catena-Poly­[[heptakis­(di­methyl­form­amide-[kappa]O)­di-[mu]₄-oxo-tetra-[mu]₃-oxo-hexa­deca-[mu]₂-oxo-tetra­oxo­lan­than­um(III)­octamolybdenum(IV)]-[mu]-sodium(I)]

The title compound, [NaLaMo₈O₂₆(C₃H₇NO)₇]_n, contains infinite chains of [Mo₈O₂₆]^4- units supporting di­methyl­form­amide-coordinated La^III cations and linked by Na⁺ cations. The lanthanum center adopts a nine-coordinate geometry and the Na atom is sandwiched between two [beta]-[Mo₈O₂₆]^4- units.

S1. Comment

In the past decade, considerable progress had been made in the rational design and synthesis of new polyoxometalates (POMs) owing to their intriguing topological structures and applicable properties (Müller et al., 1995, 1998; Pope & Müller, 1991). One of the most challenging tasks is to obtain some POM building blocks and link them into larger discrete clusters, or one-, two- or even three-dimensional extended frameworks in appropriate ways. We are currently making great efforts to link some basic building blocks, such as [Mo₆O₁₉]²⁻, with rare earth salts to form new interesting extended compounds. We report here the synthesis and characterization of the title compound, (I).

The title compound consists of an infinite chain framework built up of octamolybdate-supported dimethylformamide-coordinated La^III cations and Na⁺ ions (Fig. 1). The lanthanum center adopts a nine-coordinate geometry, and the locally centrosymmetric anion, β-Mo₈O₂₆⁴⁻, is linked to the La^III ion through two terminal O atoms (O4 and O19). The most interesting feature is that the La^III ions are located on only one side of the infinite chain, thus producing a locally non-centrosymmetric anionic cluster. Finally, seven O atoms from dimethylformamide (DMF) solvents complete the nine-coordinate environment of the La atom, with La—O distances of 2.474 (4)–2.618 (4) Å and O—La—O bond angles of 66.61 (13)–83.97 (14)° for the neighboring O atoms (Table 1). In the plumb direction, the β-Mo₈O₂₆ units are linked by Na⁺ cations so that the structure extends to a one-dimensional infinite chain. The Na center is eight-coordinate, and one β-Mo₈O₂₆ unit supports four terminal O atoms; the Na atom is sandwiched between two β-Mo₈O₂₆ units (Fig. 2). The distance between two adjacent La atoms is 9.418 (1) Å, along the a axis. The backbone framework of (I) is roughly similar to that of [NH₄][La(DMF)₇(β-Mo₈O₂₆)], (II) (Wu et al., 2002), although the structure of (I) is extended into a one-dimensional infinite chain via Na atoms, while the complex in (II) is discrete.

In the preparation, the β-[Mo₈O₂₆]⁴⁻ unit was formed unexpectedly from [Mo₆O₁₉]²⁻ and Na₂MoO₄. The structure of (I) may give a hint for the synthesis of other transition-metal compounds by linking some appropriate basic building blocks in a controllable way.

S2. Experimental

A solution of [NBu₄]₂[Mo₆O₁₉] (0.22 g, 0.16 mmol) and Na₂MoO₄ (0.10 g, 0.5 mmol) in DMF (7 ml) was added dropwise to a stirred ethanol solution (4 ml) of La(NO₃)₃·3H₂O (0.25 g, 0.7 mmol). The mixture was then stirred at 333 K for 1 h. Colorless crystals of (I) were obtained after the mixture had been filted and the yellow filtrate had been kept in air for several days (yield 53% based on La). Analysis calculated: C 13.58, H 2.66, N 5.28%; found: C 13.61, H 2.52, N 5.33%.

S3. Refinement

All H atoms were positioned geometrically and refined using a riding model, with C—H distance of 0.93–0.96 Å and with U_iso(H) values of 1.2U_eq(C) or 1.5U_eq(C_methyl). The peak in the diffence density map is located 1.14 Å from atom O5.

Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SMART and SAINT (Siemens,1994); data reduction: XPREP in SHELXTL (Siemens, 1994) and SAINT?; program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Figures

	Fig. 1. A molecular drawing of (I), showing 30% probability displacement ellipsoids. All C, N and H atoms have been omitted for clarity. [Symmetry code: (i) x − 1, y, z.]
	Fig. 2. A polyhedral representation of the infinite chain in (I). All C, N and H atoms have been omitted for clarity.

catena-poly[[heptakis(dimethylformamide-κO)di-µ₄-oxo-tetra-µ₃-oxo- hexadeca-µ₂-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-µ-sodium(I)]

Crystal data

[NaLaMo8O26(C3H7N)7]	F(000) = 3568
Mr = 1857.09	Dx = 2.462 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 12241 reflections
a = 9.418 (1) Å	θ = 1.8–25.0°
b = 22.4088 (10) Å	µ = 2.87 mm^−1
c = 23.7508 (13) Å	T = 293 K
β = 92.098 (3)°	Prism, colorless
V = 5009.2 (6) Å^3	0.28 × 0.20 × 0.08 mm
Z = 4

Data collection

Bruker SMART P4 diffractometer	8775 independent reflections
Radiation source: fine-focus sealed tube	8115 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)	h = −11→10
Tmin = 0.507, Tmax = 0.795	k = −26→25
29069 measured reflections	l = −25→28

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.097	H-atom parameters constrained
S = 0.99	w = 1/[σ^2(Fo^2) + (0.046P)^2 + 34.1827P] where P = (Fo^2 + 2Fc^2)/3
8775 reflections	(Δ/σ)max = 0.011
654 parameters	Δρmax = 1.24 e Å^−3
0 restraints	Δρmin = −0.86 e Å^−3

Special details

Experimental. IR (solid KBr pellet, v/cm⁻¹): 3434m, 2928w, 1650 s, 1497w, 1434w, 1383m, 1252w, 1109w, 940m, 914 s, 842m, 727m, 674m, 523w, 413w.

