Na+[Me3NB12Cl11]−·SO2: a rare example of a sodium–SO2 complex

Jenne, C.; van Lessen, V.

doi:10.1107/S2056989019004663

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Volume 75| Part 5| May 2019| Pages 607-610

https://doi.org/10.1107/S2056989019004663

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Na⁺[Me₃NB₁₂Cl₁₁]⁻·SO₂: a rare example of a sodium–SO₂ complex

Carsten Jenne ^a ^* and Valentin van Lessen ^a

^aAnorganische Chemie, Fakultät für Mathematik und Naturwissenschaften, Bergische Universität Wuppertal, Gaussstr. 20, 42119 Wuppertal, Germany
^*Correspondence e-mail: carsten.jenne@uni-wuppertal.de

Edited by A. M. Chippindale, University of Reading, England (Received 15 March 2019; accepted 5 April 2019; online 9 April 2019)

In the title compound, Na⁺[Me₃NB₁₂Cl₁₁]⁻·SO₂ [systematic name: sodium 1-(trimethylammonio)undecachloro-closo-dodecaborate sulfur dioxide], the SO₂ molecule is η¹-O-coordinated to the Na⁺ cation. Surprisingly, the SO₂ molecule is more weakly bound to sodium than is found in other sodium–SO₂ complexes and the SO₂ molecule is essentially undistorted compared to the structure of free SO₂. The Na⁺ cation has a coordination number of eight in a distorted twofold-capped trigonal prism and makes contacts to three individual boron cluster anions, resulting in an overall three-dimensional network. Although the number of known η¹-O-coordinated SO₂ complexes is growing, sodium-SO₂ complexes are still rare.

Keywords: boron cluster; crystal structure; sodium; sulfur dioxide; weakly coordinating anion.

CCDC reference: 1908217

1. Chemical context

Liquid sulfur dioxide is a polar but only very weakly coordinating solvent (Waddington, 1965 ), which is frequently used in organic and inorganic synthesis. The coordination chemistry in and of sulfur dioxide has been the topic of various reviews (Mingos, 1978 ; Ryan et al., 1981 ; Mews et al., 2000 ). Initially, only S- and η²-S,O-coordination of SO₂ with soft transition-metal centers were investigated, but it was subsequently shown that η¹-O-coordination of SO₂ is preferred with hard main-group and transition-metal cations. Theoretical studies established that the oxygen–metal cation bonds are purely ionic (Decken et al., 2009 ; Derendorf et al., 2010 ). Mews and co-workers crystallized metal hexafluoro arsenates M[AsF₆] (M = alkaline-earth and transition-metal cations) from liquid sulfur dioxide to obtain their SO₂ complexes (Mews et al., 2000). Unfortunately, the alkali-metal hexafluoro arsenates, M[AsF₆] (M = Li, Na, K), are almost insoluble in liquid sulfur dioxide and the corresponding SO₂ complexes remained elusive. Until recently, only two examples of alkali-metal–SO₂ complexes were known; namely, the η²-O,O bridged coordination complexes, [Li(OSO)_6/2][AlCl₄] (Simon et al., 1980 ) and [Na(OSO)_1.5][AlCl₄] (Peters et al., 1982 ), crystallized in the presence of the [AlCl₄]⁻ anion. Only after the introduction of modern weakly coordinating anions into sulfur dioxide coordination chemistry could alkali-metal sulfur dioxide complexes be studied intentionally. By using a large fluorinated aluminate anion, the crystal structure of [(OSO)₂Li{AlF(Al(OR)₃}Li{Al(OR)₄}] [R = C(CF₃)₃] (Cameron et al., 2010 ) was determined. In addition, use of halogenated closo-dodecaborates [B₁₂X₁₂]²⁻ (X = F–I) led to a systematic study of alkali-metal sulfur dioxide complexes (Derendorf et al., 2010). Halogenated closo-dodecaborates belong to the growing class of modern weakly coordinating anions (Knapp, 2013 ). The [Me₃NB₁₂Cl₁₁]⁻ anion represents a recent modification of the halogenated closo-dodecaborates and possesses a reduced charge of −1 (Bolli et al., 2014 ). This anion has been utilized very recently to stabilize a variety of reactive cations in the solid state (e.g. Bertocco et al., 2016 ) and has been applied in silver-free gold catalysis (Wegener et al., 2015 ). From a failed attempt to prepare [Et₃SiOS(H)OSiEt₃][Me₃NB₁₂Cl₁₁]⁻, we obtained single crystals of the title compound as a by-product. Na⁺[Me₃NB₁₂Cl₁₁]⁻·SO₂ is a rare example of a sodium–SO₂ complex, and its crystal structure is discussed herein.

