2)
O8—Nd—O5	68.95 (8)	C14—C13—C15	113.0 (3)
O12—Nd—O5	119.79 (7)	N1—C13—H13	106.8
O11—Nd—O5	74.13 (8)	C14—C13—H13	106.8
O4—Nd—O1	118.79 (6)	C15—C13—H13	106.8
O2—Nd—O1	61.05 (6)	C13—C14—H14A	109.5
O6—Nd—O1	152.66 (7)	C13—C14—H14B	109.5
O9—Nd—O1	78.39 (7)	H14A—C14—H14B	109.5
O8—Nd—O1	68.86 (7)	C13—C14—H14C	109.5
O12—Nd—O1	80.41 (6)	H14A—C14—H14C	109.5
O11—Nd—O1	121.75 (6)	H14B—C14—H14C	109.5
O5—Nd—O1	120.33 (6)	C13—C15—H15A	109.5
O4—Nd—O3	60.17 (6)	C13—C15—H15B	109.5
O2—Nd—O3	112.38 (6)	H15A—C15—H15B	109.5
O6—Nd—O3	127.15 (6)	C13—C15—H15C	109.5
O9—Nd—O3	68.71 (7)	H15A—C15—H15C	109.5
O8—Nd—O3	104.62 (7)	H15B—C15—H15C	109.5
O12—Nd—O3	67.73 (6)	N1—C16—C17	113.0 (3)
O11—Nd—O3	113.04 (6)	N1—C16—C18	110.8 (3)
O5—Nd—O3	172.46 (7)	C17—C16—C18	114.0 (4)
O1—Nd—O3	58.63 (5)	N1—C16—H16	106.1
O4—Nd—N5	81.44 (7)	C17—C16—H16	106.1
O2—Nd—N5	72.39 (6)	C18—C16—H16	106.1
O6—Nd—N5	105.77 (7)	C16—C17—H17A	109.5
O9—Nd—N5	157.32 (7)	C16—C17—H17B	109.5
O8—Nd—N5	150.70 (7)	H17A—C17—H17B	109.5
O12—Nd—N5	25.17 (6)	C16—C17—H17C	109.5
O11—Nd—N5	25.06 (6)	H17A—C17—H17C	109.5
O5—Nd—N5	96.32 (8)	H17B—C17—H17C	109.5
O1—Nd—N5	100.52 (7)	C16—C18—H18A	109.5
O3—Nd—N5	91.18 (6)	C16—C18—H18B	109.5
O4—Nd—N3	97.44 (7)	H18A—C18—H18B	109.5
O2—Nd—N3	95.68 (7)	C16—C18—H18C	109.5
O6—Nd—N3	25.09 (6)	H18A—C18—H18C	109.5
O9—Nd—N3	90.69 (7)	H18B—C18—H18C	109.5
O8—Nd—N3	73.69 (7)	O3—C19—C20	107.4 (2)
O12—Nd—N3	128.94 (6)	O3—C19—H19A	110.2
O11—Nd—N3	78.83 (7)	C20—C19—H19A	110.2
O5—Nd—N3	24.79 (6)	O3—C19—H19B	110.2
O1—Nd—N3	138.81 (6)	C20—C19—H19B	110.2
O3—Nd—N3	151.21 (6)	H19A—C19—H19B	108.5
N5—Nd—N3	103.84 (7)	O4—C20—N2	122.4 (2)
C1—O1—C11	115.55 (18)	O4—C20—C19	118.4 (2)
C1—O1—Nd	127.03 (14)	N2—C20—C19	119.2 (2)
C11—O1—Nd	117.13 (14)	N2—C21—C23	111.8 (2)
C12—O2—Nd	124.54 (16)	N2—C21—C22	112.0 (2)
C10—O3—C19	115.49 (18)	C23—C21—C22	112.7 (3)
C10—O3—Nd	123.33 (14)	N2—C21—H21	106.6
C19—O3—Nd	120.22 (14)	C23—C21—H21	106.6
C20—O4—Nd	133.57 (16)	C22—C21—H21	106.6
N3—O5—Nd	96.10 (16)	C21—C22—H22A	109.5
N3—O6—Nd	97.59 (15)	C21—C22—H22B	109.5
N4—O8—Nd	96.88 (18)	H22A—C22—H22B	109.5
N4—O9—Nd	97.58 (19)	C21—C22—H22C	109.5
N5—O11—Nd	96.55 (16)	H22A—C22—H22C	109.5
N5—O12—Nd	96.55 (16)	H22B—C22—H22C	109.5
C12—N1—C13	122.0 (2)	C21—C23—H23A	109.5
C12—N1—C16	119.4 (2)	C21—C23—H23B	109.5
C13—N1—C16	118.5 (2)	H23A—C23—H23B	109.5
C20—N2—C24	123.1 (2)	C21—C23—H23C	109.5
C20—N2—C21	119.4 (2)	H23A—C23—H23C	109.5
C24—N2—C21	117.4 (2)	H23B—C23—H23C	109.5
O7—N3—O5	122.2 (3)	N2—C24—C26	110.7 (2)
O7—N3—O6	121.8 (2)	N2—C24—C25	111.3 (3)
O5—N3—O6	116.0 (2)	C26—C24—C25	112.3 (3)
O7—N3—Nd	175.08 (19)	N2—C24—H24	107.4
O5—N3—Nd	59.11 (13)	C26—C24—H24	107.4
O6—N3—Nd	57.32 (13)	C25—C24—H24	107.4
O10—N4—O8	122.7 (3)	C24—C25—H25A	109.5
O10—N4—O9	121.9 (3)	C24—C25—H25B	109.5
O8—N4—O9	115.4 (3)	H25A—C25—H25B	109.5
O10—N4—Nd	179.3 (3)	C24—C25—H25C	109.5
O8—N4—Nd	58.02 (15)	H25A—C25—H25C	109.5
O9—N4—Nd	57.36 (15)	H25B—C25—H25C	109.5
O13—N5—O11	122.8 (3)	C24—C26—H26A	109.5
O13—N5—O12	120.9 (3)	C24—C26—H26B	109.5
O11—N5—O12	116.3 (2)	H26A—C26—H26B	109.5
O13—N5—Nd	173.9 (2)	C24—C26—H26C	109.5
O11—N5—Nd	58.40 (14)	H26A—C26—H26C	109.5
O12—N5—Nd	58.28 (14)	H26B—C26—H26C	109.5
C2—C1—O1	124.5 (2)	C28—C27—H27A	109.5
C2—C1—C10	120.7 (2)	C28—C27—H27B	109.5
O1—C1—C10	114.8 (2)	H27A—C27—H27B	109.5
C1—C2—C3	120.4 (2)	C28—C27—H27C	109.5
C1—C2—H2	119.8	H27A—C27—H27C	109.5
C3—C2—H2	119.8	H27B—C27—H27C	109.5
C4—C3—C8	119.0 (2)	O14—C28—C29	121.5 (5)
C4—C3—C2	121.8 (2)	O14—C28—C27	121.6 (4)
C8—C3—C2	119.2 (2)	C29—C28—C27	116.8 (4)
C5—C4—C3	120.5 (3)	C28—C29—H29A	109.5
C5—C4—H4	119.7	C28—C29—H29B	109.5
C3—C4—H4	119.7	H29A—C29—H29B	109.5
C4—C5—C6	120.4 (3)	C28—C29—H29C	109.5
C4—C5—H5	119.8	H29A—C29—H29C	109.5
C6—C5—H5	119.8	H29B—C29—H29C	109.5
C7—C6—C5	120.6 (3)