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
La1	0.50502 (3)	0.763587 (14)	0.051399 (13)	0.01294 (9)
Mo1	0.37412 (5)	0.62786 (2)	0.28401 (2)	0.01263 (11)
Mo2	0.25046 (5)	0.48938 (2)	0.15207 (2)	0.01715 (12)
Mo3	0.31467 (5)	0.63049 (2)	0.15027 (2)	0.01366 (11)
Mo4	0.64368 (5)	0.53271 (2)	0.33429 (2)	0.01661 (12)
Mo5	0.31451 (5)	0.48623 (2)	0.28789 (2)	0.01605 (12)
Mo6	0.70535 (5)	0.67458 (2)	0.33079 (2)	0.01464 (12)
Mo7	0.58226 (5)	0.53361 (2)	0.19953 (2)	0.01401 (12)
Mo8	0.64550 (5)	0.67367 (2)	0.196852 (19)	0.01254 (11)
Na1	0.9806 (2)	0.58206 (11)	0.24341 (10)	0.0256 (5)
O1	0.0815 (4)	0.51013 (19)	0.16817 (18)	0.0228 (9)
O2	0.3407 (5)	0.4317 (2)	0.33707 (19)	0.0269 (10)
O3	0.2278 (5)	0.4367 (2)	0.10102 (19)	0.0296 (10)
O4	0.6095 (4)	0.72743 (18)	0.14703 (16)	0.0199 (9)
O5	0.5520 (4)	0.48882 (17)	0.26826 (17)	0.0178 (8)
O6	0.1433 (4)	0.51003 (19)	0.29560 (17)	0.0211 (9)
O7	0.8171 (4)	0.65287 (19)	0.18888 (16)	0.0184 (8)
O8	0.7576 (4)	0.52069 (19)	0.19021 (18)	0.0224 (9)
O9	0.6589 (4)	0.60582 (18)	0.37452 (16)	0.0166 (8)
O10	0.6267 (5)	0.4832 (2)	0.3874 (2)	0.0310 (11)
O11	0.8140 (4)	0.52470 (19)	0.31357 (18)	0.0242 (9)
O12	0.4904 (4)	0.48529 (18)	0.15301 (17)	0.0207 (9)
O13	0.5535 (4)	0.60584 (17)	0.15500 (16)	0.0154 (8)
O14	0.7253 (4)	0.72979 (19)	0.37966 (17)	0.0224 (9)
O15	0.1978 (4)	0.63906 (18)	0.29305 (17)	0.0196 (9)
O16	0.6064 (4)	0.60317 (17)	0.26185 (16)	0.0139 (8)
O17	0.1431 (4)	0.64012 (19)	0.16792 (17)	0.0205 (9)
O18	0.3508 (4)	0.56095 (17)	0.21963 (16)	0.0136 (8)
O19	0.3477 (4)	0.68322 (18)	0.09928 (17)	0.0200 (9)
O20	0.4036 (4)	0.67378 (16)	0.21563 (15)	0.0131 (8)
O21	0.8750 (4)	0.65414 (19)	0.31509 (16)	0.0194 (9)
O22	0.4642 (4)	0.67801 (18)	0.32975 (16)	0.0172 (8)
O23	0.4073 (4)	0.55619 (18)	0.32886 (16)	0.0173 (8)
O24	0.2959 (4)	0.44334 (17)	0.21931 (17)	0.0182 (8)
O25	0.6619 (4)	0.71967 (17)	0.26300 (16)	0.0155 (8)
O26	0.2982 (4)	0.55951 (18)	0.10862 (16)	0.0176 (8)
O27	0.2524 (4)	0.78793 (19)	0.02508 (18)	0.0221 (9)
O28	0.6809 (5)	0.6773 (2)	0.04240 (18)	0.0258 (10)
O29	0.4045 (4)	0.6874 (2)	−0.01967 (17)	0.0241 (9)
O30	0.4110 (4)	0.8235 (2)	0.13172 (17)	0.0233 (9)
O31	0.4970 (4)	0.87486 (19)	0.02539 (19)	0.0251 (10)
O32	0.6139 (5)	0.7794 (2)	−0.04065 (17)	0.0235 (9)
O34	0.7393 (4)	0.81257 (19)	0.07944 (17)	0.0204 (9)
N1	0.0672 (5)	0.8513 (2)	0.0098 (2)	0.0208 (11)
N2	0.7558 (7)	0.5814 (3)	0.0429 (2)	0.0365 (15)
N3	0.4848 (5)	0.8621 (2)	0.21619 (19)	0.0163 (10)
N4	0.6454 (5)	0.7349 (2)	−0.1252 (2)	0.0208 (11)
N5	0.9231 (5)	0.8022 (2)	0.1432 (2)	0.0242 (11)
N6	0.2386 (5)	0.6396 (2)	−0.0742 (2)	0.0231 (11)
N7	0.5986 (5)	0.9418 (2)	−0.0320 (2)	0.0229 (11)
C1	0.7190 (12)	0.5188 (4)	0.0322 (4)	0.066 (3)
H1A	0.6202	0.5158	0.0211	0.099*
H1B	0.7372	0.4959	0.0659	0.099*
H1C	0.7755	0.5035	0.0026	0.099*
C2	0.9000 (9)	0.5950 (4)	0.0642 (4)	0.051 (2)
H2A	0.9068	0.6366	0.0733	0.076*
H2B	0.9665	0.5855	0.0358	0.076*
H2C	0.9212	0.5717	0.0973	0.076*
C3	0.5059 (9)	0.9290 (4)	−0.0798 (3)	0.044 (2)
H3A	0.4308	0.9032	−0.0686	0.066*
H3B	0.5588	0.9097	−0.1085	0.066*
H3C	0.4661	0.9655	−0.0945	0.066*
C4	0.0051 (7)	0.9090 (3)	0.0217 (3)	0.0362 (17)
H4A	0.0583	0.9277	0.0521	0.054*
H4B	−0.0916	0.9037	0.0322	0.054*
H4C	0.0075	0.9337	−0.0112	0.054*
C5	0.3351 (8)	0.6291 (3)	−0.1192 (3)	0.0358 (17)
H5A	0.4313	0.6310	−0.1045	0.054*
H5B	0.3207	0.6589	−0.1479	0.054*
H5C	0.3174	0.5902	−0.1351	0.054*
C6	0.8649 (8)	0.8446 (3)	0.1830 (3)	0.0367 (17)
H6A	0.8008	0.8713	0.1633	0.055*