2. Structural commentary

The title salt crystallizes with one SO₂ molecule per formula unit (Fig. 1). The SO₂ molecule is η¹-O-bonded to the Na⁺ cation, as is expected for SO₂ coordination to hard-metal centers. The Na⁺—O distance of 2.428 (4) Å is about 0.1 Å longer than the average Na⁺⋯O distance (of 2.34 Å) found in the Na₂[B₁₂X₁₂]·nSO₂ (X = H, Cl–I) complexes, which indicates weaker coordination. The S—O bonds are essentially of equal length [1.428 (3) and 1.412 (4) Å; Table 1] and very close to the values found in a free SO₂ molecule in either the solid state [1.4299 (3) Å; Grabowsky et al., 2012 ] or in the gas phase [1.4343 (3) Å; Holder & Fink, 1981 ]. This behaviour is in contrast to that observed in other coordination compounds with η¹-O-coordinated terminal SO₂ ligands (e.g. Mews et al., 2000) where lengthening of the S—O_c bond and shortening of the S—O_t bond occurs, as predicted by theoretical concepts (Decken et al., 2009; Derendorf et al., 2010). Thus, the current finding is in accord with weaker coordination of the SO₂ molecule to Na⁺ than is found in other SO₂ complexes of hard metal cations. In addition to coordinating to the SO₂ molecule, each sodium cation coordinates to seven of the eleven chlorine atoms of the boron cluster (Fig. 1).

Table 1
Selected geometric parameters (Å, °)

Cl4—Na1ⁱ	3.209 (2)	Cl5—B5	1.800 (5)
Cl5—Na1ⁱⁱ	3.050 (2)	Cl6—B6	1.801 (4)
Cl6—Na1ⁱⁱ	3.031 (2)	Cl7—B7	1.792 (5)
Cl7—Na1	3.179 (2)	Cl8—B8	1.783 (4)
Cl9—Na1ⁱ	2.975 (2)	Cl9—B9	1.803 (4)
Cl10—Na1ⁱⁱ	3.051 (2)	Cl10—B10	1.800 (5)
Cl12—Na1	2.870 (2)	Cl11—B11	1.779 (5)
S1—O1	1.428 (3)	Cl12—B12	1.796 (5)
S1—O2	1.412 (4)	N1—B1	1.600 (5)
Na1—O1	2.428 (4)	N1—C1	1.510 (5)
Cl2—B2	1.785 (5)	N1—C2	1.503 (5)
Cl3—B3	1.797 (4)	N1—C3	1.503 (6)
Cl4—B4	1.800 (5)

O1—S1—O2	116.8 (2)	S1—O1—Na1	147.0 (2)
Symmetry codes: (i) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) x+1, y, z.

Figure 1
Coordination sphere around the Na⁺ cation. The Na⁺ cation makes a total of eight contacts (dashed lines) to three individual boron cluster anions and to one sulfur dioxide molecule. Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are shown with arbitrary radii. Symmetry codes: (a) 1 + x, y, z; (b) −1 + x, − $[{1\over 2}]$ + y, $[{1\over 2}]$ − z.