H6B	0.9410	0.8671	0.2007	0.055*
H6C	0.8148	0.8233	0.2112	0.055*
C7	0.0886 (7)	0.6255 (3)	−0.0866 (3)	0.0368 (17)
H7A	0.0350	0.6324	−0.0536	0.055*
H7B	0.0799	0.5844	−0.0976	0.055*
H7C	0.0527	0.6505	−0.1167	0.055*
C8	0.5887 (6)	0.9129 (3)	0.0158 (3)	0.0203 (13)
H8A	0.6552	0.9216	0.0445	0.024*
C9	0.7809 (7)	0.7086 (3)	−0.1073 (3)	0.0276 (14)
H9A	0.7909	0.7098	−0.0670	0.041*
H9B	0.8568	0.7307	−0.1233	0.041*
H9C	0.7843	0.6679	−0.1198	0.041*
C10	−0.0099 (6)	0.8145 (3)	−0.0310 (3)	0.0269 (15)
H10A	0.0382	0.7770	−0.0348	0.040*
H10B	−0.0146	0.8345	−0.0668	0.040*
H10C	−0.1044	0.8076	−0.0186	0.040*
C11	0.7072 (7)	0.9873 (3)	−0.0392 (3)	0.0319 (16)
H11A	0.7539	0.9957	−0.0035	0.048*
H11B	0.6636	1.0231	−0.0539	0.048*
H11C	0.7756	0.9731	−0.0651	0.048*
C12	0.2808 (7)	0.6697 (3)	−0.0295 (3)	0.0235 (13)
H12A	0.2134	0.6786	−0.0031	0.028*
C13	0.8526 (6)	0.7890 (3)	0.0971 (2)	0.0220 (13)
H13A	0.8898	0.7589	0.0750	0.026*
C14	1.0577 (7)	0.7751 (3)	0.1596 (3)	0.0342 (16)
H14A	1.0812	0.7452	0.1325	0.051*
H14B	1.0508	0.7569	0.1960	0.051*
H14C	1.1305	0.8051	0.1612	0.051*
C15	0.5684 (7)	0.9061 (3)	0.2482 (3)	0.0242 (13)
H15A	0.6118	0.9332	0.2227	0.036*
H15B	0.6409	0.8861	0.2706	0.036*
H15C	0.5075	0.9279	0.2724	0.036*
C16	0.6617 (8)	0.6236 (3)	0.0350 (3)	0.0334 (16)
H16A	0.5712	0.6118	0.0227	0.040*
C17	0.4069 (7)	0.8192 (3)	0.2492 (3)	0.0254 (14)
H17A	0.3605	0.7908	0.2245	0.038*
H17B	0.3372	0.8397	0.2704	0.038*
H17C	0.4718	0.7986	0.2746	0.038*
C18	0.5740 (6)	0.7675 (3)	−0.0902 (2)	0.0221 (13)
H18A	0.4871	0.7829	−0.1031	0.027*
C19	0.1897 (6)	0.8363 (3)	0.0339 (3)	0.0203 (12)
H19A	0.2326	0.8631	0.0591	0.024*
C20	0.5965 (7)	0.7252 (3)	−0.1829 (3)	0.0306 (15)
H20A	0.5062	0.7444	−0.1893	0.046*
H20B	0.5868	0.6832	−0.1897	0.046*
H20C	0.6641	0.7417	−0.2078	0.046*
C21	0.4796 (6)	0.8606 (3)	0.1616 (2)	0.0218 (13)
H21A	0.5311	0.8895	0.1430	0.026*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.01295 (16)	0.01314 (16)	0.01263 (16)	−0.00067 (12)	−0.00078 (12)	0.00088 (12)
Mo1	0.0089 (2)	0.0134 (2)	0.0156 (2)	0.00081 (18)	0.00178 (17)	−0.00064 (18)
Mo2	0.0154 (3)	0.0144 (3)	0.0217 (3)	−0.00443 (19)	0.0005 (2)	−0.00126 (19)
Mo3	0.0109 (2)	0.0138 (2)	0.0162 (2)	−0.00208 (18)	−0.00123 (18)	0.00226 (18)
Mo4	0.0124 (2)	0.0161 (3)	0.0212 (3)	−0.00006 (19)	−0.00218 (19)	0.0038 (2)
Mo5	0.0123 (2)	0.0151 (3)	0.0207 (3)	−0.00246 (19)	0.00079 (19)	0.00400 (19)
Mo6	0.0118 (2)	0.0173 (3)	0.0148 (2)	−0.00178 (19)	0.00051 (18)	−0.00103 (18)
Mo7	0.0105 (2)	0.0125 (2)	0.0193 (3)	0.00077 (18)	0.00347 (18)	−0.00108 (18)
Mo8	0.0099 (2)	0.0139 (2)	0.0138 (2)	−0.00226 (18)	0.00023 (17)	0.00247 (18)
Na1	0.0195 (12)	0.0268 (14)	0.0305 (14)	0.0038 (10)	0.0006 (10)	0.0038 (11)
O1	0.016 (2)	0.022 (2)	0.030 (2)	−0.0044 (17)	−0.0025 (17)	0.0069 (18)
O2	0.025 (2)	0.025 (2)	0.030 (2)	−0.0051 (19)	−0.0035 (19)	0.0104 (19)
O3	0.033 (3)	0.023 (2)	0.033 (3)	−0.010 (2)	0.002 (2)	−0.010 (2)
O4	0.022 (2)	0.019 (2)	0.018 (2)	−0.0063 (17)	−0.0024 (16)	0.0034 (16)
O5	0.018 (2)	0.0092 (19)	0.026 (2)	−0.0003 (16)	0.0013 (17)	−0.0003 (16)
O6	0.014 (2)	0.026 (2)	0.023 (2)	−0.0019 (17)	0.0021 (16)	−0.0005 (18)
O7	0.0122 (19)	0.024 (2)	0.019 (2)	−0.0013 (17)	0.0015 (15)	−0.0005 (17)
O8	0.013 (2)	0.020 (2)	0.034 (2)	0.0030 (17)	0.0057 (17)	−0.0009 (18)
O9	0.015 (2)	0.019 (2)	0.015 (2)	−0.0022 (16)	−0.0003 (15)	0.0010 (16)
O10	0.031 (3)	0.026 (3)	0.035 (3)	−0.005 (2)	−0.006 (2)	0.011 (2)
O11	0.017 (2)	0.023 (2)	0.032 (2)	0.0028 (18)	−0.0032 (18)	−0.0023 (19)
O12	0.019 (2)	0.019 (2)	0.024 (2)	0.0008 (17)	0.0028 (17)	−0.0048 (17)
O13	0.0147 (19)	0.015 (2)	0.0164 (19)	−0.0027 (16)	0.0029 (15)	0.0005 (15)
O14	0.019 (2)	0.027 (2)	0.021 (2)	−0.0085 (18)	0.0018 (17)	−0.0054 (18)
O15	0.011 (2)	0.021 (2)	0.026 (2)	−0.0010 (16)	0.0027 (16)	−0.0028 (17)
O16	0.0098 (18)	0.0118 (19)	0.020 (2)	0.0018 (15)	0.0020 (15)	0.0012 (15)
O17	0.013 (2)	0.020 (2)	0.028 (2)	−0.0005 (17)	−0.0031 (16)	0.0027 (17)
O18	0.0113 (19)	0.0106 (19)	0.019 (2)	−0.0005 (15)	0.0014 (15)	0.0003 (15)
O19	0.018 (2)	0.019 (2)	0.023 (2)	−0.0058 (17)	−0.0049 (16)	0.0065 (17)
O20	0.0109 (19)	0.0112 (19)	0.0173 (19)	0.0014 (15)	0.0027 (15)	0.0008 (15)
O21	0.012 (2)	0.025 (2)	0.020 (2)	−0.0030 (17)	0.0008 (16)	0.0033 (17)
O22	0.017 (2)	0.018 (2)	0.017 (2)	0.0017 (16)	0.0033 (16)	−0.0032 (16)
O23	0.014 (2)	0.018 (2)	0.020 (2)	−0.0020 (16)	0.0013 (16)	0.0019 (16)
O24	0.018 (2)	0.012 (2)	0.024 (2)	−0.0038 (16)	−0.0035 (16)	−0.0007 (16)
O25	0.0129 (19)	0.014 (2)	0.019 (2)	−0.0030 (15)	−0.0042 (15)	0.0012 (15)
O26	0.017 (2)	0.017 (2)	0.018 (2)	−0.0058 (16)	−0.0004 (16)	−0.0019 (16)
O27	0.017 (2)	0.020 (2)	0.028 (2)	0.0031 (17)	−0.0056 (17)	−0.0003 (18)
O28	0.028 (2)	0.024 (2)	0.025 (2)	0.0124 (19)	−0.0013 (18)	−0.0016 (18)
O29	0.022 (2)	0.027 (2)	0.023 (2)	0.0006 (19)	−0.0047 (17)	−0.0055 (18)
O30	0.020 (2)	0.031 (3)	0.019 (2)	0.0002 (19)	−0.0001 (17)	−0.0032 (18)
O31	0.024 (2)	0.016 (2)	0.036 (3)	−0.0009 (18)	0.0075 (19)	0.0057 (18)
O32	0.026 (2)	0.027 (2)	0.017 (2)	−0.0020 (19)	0.0028 (17)	−0.0021 (17)
O34	0.013 (2)	0.024 (2)	0.024 (2)	−0.0060 (17)	−0.0039 (16)	0.0062 (17)
N1	0.017 (3)	0.022 (3)	0.023 (3)	0.001 (2)	0.003 (2)	0.004 (2)
N2	0.056 (4)	0.026 (3)	0.028 (3)	0.021 (3)	0.007 (3)	0.007 (2)
N3	0.018 (2)	0.015 (2)	0.016 (2)	−0.003 (2)	0.0019 (19)	0.0009 (19)
N4	0.023 (3)	0.020 (3)	0.019 (3)	0.004 (2)	−0.001 (2)	−0.005 (2)
N5	0.018 (3)	0.025 (3)	0.029 (3)	0.000 (2)	−0.001 (2)	0.005 (2)
N6	0.021 (3)	0.020 (3)	0.028 (3)	0.002 (2)	−0.006 (2)	−0.002 (2)
N7	0.022 (3)	0.022 (3)	0.025 (3)	−0.002 (2)	0.002 (2)	0.005 (2)
C1	0.105 (8)	0.021 (4)	0.072 (7)	0.022 (5)	0.003 (6)	0.000 (4)
C2	0.044 (5)	0.063 (6)	0.046 (5)	0.027 (4)	0.003 (4)	0.005 (4)
C3	0.048 (5)	0.048 (5)	0.035 (4)	−0.012 (4)	−0.016 (3)	0.012 (4)
C4	0.024 (4)	0.026 (4)	0.058 (5)	0.007 (3)	0.004 (3)	−0.001 (3)
C5	0.035 (4)	0.036 (4)	0.037 (4)	0.005 (3)	−0.001 (3)	−0.015 (3)
C6	0.033 (4)	0.041 (4)	0.036 (4)	0.005 (3)	−0.002 (3)	−0.014 (3)
C7	0.020 (3)	0.041 (4)	0.048 (4)	0.000 (3)	−0.014 (3)	−0.011 (3)
C8	0.015 (3)	0.022 (3)	0.023 (3)	0.007 (2)	0.000 (2)	0.000 (2)
C9	0.026 (3)	0.026 (4)	0.031 (4)	0.004 (3)	−0.001 (3)	−0.004 (3)
C10	0.017 (3)	0.047 (4)	0.016 (3)	0.002 (3)	0.000 (2)	−0.002 (3)
C11	0.022 (3)	0.028 (4)	0.046 (4)	−0.002 (3)	0.000 (3)	0.014 (3)
C12	0.024 (3)	0.017 (3)	0.029 (3)	0.000 (3)	−0.003 (3)	−0.003 (3)
C13	0.024 (3)	0.024 (3)	0.018 (3)	−0.007 (3)	0.004 (2)	0.008 (2)
C14	0.022 (3)	0.037 (4)	0.043 (4)	0.006 (3)	−0.011 (3)	0.008 (3)
C15	0.027 (3)	0.022 (3)	0.023 (3)	−0.002 (3)	−0.002 (3)	−0.002 (3)
C16	0.049 (4)	0.020 (4)	0.030 (4)	0.008 (3)	−0.006 (3)	0.001 (3)
C17	0.031 (4)	0.024 (3)	0.023 (3)	−0.002 (3)	0.013 (3)	0.000 (3)
C18	0.017 (3)	0.031 (3)	0.019 (3)	0.004 (3)	0.002 (2)	0.001 (3)
C19	0.017 (3)	0.021 (3)	0.024 (3)	−0.004 (2)	0.003 (2)	0.002 (2)
C20	0.030 (4)	0.041 (4)	0.021 (3)	0.008 (3)	0.002 (3)	−0.004 (3)
C21	0.019 (3)	0.025 (3)	0.021 (3)	0.001 (3)	0.001 (2)	0.002 (3)