In the packed structure, two sodium cations are coordinated in an η²-fashion to two chlorine atoms, while a third sodium cation is coordinated in an η³-manner to three chlorine atoms (Fig. 2). The Cl⋯Na⁺ distances range from 2.870 (2) to 3.209 (2) Å, and are, on average, longer than those in Na₂[B₁₂Cl₁₂]·4SO₂ (i.e. 3.052 vs 2.929 Å) (Derendorf et al., 2010), and are in accord with the sum of the van der Waals radius of chlorine (1.75 Å; Mantina et al., 2009 ) and the ionic radius of sodium (1.18 Å; Shannon, 1976 ) of 2.93 Å. However, when anisotropy of the van der Waals radius (Batsanov, 2001 ) is taken into account, the intermolecular distances are still in the expected range. The B—Cl bond lengths of the chlorine atoms coordinating to Na⁺ lie in the range 1.796 (5) to 1.803 (4) Å (av. 1.799 Å) and are only slightly longer than those of the non-coordinating chlorine atoms [1.779 (5) to 1.797 (4) Å, av. 1.786 Å]. It has previously been noted that the presence of strong Lewis acids, such as Me⁺ or R₃Si⁺, leads to a significant elongation of the B—Cl bonds by up to 0.1 Å (Bolli et al., 2010 , 2014; Kessler et al., 2010 ). Therefore, in the title compound, the Cl⋯Na⁺ interaction can be classified as weak and the singly charged [Me₃NB₁₂Cl₁₁]⁻ anion is more weakly coordinating towards Na⁺ than the doubly charged [B₁₂Cl₁₂]²⁻ anion.

Figure 2
Coordination sphere around one [Me₃NB₁₂Cl₁₁]⁻ anion. The boron cluster anions form a total of seven contacts (dashed lines) to three individual Na⁺ cations. Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms are shown with arbitrary radii. Symmetry codes: (a) 1 + x, y, z; (b) 1 − x, $[{1\over 2}]$ + y, $[{1\over 2}]$ − z.

3. Supramolecular features

The Na⁺ cation is surrounded by seven chlorine atoms from three different boron clusters and one oxygen atom from a SO₂ molecule, resulting in a total coordination number of 8 (Fig. 1) and giving rise to a three-dimensional network. The polyhedron around Na⁺ may be best described as a distorted twofold-capped trigonal prism (Fig. 3). The structure of the title compound is reminiscent of that of Ag[Me₃NB₁₂Cl₁₁]·SO₂ (Jenne & Wegener, 2018 ), although the coordination sphere around the metal cations is different in the two structures. The Na⁺⋯Cl contacts are weaker than the Ag⁺⋯Cl contacts and there is also only one SO₂ molecule per cation present in the title compound. The [Me₃NB₁₂Cl₁₁]⁻ anions are placed in a body-centered cubic arrangement (Fig. 4) with some of the intermolecular Cl⋯Cl distances being shorter than the sum of the van Waals radii (3.50 Å; Mantina et al., 2009). The [Me₃NB₁₂Cl₁₁]⁻ anions pack quite efficiently in the solid state and unlike in Na₂[B₁₂Cl₁₂]·4SO₂, where the structure contains two molecules of SO₂ per sodium cation to separate the doubly charged anions, only one SO₂ molecule is required in this case.

Figure 3
Distorted twofold-capped trigonal prism around the Na⁺ cation. Displacement ellipsoids are drawn at the 50% probability level.

Figure 4
Part of the crystal structure illustrating the distorted body-centered cubic arrangement of the [Me₃NB₁₂Cl₁₁]⁻ anions. Displacement ellipsoids are drawn at the 50% probability level and hydrogen atoms were omitted for clarity. Selected intermolecular contacts below 3.5 Å are shown [dashed lines; Cl2⋯Cl6 = 3.492 (14) Å and Cl8⋯Cl11 = 3.3760 (14) Å].

4. Database survey

The [Me₃NB₁₂Cl₁₁]⁻ anion was first reported in 2014 (Bolli et al., 2014) and a variety of crystal structures containing this anion have been published (e.g. Saleh et al., 2016 ; Bertocco et al., 2016; Bolli et al., 2017 ; Jenne & Wegener, 2018), in which the [Me₃NB₁₂Cl₁₁]⁻ anion is essentially identical to that reported in this study. Sodium complexes of fluorinated closo-dodecaborates were studied recently by Strauss and co-workers (Bukovsky et al., 2017a ,b ). Sodium–SO₂ complexes are still rare. Only the complex [Na(OSO)_1.5][AlCl₄] (Peters et al., 1982) and four complexes of the type Na₂[B₁₂X₁₂]·nSO₂ (X = H, Cl–I) (Derendorf et al., 2010) are known. The number of η¹-O-bonded SO₂ complexes is growing, although there is still some terra incognita in the Periodic Table. Structures published before the year 2000 are compiled in a review (Mews et al., 2000). Recent examples include alkali-metal (Cameron et al., 2010; Derendorf et al., 2010; Malischewski et al., 2016 ) and transition-metal complexes (Knapp & Mews, 2005 ; Akkuş et al., 2006 ; Decken et al., 2009; Aris et al., 2011 ; Malischewski et al., 2016, Jenne & Wegener, 2018).

5. Synthesis and crystallization

The crystals were obtained as a by-product from a reaction of [CPh₃][Me₃NB₁₂Cl₁₁] with Et₃SiH and SO₂ in 1,2-difluorobenzene designed to give [Et₃SiOS(H)OSiEt₃][Me₃NB₁₂Cl₁₁]⁻ in analogy to a published procedure (Kessler et al., 2010). Crystallization of the red–brown product from 1,2-difluorobenzene/n-pentane yielded the title compound as colorless crystals. The source of the sodium cation remains uncertain, but it may arise from an incomplete conversion of Na[Me₃NB₁₂Cl₁₁] to [CPh₃][Me₃NB₁₂Cl₁₁] (Bolli et al., 2014).

6. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2. H atoms were placed in calculated positions and refined as riding with C—H = 0.96 Å and U_iso(H) = 1.5U_eq(C).

Table 2
Experimental details

Crystal data
Chemical formula	Na⁺C₃H₉B₁₂Cl₁₁N⁻·SO₂
M_r	665.83
Crystal system, space group	Orthorhombic, P2₁2₁2₁
Temperature (K)	150
a, b, c (Å)	9.1943 (3), 12.9081 (4), 19.4486 (5)
V (Å³)	2308.19 (11)
Z	4
Radiation type	Mo Kα
μ (mm⁻¹)	1.44
Crystal size (mm)	0.06 × 0.05 × 0.05

Data collection
Diffractometer	Rigaku Oxford Diffraction Xcalibur, Eos, Gemini ultra
Absorption correction	Multi-scan (CrysAlis PRO; Rigaku OD, 2015 $[Rigaku OD (2015). CrysAlis PRO. Rigaku Oxford Diffraction, Yarnton, England.]$ )
T_min, T_max	0.984, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	10389, 4967, 4560
R_int	0.032
(sin θ/λ)_max (Å⁻¹)	0.639

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.031, 0.064, 1.04
No. of reflections	4967
No. of parameters	283
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.32, −0.44
Absolute structure	Flack x determined using 1789 quotients [(I⁺)−(I⁻)]/[(I⁺)+(I⁻)] (Parsons et al., 2013 ).
Absolute structure parameter	−0.09 (5)
Computer programs: CrysAlis PRO (Rigaku OD, 2015 $[Rigaku OD (2015). CrysAlis PRO. Rigaku Oxford Diffraction, Yarnton, England.]$ ), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 1999 ) and OLEX2 (Dolomanov et al., 2009 ).