Geometric parameters (Å, º)

La1—O32	2.474 (4)	O30—C21	1.257 (7)
La1—O27	2.498 (4)	O31—C8	1.240 (7)
La1—O30	2.519 (4)	O32—C18	1.251 (7)
La1—O34	2.532 (4)	O34—C13	1.249 (7)
La1—O29	2.557 (4)	N1—C19	1.313 (8)
La1—O28	2.560 (4)	N1—C10	1.449 (8)
La1—O31	2.569 (4)	N1—C4	1.450 (8)
La1—O4	2.573 (4)	N2—C16	1.303 (9)
La1—O19	2.618 (4)	N2—C2	1.464 (11)
Mo1—O15	1.701 (4)	N2—C1	1.467 (10)
Mo1—O22	1.759 (4)	N3—C21	1.295 (7)
Mo1—O23	1.946 (4)	N3—C17	1.456 (7)
Mo1—O20	1.951 (4)	N3—C15	1.458 (8)
Mo1—O18	2.147 (4)	N4—C18	1.311 (8)
Mo1—O16	2.335 (4)	N4—C20	1.444 (8)
Mo1—Mo3	3.2057 (7)	N4—C9	1.455 (8)
Mo2—O3	1.700 (4)	N5—C13	1.293 (8)
Mo2—O1	1.715 (4)	N5—C14	1.447 (8)
Mo2—O24	1.936 (4)	N5—C6	1.461 (8)
Mo2—O26	1.942 (4)	N6—C12	1.308 (8)
Mo2—O12	2.261 (4)	N6—C5	1.448 (8)
Mo2—O18	2.435 (4)	N6—C7	1.467 (8)
Mo3—O17	1.698 (4)	N7—C8	1.314 (8)
Mo3—O19	1.728 (4)	N7—C3	1.437 (9)
Mo3—O26	1.877 (4)	N7—C11	1.458 (8)
Mo3—O20	1.989 (4)	C1—H1A	0.9600
Mo3—O18	2.284 (4)	C1—H1B	0.9600
Mo3—O13	2.315 (4)	C1—H1C	0.9600
Mo4—O10	1.692 (4)	C2—H2A	0.9600
Mo4—O11	1.705 (4)	C2—H2B	0.9600
Mo4—O9	1.899 (4)	C2—H2C	0.9600
Mo4—O5	2.018 (4)	C3—H3A	0.9600
Mo4—O23	2.286 (4)	C3—H3B	0.9600
Mo4—O16	2.352 (4)	C3—H3C	0.9600
Mo5—O2	1.703 (4)	C4—H4A	0.9600
Mo5—O6	1.715 (4)	C4—H4B	0.9600
Mo5—O24	1.894 (4)	C4—H4C	0.9600
Mo5—O23	2.027 (4)	C5—H5A	0.9600
Mo5—O5	2.302 (4)	C5—H5B	0.9600
Mo5—O18	2.364 (4)	C5—H5C	0.9600
Mo6—O14	1.702 (4)	C6—H6A	0.9600
Mo6—O21	1.716 (4)	C6—H6B	0.9600
Mo6—O9	1.918 (4)	C6—H6C	0.9600
Mo6—O25	1.932 (4)	C7—H7A	0.9600
Mo6—O22	2.272 (4)	C7—H7B	0.9600
Mo6—O16	2.449 (4)	C7—H7C	0.9600
Mo6—Mo8	3.2103 (6)	C8—H8A	0.9300
Mo7—O8	1.699 (4)	C9—H9A	0.9600
Mo7—O12	1.753 (4)	C9—H9B	0.9600
Mo7—O5	1.946 (4)	C9—H9C	0.9600
Mo7—O13	1.947 (4)	C10—H10A	0.9600
Mo7—O16	2.156 (4)	C10—H10B	0.9600
Mo7—O18	2.330 (4)	C10—H10C	0.9600
Mo7—Mo8	3.1957 (7)	C11—H11A	0.9600
Mo8—O7	1.700 (4)	C11—H11B	0.9600
Mo8—O4	1.714 (4)	C11—H11C	0.9600
Mo8—O25	1.881 (4)	C12—H12A	0.9300
Mo8—O13	1.997 (4)	C13—H13A	0.9300
Mo8—O16	2.249 (4)	C14—H14A	0.9600
Mo8—O20	2.338 (4)	C14—H14B	0.9600
Na1—O6^i	2.520 (5)	C14—H14C	0.9600
Na1—O7	2.534 (5)	C15—H15A	0.9600
Na1—O21	2.573 (5)	C15—H15B	0.9600
Na1—O1^i	2.611 (5)	C15—H15C	0.9600
Na1—O15^i	2.651 (5)	C16—H16A	0.9300
Na1—O11	2.661 (5)	C17—H17A	0.9600
Na1—O17^i	2.730 (5)	C17—H17B	0.9600
Na1—O8	2.776 (5)	C17—H17C	0.9600
O1—Na1^ii	2.611 (5)	C18—H18A	0.9300
O6—Na1^ii	2.520 (5)	C19—H19A	0.9300
O15—Na1^ii	2.651 (5)	C20—H20A	0.9600
O17—Na1^ii	2.730 (5)	C20—H20B	0.9600
O27—C19	1.255 (7)	C20—H20C	0.9600
O28—C16	1.230 (8)	C21—H21A	0.9300
O29—C12	1.244 (7)
O32—La1—O27	99.75 (14)	O21—Na1—O15^i	73.39 (14)
O32—La1—O30	139.60 (14)	O1^i—Na1—O15^i	107.91 (15)
O27—La1—O30	73.45 (13)	O6^i—Na1—O11	75.19 (14)
O32—La1—O34	77.58 (13)	O7—Na1—O11	105.15 (15)
O27—La1—O34	141.64 (14)	O21—Na1—O11	68.76 (14)
O30—La1—O34	84.09 (14)	O1^i—Na1—O11	111.59 (16)