Supporting information

CCDC reference: 1908217

Crystal structure: contains datablock I. DOI: https://doi.org/10.1107/S2056989019004663/cq2030sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2056989019004663/cq2030Isup2.hkl

checkCIF report

Computing details top

Data collection: CrysAlis PRO (Rigaku OD, 2015); cell refinement: CrysAlis PRO (Rigaku OD, 2015); data reduction: CrysAlis PRO (Rigaku OD, 2015); program(s) used to solve structure: ShelXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg & Putz, 1999); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Sodium 1-(trimethylammonio)undecachloro-closo-dodecaborate sulfur dioxide top

Crystal data top

Na⁺·C₃H₉B₁₂Cl₁₁N⁻·SO₂	D_x = 1.916 Mg m⁻³
M_r = 665.83	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P2₁2₁2₁	Cell parameters from 4780 reflections
a = 9.1943 (3) Å	θ = 2.6–28.9°
b = 12.9081 (4) Å	µ = 1.44 mm⁻¹
c = 19.4486 (5) Å	T = 150 K
V = 2308.19 (11) Å³	Block, colourless
Z = 4	0.06 × 0.05 × 0.05 mm
F(000) = 1296

Data collection top

Rigaku Oxford Diffraction Xcalibur, Eos, Gemini ultra diffractometer	4967 independent reflections
Radiation source: fine-focus sealed X-ray tube, Enhance (Mo) X-ray Source	4560 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
Detector resolution: 16.2705 pixels mm^-1	θ_max = 27.0°, θ_min = 1.9°
ω scans	h = −11→8
Absorption correction: multi-scan (CrysAlisPro; Rigaku OD, 2015)	k = −16→12
T_min = 0.984, T_max = 1.000	l = −24→24
10389 measured reflections

Refinement top

Refinement on F²	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.031	w = 1/[σ²(F_o²) + (0.026P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.064	(Δ/σ)_max < 0.001
S = 1.04	Δρ_max = 0.32 e Å⁻³
4967 reflections	Δρ_min = −0.44 e Å⁻³
283 parameters	Absolute structure: Flack x determined using 1789 quotients [(I⁺)-(I^-)]/[(I⁺)+(I^-)] (Parsons et al., 2013).
0 restraints	Absolute structure parameter: −0.09 (5)
Primary atom site location: structure-invariant direct methods

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cl3	0.54490 (10)	0.60120 (8)	0.50279 (5)	0.0174 (2)
Cl6	1.01248 (10)	0.32550 (8)	0.37747 (5)	0.0167 (2)
Cl5	1.06356 (11)	0.58650 (8)	0.30581 (5)	0.0194 (2)
Cl8	0.43371 (11)	0.66888 (8)	0.33691 (5)	0.0183 (2)
Cl2	0.68060 (11)	0.32798 (8)	0.49788 (5)	0.0183 (2)
Cl4	0.79016 (11)	0.76099 (7)	0.38771 (5)	0.0181 (2)
Cl10	0.88045 (11)	0.39211 (9)	0.21212 (5)	0.0189 (2)
Cl11	0.65146 (11)	0.23842 (8)	0.32551 (5)	0.0171 (2)
Cl12	0.49042 (11)	0.44663 (8)	0.22120 (5)	0.0186 (2)
Cl9	0.74597 (11)	0.66169 (8)	0.21672 (5)	0.0197 (2)
Cl7	0.37526 (11)	0.40537 (8)	0.39531 (5)	0.0172 (2)
S1	0.11196 (13)	0.57107 (9)	0.11604 (6)	0.0263 (3)
Na1	0.19934 (19)	0.38485 (15)	0.25524 (9)	0.0273 (4)
O1	0.1870 (3)	0.4912 (2)	0.15243 (16)	0.0274 (8)
N1	0.9459 (4)	0.5473 (3)	0.49125 (17)	0.0160 (7)
B1	0.8383 (5)	0.5239 (4)	0.4285 (2)	0.0108 (9)
B6	0.8625 (5)	0.4148 (4)	0.3718 (2)	0.0112 (9)
B10	0.7980 (5)	0.4478 (4)	0.2875 (2)	0.0127 (9)
B7	0.5540 (5)	0.4545 (3)	0.3782 (2)	0.0122 (9)
B2	0.7093 (5)	0.4170 (4)	0.4290 (2)	0.0118 (9)
C1	0.8866 (5)	0.6276 (4)	0.5402 (2)	0.0263 (11)
H1A	0.860583	0.688810	0.515050	0.039*
H1B	0.959336	0.644482	0.573805	0.039*
H1C	0.802058	0.600510	0.562979	0.039*
B5	0.8909 (5)	0.5418 (4)	0.3378 (2)	0.0123 (9)
B4	0.7569 (5)	0.6247 (3)	0.3761 (2)	0.0128 (9)
B9	0.7332 (5)	0.5772 (3)	0.2902 (2)	0.0122 (9)
B11	0.6889 (5)	0.3712 (4)	0.3426 (2)	0.0130 (10)
B3	0.6441 (4)	0.5479 (4)	0.4315 (2)	0.0106 (9)
C2	1.0899 (5)	0.5885 (4)	0.4670 (2)	0.0314 (12)
H2A	1.134523	0.539081	0.436710	0.047*
H2B	1.152153	0.600198	0.505865	0.047*
H2C	1.075159	0.652549	0.442895	0.047*
B8	0.5822 (5)	0.5814 (4)	0.3473 (2)	0.0117 (9)
C3	0.9774 (6)	0.4535 (4)	0.5346 (3)	0.0359 (13)
H3A	0.889899	0.431478	0.557199	0.054*
H3B	1.049605	0.470500	0.568433	0.054*
H3C	1.012930	0.398568	0.505844	0.054*
B12	0.6101 (5)	0.4728 (3)	0.2921 (2)	0.0120 (9)
O2	0.1730 (4)	0.6032 (3)	0.05292 (16)	0.0382 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cl3	0.0191 (5)	0.0190 (5)	0.0140 (5)	0.0024 (4)	0.0047 (4)	−0.0039 (4)
Cl6	0.0121 (5)	0.0151 (5)	0.0231 (5)	0.0039 (4)	−0.0010 (4)	−0.0001 (4)
Cl5	0.0131 (5)	0.0220 (6)	0.0231 (5)	−0.0063 (4)	0.0040 (4)	−0.0007 (4)
Cl8	0.0164 (5)	0.0185 (5)	0.0200 (5)	0.0073 (4)	−0.0030 (4)	0.0016 (4)
Cl2	0.0239 (5)	0.0172 (5)	0.0138 (5)	−0.0002 (4)	0.0010 (4)	0.0054 (4)
Cl4	0.0229 (6)	0.0098 (5)	0.0217 (5)	−0.0018 (4)	0.0002 (4)	−0.0018 (4)
Cl10	0.0191 (5)	0.0234 (6)	0.0141 (5)	−0.0009 (4)	0.0052 (4)	−0.0054 (4)
Cl11	0.0212 (5)	0.0117 (5)	0.0183 (5)	−0.0027 (4)	−0.0042 (4)	−0.0031 (4)
Cl12	0.0170 (5)	0.0256 (6)	0.0131 (5)	−0.0022 (4)	−0.0049 (4)	−0.0010 (4)
Cl9	0.0252 (5)	0.0191 (6)	0.0149 (5)	−0.0024 (4)	0.0008 (4)	0.0070 (4)
Cl7	0.0099 (5)	0.0225 (5)	0.0193 (5)	−0.0037 (4)	0.0022 (4)	0.0002 (5)
S1	0.0254 (6)	0.0214 (6)	0.0322 (7)	0.0024 (5)	−0.0012 (5)	0.0017 (5)
Na1	0.0230 (9)	0.0285 (11)	0.0303 (10)	0.0011 (8)	0.0057 (8)	0.0049 (8)
O1	0.0253 (17)	0.0265 (19)	0.0303 (19)	−0.0009 (15)	−0.0034 (15)	0.0026 (15)
N1	0.0158 (17)	0.0180 (19)	0.0140 (18)	0.0008 (15)	−0.0060 (15)	−0.0035 (15)
B1	0.011 (2)	0.009 (2)	0.012 (2)	0.0009 (17)	−0.0018 (19)	−0.0025 (18)
B6	0.010 (2)	0.013 (2)	0.010 (2)	0.0026 (18)	0.0006 (18)	−0.0012 (18)
B10	0.009 (2)	0.016 (2)	0.013 (2)	−0.0010 (18)	−0.0003 (18)	−0.0010 (19)
B7	0.008 (2)	0.015 (2)	0.014 (2)	−0.0011 (18)	−0.0003 (19)	0.0004 (18)
B2	0.013 (2)	0.013 (2)	0.009 (2)	−0.0019 (18)	−0.0010 (18)	0.0008 (18)
C1	0.027 (2)	0.032 (3)	0.020 (2)	0.005 (2)	−0.008 (2)	−0.012 (2)
B5	0.011 (2)	0.014 (2)	0.012 (2)	−0.0023 (18)	0.0009 (19)	−0.0007 (18)
B4	0.015 (2)	0.009 (2)	0.015 (2)	−0.0027 (18)	0.0004 (19)	0.0014 (17)
B9	0.013 (2)	0.014 (2)	0.009 (2)	−0.0013 (19)	0.0012 (18)	0.0028 (18)
B11	0.013 (2)	0.015 (2)	0.011 (2)	−0.0015 (18)	−0.0022 (18)	−0.0028 (18)
B3	0.009 (2)	0.012 (2)	0.011 (2)	0.0011 (18)	0.0007 (18)	0.0003 (18)
C2	0.017 (2)	0.049 (4)	0.029 (3)	−0.007 (2)	−0.005 (2)	−0.012 (2)
B8	0.011 (2)	0.011 (2)	0.013 (2)	−0.0001 (18)	−0.0029 (18)	0.0032 (18)
C3	0.054 (4)	0.026 (3)	0.028 (3)	0.001 (2)	−0.028 (2)	0.004 (2)
B12	0.013 (2)	0.014 (2)	0.009 (2)	−0.0008 (18)	−0.0004 (19)	0.0007 (18)
O2	0.049 (2)	0.041 (2)	0.0248 (19)	−0.0089 (19)	−0.0077 (16)	0.0012 (17)