O32—La1—O29	70.59 (14)	O15^i—Na1—O11	114.65 (16)
O27—La1—O29	69.77 (14)	O6^i—Na1—O17^i	106.43 (15)
O30—La1—O29	136.31 (14)	O7—Na1—O17^i	73.19 (14)
O34—La1—O29	139.55 (14)	O21—Na1—O17^i	112.03 (15)
O32—La1—O28	75.16 (14)	O1^i—Na1—O17^i	67.53 (14)
O27—La1—O28	139.23 (14)	O15^i—Na1—O17^i	67.69 (13)
O30—La1—O28	135.39 (14)	O11—Na1—O17^i	177.61 (16)
O34—La1—O28	77.81 (14)	O6^i—Na1—O8	110.05 (16)
O29—La1—O28	70.50 (14)	O7—Na1—O8	69.03 (14)
O32—La1—O31	70.01 (14)	O21—Na1—O8	107.92 (14)
O27—La1—O31	73.06 (14)	O1^i—Na1—O8	70.79 (14)
O30—La1—O31	69.95 (14)	O15^i—Na1—O8	178.68 (16)
O34—La1—O31	70.13 (14)	O11—Na1—O8	65.92 (14)
O29—La1—O31	118.81 (14)	O17^i—Na1—O8	111.74 (15)
O28—La1—O31	136.57 (14)	Mo2—O1—Na1^ii	133.2 (2)
O32—La1—O4	131.90 (14)	Mo8—O4—La1	152.9 (2)
O27—La1—O4	128.28 (13)	Mo7—O5—Mo4	109.19 (18)
O30—La1—O4	68.46 (13)	Mo7—O5—Mo5	110.87 (18)
O34—La1—O4	66.61 (13)	Mo4—O5—Mo5	104.25 (17)
O29—La1—O4	119.53 (13)	Mo5—O6—Na1^ii	134.7 (2)
O28—La1—O4	66.93 (14)	Mo8—O7—Na1	132.7 (2)
O31—La1—O4	121.65 (14)	Mo7—O8—Na1	125.4 (2)
O32—La1—O19	137.87 (14)	Mo4—O9—Mo6	115.79 (19)
O27—La1—O19	73.14 (13)	Mo4—O11—Na1	135.4 (2)
O30—La1—O19	79.47 (14)	Mo7—O12—Mo2	116.82 (19)
O34—La1—O19	133.28 (13)	Mo7—O13—Mo8	108.25 (18)
O29—La1—O19	68.03 (13)	Mo7—O13—Mo3	109.90 (16)
O28—La1—O19	83.97 (14)	Mo8—O13—Mo3	104.23 (16)
O31—La1—O19	139.45 (13)	Mo1—O15—Na1^ii	127.9 (2)
O4—La1—O19	66.68 (12)	Mo7—O16—Mo8	93.00 (14)
O15—Mo1—O22	106.18 (19)	Mo7—O16—Mo1	104.48 (15)
O15—Mo1—O23	100.99 (18)	Mo8—O16—Mo1	99.60 (14)
O22—Mo1—O23	97.17 (18)	Mo7—O16—Mo4	91.49 (14)
O15—Mo1—O20	101.34 (18)	Mo8—O16—Mo4	161.79 (18)
O22—Mo1—O20	95.58 (17)	Mo1—O16—Mo4	96.33 (13)
O23—Mo1—O20	149.99 (16)	Mo7—O16—Mo6	163.60 (18)
O15—Mo1—O18	96.78 (17)	Mo8—O16—Mo6	86.10 (13)
O22—Mo1—O18	156.97 (16)	Mo1—O16—Mo6	91.80 (13)
O23—Mo1—O18	79.85 (16)	Mo4—O16—Mo6	84.64 (12)
O20—Mo1—O18	77.84 (15)	Mo3—O17—Na1^ii	131.6 (2)
O15—Mo1—O16	172.08 (17)	Mo1—O18—Mo3	92.63 (14)
O22—Mo1—O16	81.73 (16)	Mo1—O18—Mo7	104.92 (15)
O23—Mo1—O16	78.15 (14)	Mo3—O18—Mo7	98.48 (14)
O20—Mo1—O16	76.97 (14)	Mo1—O18—Mo5	91.14 (13)
O18—Mo1—O16	75.30 (14)	Mo3—O18—Mo5	162.99 (18)
O15—Mo1—Mo3	89.23 (14)	Mo7—O18—Mo5	96.56 (14)
O22—Mo1—Mo3	131.52 (13)	Mo1—O18—Mo2	163.01 (18)
O23—Mo1—Mo3	125.19 (12)	Mo3—O18—Mo2	85.99 (12)
O20—Mo1—Mo3	35.94 (11)	Mo7—O18—Mo2	92.02 (13)
O18—Mo1—Mo3	45.38 (10)	Mo5—O18—Mo2	85.58 (12)
O16—Mo1—Mo3	84.96 (9)	Mo3—O19—La1	153.4 (2)
O3—Mo2—O1	104.7 (2)	Mo1—O20—Mo3	108.90 (17)
O3—Mo2—O24	103.7 (2)	Mo1—O20—Mo8	109.12 (16)
O1—Mo2—O24	98.01 (18)	Mo3—O20—Mo8	103.65 (15)
O3—Mo2—O26	102.0 (2)	Mo6—O21—Na1	134.2 (2)
O1—Mo2—O26	97.69 (18)	Mo1—O22—Mo6	116.37 (19)
O24—Mo2—O26	145.21 (16)	Mo1—O23—Mo5	108.52 (18)
O3—Mo2—O12	94.48 (19)	Mo1—O23—Mo4	110.94 (17)
O1—Mo2—O12	160.79 (18)	Mo5—O23—Mo4	104.54 (17)
O24—Mo2—O12	77.28 (16)	Mo5—O24—Mo2	116.7 (2)