Geometric parameters (Å, º) top

Cl4—Na1ⁱ	3.209 (2)	B6—B5	1.787 (6)
Cl5—Na1ⁱⁱ	3.050 (2)	B6—B11	1.785 (6)
Cl6—Na1ⁱⁱ	3.031 (2)	B10—B5	1.777 (6)
Cl7—Na1	3.179 (2)	B10—B9	1.774 (6)
Cl9—Na1ⁱ	2.975 (2)	B10—B11	1.770 (6)
Cl10—Na1ⁱⁱ	3.051 (2)	B10—B12	1.760 (6)
Cl12—Na1	2.870 (2)	B7—B2	1.802 (6)
S1—O1	1.428 (3)	B7—B11	1.782 (6)
S1—O2	1.412 (4)	B7—B3	1.792 (6)
Na1—O1	2.428 (4)	B7—B8	1.764 (6)
Cl2—B2	1.785 (5)	B7—B12	1.769 (6)
Cl3—B3	1.797 (4)	B2—B11	1.791 (6)
Cl4—B4	1.800 (5)	B2—B3	1.794 (7)
Cl5—B5	1.800 (5)	C1—H1A	0.9600
Cl6—B6	1.801 (4)	C1—H1B	0.9600
Cl7—B7	1.792 (5)	C1—H1C	0.9600
Cl8—B8	1.783 (4)	B5—B4	1.794 (6)
Cl9—B9	1.803 (4)	B5—B9	1.779 (6)
Cl10—B10	1.800 (5)	B4—B9	1.792 (6)
Cl11—B11	1.779 (5)	B4—B3	1.794 (6)
Cl12—B12	1.796 (5)	B4—B8	1.791 (6)
N1—B1	1.600 (5)	B9—B8	1.779 (6)
N1—C1	1.510 (5)	B9—B12	1.760 (6)
N1—C2	1.503 (5)	B11—B12	1.792 (7)
N1—C3	1.503 (6)	B3—B8	1.785 (6)
B1—B6	1.803 (6)	C2—H2A	0.9600
B1—B2	1.820 (6)	C2—H2B	0.9600
B1—B5	1.844 (7)	C2—H2C	0.9600
B1—B4	1.813 (6)	B8—B12	1.785 (6)
B1—B3	1.813 (6)	C3—H3A	0.9600
B6—B10	1.794 (6)	C3—H3B	0.9600
B6—B2	1.795 (6)	C3—H3C	0.9600