O26—Mo2—O12	77.72 (16)	Mo8—O25—Mo6	114.7 (2)
O3—Mo2—O18	164.34 (18)	Mo3—O26—Mo2	114.98 (19)
O1—Mo2—O18	90.88 (17)	C19—O27—La1	126.6 (4)
O24—Mo2—O18	74.85 (15)	C16—O28—La1	131.3 (5)
O26—Mo2—O18	74.06 (15)	C12—O29—La1	131.1 (4)
O12—Mo2—O18	69.91 (13)	C21—O30—La1	126.3 (4)
O17—Mo3—O19	106.5 (2)	C8—O31—La1	134.1 (4)
O17—Mo3—O26	100.18 (19)	C18—O32—La1	132.9 (4)
O19—Mo3—O26	102.92 (19)	C13—O34—La1	129.0 (4)
O17—Mo3—O20	97.04 (18)	C19—N1—C10	123.8 (5)
O19—Mo3—O20	97.59 (17)	C19—N1—C4	119.9 (6)
O26—Mo3—O20	148.11 (16)	C10—N1—C4	116.2 (5)
O17—Mo3—O18	91.52 (17)	C16—N2—C2	121.1 (7)
O19—Mo3—O18	161.06 (16)	C16—N2—C1	120.9 (7)
O26—Mo3—O18	78.99 (16)	C2—N2—C1	117.9 (7)
O20—Mo3—O18	73.88 (14)	C21—N3—C17	121.4 (5)
O17—Mo3—O13	161.83 (17)	C21—N3—C15	122.6 (5)
O19—Mo3—O13	89.86 (17)	C17—N3—C15	116.0 (5)
O26—Mo3—O13	83.38 (15)	C18—N4—C20	122.1 (5)
O20—Mo3—O13	72.42 (14)	C18—N4—C9	120.3 (5)
O18—Mo3—O13	71.54 (13)	C20—N4—C9	117.5 (5)
O17—Mo3—Mo1	83.74 (14)	C13—N5—C14	123.4 (6)
O19—Mo3—Mo1	132.65 (14)	C13—N5—C6	120.2 (6)
O26—Mo3—Mo1	120.98 (12)	C14—N5—C6	116.4 (6)
O20—Mo3—Mo1	35.15 (11)	C12—N6—C5	120.2 (6)
O18—Mo3—Mo1	41.99 (9)	C12—N6—C7	122.4 (6)
O13—Mo3—Mo1	79.24 (9)	C5—N6—C7	116.3 (5)
O10—Mo4—O11	105.2 (2)	C8—N7—C3	121.6 (6)
O10—Mo4—O9	101.5 (2)	C8—N7—C11	121.3 (5)
O11—Mo4—O9	100.45 (19)	C3—N7—C11	117.1 (5)
O10—Mo4—O5	102.1 (2)	N2—C1—H1A	109.5
O11—Mo4—O5	96.02 (18)	N2—C1—H1B	109.5
O9—Mo4—O5	146.47 (16)	H1A—C1—H1B	109.5
O10—Mo4—O23	94.27 (19)	N2—C1—H1C	109.5
O11—Mo4—O23	158.84 (18)	H1A—C1—H1C	109.5
O9—Mo4—O23	83.42 (15)	H1B—C1—H1C	109.5
O5—Mo4—O23	71.36 (15)	N2—C2—H2A	109.5
O10—Mo4—O16	165.90 (19)	N2—C2—H2B	109.5
O11—Mo4—O16	88.66 (17)	H2A—C2—H2B	109.5
O9—Mo4—O16	78.20 (15)	N2—C2—H2C	109.5
O5—Mo4—O16	73.18 (14)	H2A—C2—H2C	109.5
O23—Mo4—O16	71.65 (13)	H2B—C2—H2C	109.5
O2—Mo5—O6	105.3 (2)	N7—C3—H3A	109.5
O2—Mo5—O24	103.4 (2)	N7—C3—H3B	109.5
O6—Mo5—O24	101.05 (18)	H3A—C3—H3B	109.5
O2—Mo5—O23	100.18 (19)	N7—C3—H3C	109.5
O6—Mo5—O23	95.69 (18)	H3A—C3—H3C	109.5
O24—Mo5—O23	146.14 (16)	H3B—C3—H3C	109.5
O2—Mo5—O5	92.26 (18)	N1—C4—H4A	109.5
O6—Mo5—O5	159.77 (17)	N1—C4—H4B	109.5
O24—Mo5—O5	84.19 (16)	H4A—C4—H4B	109.5
O23—Mo5—O5	70.88 (15)	N1—C4—H4C	109.5
O2—Mo5—O18	163.33 (17)	H4A—C4—H4C	109.5
O6—Mo5—O18	90.76 (17)	H4B—C4—H4C	109.5
O24—Mo5—O18	77.34 (15)	N6—C5—H5A	109.5
O23—Mo5—O18	73.18 (14)	N6—C5—H5B	109.5
O5—Mo5—O18	71.17 (13)	H5A—C5—H5B	109.5
O14—Mo6—O21	105.2 (2)	N6—C5—H5C	109.5
O14—Mo6—O9	103.67 (18)	H5A—C5—H5C	109.5
O21—Mo6—O9	97.80 (18)	H5B—C5—H5C	109.5
O14—Mo6—O25	101.70 (19)	N5—C6—H6A	109.5
O21—Mo6—O25	97.43 (18)	N5—C6—H6B	109.5
O9—Mo6—O25	145.69 (16)	H6A—C6—H6B	109.5
O14—Mo6—O22	93.90 (17)	N5—C6—H6C	109.5
O21—Mo6—O22	160.92 (17)	H6A—C6—H6C	109.5
O9—Mo6—O22	77.61 (15)	H6B—C6—H6C	109.5
O25—Mo6—O22	77.99 (15)	N6—C7—H7A	109.5
O14—Mo6—O16	163.84 (17)	N6—C7—H7B	109.5
O21—Mo6—O16	90.86 (16)	H7A—C7—H7B	109.5
O9—Mo6—O16	75.43 (15)	N6—C7—H7C	109.5
O25—Mo6—O16	73.78 (14)	H7A—C7—H7C	109.5
O22—Mo6—O16	70.06 (13)	H7B—C7—H7C	109.5
O14—Mo6—Mo8	133.73 (15)	O31—C8—N7	124.7 (6)
O21—Mo6—Mo8	85.08 (13)	O31—C8—H8A	117.6
O9—Mo6—Mo8	119.76 (12)	N7—C8—H8A	117.6
O25—Mo6—Mo8	32.15 (12)	N4—C9—H9A	109.5
O22—Mo6—Mo8	81.39 (10)	N4—C9—H9B	109.5
O16—Mo6—Mo8	44.33 (9)	H9A—C9—H9B	109.5
O8—Mo7—O12	105.8 (2)	N4—C9—H9C	109.5
O8—Mo7—O5	101.20 (19)	H9A—C9—H9C	109.5
O12—Mo7—O5	97.24 (18)	H9B—C9—H9C	109.5
O8—Mo7—O13	100.81 (18)	N1—C10—H10A	109.5
O12—Mo7—O13	96.63 (18)	N1—C10—H10B	109.5
O5—Mo7—O13	149.61 (16)	H10A—C10—H10B	109.5
O8—Mo7—O16	97.71 (17)	N1—C10—H10C	109.5
O12—Mo7—O16	156.46 (16)	H10A—C10—H10C	109.5
O5—Mo7—O16	79.17 (15)	H10B—C10—H10C	109.5
O13—Mo7—O16	77.35 (15)	N7—C11—H11A	109.5
O8—Mo7—O18	172.92 (17)	N7—C11—H11B	109.5
O12—Mo7—O18	81.25 (16)	H11A—C11—H11B	109.5
O5—Mo7—O18	78.28 (15)	N7—C11—H11C	109.5
O13—Mo7—O18	77.30 (14)	H11A—C11—H11C	109.5
O16—Mo7—O18	75.23 (13)	H11B—C11—H11C	109.5
O8—Mo7—Mo8	88.97 (14)	O29—C12—N6	124.9 (6)
O12—Mo7—Mo8	133.03 (14)	O29—C12—H12A	117.6
O5—Mo7—Mo8	123.81 (12)	N6—C12—H12A	117.6
O13—Mo7—Mo8	36.39 (11)	O34—C13—N5	126.4 (6)
O16—Mo7—Mo8	44.64 (10)	O34—C13—H13A	116.8
O18—Mo7—Mo8	85.54 (9)	N5—C13—H13A	116.8
O7—Mo8—O4	106.3 (2)	N5—C14—H14A	109.5
O7—Mo8—O25	101.20 (18)	N5—C14—H14B	109.5
O4—Mo8—O25	101.52 (18)	H14A—C14—H14B	109.5
O7—Mo8—O13	97.64 (18)	N5—C14—H14C	109.5
O4—Mo8—O13	96.89 (17)	H14A—C14—H14C	109.5
O25—Mo8—O13	148.65 (16)	H14B—C14—H14C	109.5
O7—Mo8—O16	93.68 (16)	N3—C15—H15A	109.5
O4—Mo8—O16	159.16 (17)	N3—C15—H15B	109.5
O25—Mo8—O16	79.75 (15)	H15A—C15—H15B	109.5
O13—Mo8—O16	74.21 (15)	N3—C15—H15C	109.5
O7—Mo8—O20	163.57 (17)	H15A—C15—H15C	109.5
O4—Mo8—O20	87.78 (17)	H15B—C15—H15C	109.5
O25—Mo8—O20	83.73 (15)	O28—C16—N2	126.4 (7)
O13—Mo8—O20	71.79 (14)	O28—C16—H16A	116.8
O16—Mo8—O20	71.60 (13)	N2—C16—H16A	116.8
O7—Mo8—Mo7	84.92 (14)	N3—C17—H17A	109.5
O4—Mo8—Mo7	132.20 (13)	N3—C17—H17B	109.5
O25—Mo8—Mo7	122.09 (12)	H17A—C17—H17B	109.5
O13—Mo8—Mo7	35.35 (11)	N3—C17—H17C	109.5
O16—Mo8—Mo7	42.35 (10)	H17A—C17—H17C	109.5
O20—Mo8—Mo7	79.25 (9)	H17B—C17—H17C	109.5
O7—Mo8—Mo6	88.79 (13)	O32—C18—N4	124.9 (6)
O4—Mo8—Mo6	134.66 (14)	O32—C18—H18A	117.5
O25—Mo8—Mo6	33.14 (12)	N4—C18—H18A	117.5
O13—Mo8—Mo6	123.74 (11)	O27—C19—N1	124.0 (6)
O16—Mo8—Mo6	49.56 (10)	O27—C19—H19A	118.0
O20—Mo8—Mo6	87.02 (9)	N1—C19—H19A	118.0
Mo7—Mo8—Mo6	90.720 (16)	N4—C20—H20A	109.5
O6^i—Na1—O7	178.63 (17)	N4—C20—H20B	109.5
O6^i—Na1—O21	108.63 (16)	H20A—C20—H20B	109.5
O7—Na1—O21	72.70 (14)	N4—C20—H20C	109.5
O6^i—Na1—O1^i	73.22 (14)	H20A—C20—H20C	109.5
O7—Na1—O1^i	105.45 (15)	H20B—C20—H20C	109.5
O21—Na1—O1^i	178.10 (17)	O30—C21—N3	125.6 (6)
O6^i—Na1—O15^i	69.18 (14)	O30—C21—H21A	117.2
O7—Na1—O15^i	111.73 (16)	N3—C21—H21A	117.2

Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z.