B6—Cl6—Na1ⁱⁱ	102.94 (15)	H1A—C1—H1B	109.5
B5—Cl5—Na1ⁱⁱ	101.48 (16)	H1A—C1—H1C	109.5
B4—Cl4—Na1ⁱ	112.56 (16)	H1B—C1—H1C	109.5
B10—Cl10—Na1ⁱⁱ	101.13 (15)	Cl5—B5—B1	127.0 (3)
B12—Cl12—Na1	116.54 (15)	B6—B5—Cl5	123.4 (3)
B9—Cl9—Na1ⁱ	116.86 (15)	B6—B5—B1	59.5 (2)
B7—Cl7—Na1	109.68 (16)	B6—B5—B4	107.0 (3)
O1—S1—O2	116.8 (2)	B10—B5—Cl5	116.9 (3)
Cl6ⁱⁱⁱ—Na1—Cl5ⁱⁱⁱ	74.39 (5)	B10—B5—B1	108.3 (3)
Cl6ⁱⁱⁱ—Na1—Cl4^iv	124.79 (7)	B10—B5—B6	60.4 (2)
Cl6ⁱⁱⁱ—Na1—Cl10ⁱⁱⁱ	71.26 (5)	B10—B5—B4	107.8 (3)
Cl6ⁱⁱⁱ—Na1—Cl7	68.74 (4)	B10—B5—B9	59.8 (2)
Cl5ⁱⁱⁱ—Na1—Cl4^iv	135.81 (7)	B4—B5—Cl5	123.9 (3)
Cl5ⁱⁱⁱ—Na1—Cl10ⁱⁱⁱ	70.67 (5)	B4—B5—B1	59.8 (2)
Cl5ⁱⁱⁱ—Na1—Cl7	82.00 (5)	B9—B5—Cl5	117.2 (3)
Cl10ⁱⁱⁱ—Na1—Cl4^iv	78.81 (5)	B9—B5—B1	108.4 (3)
Cl10ⁱⁱⁱ—Na1—Cl7	136.21 (6)	B9—B5—B6	108.0 (3)
Cl12—Na1—Cl6ⁱⁱⁱ	141.23 (7)	B9—B5—B4	60.2 (3)
Cl12—Na1—Cl5ⁱⁱⁱ	102.65 (6)	Cl4—B4—B1	124.1 (3)
Cl12—Na1—Cl4^iv	84.87 (5)	B5—B4—Cl4	121.2 (3)
Cl12—Na1—Cl10ⁱⁱⁱ	145.50 (7)	B5—B4—B1	61.5 (3)
Cl12—Na1—Cl9^iv	98.84 (6)	B5—B4—B3	108.5 (3)
Cl12—Na1—Cl7	72.55 (5)	B9—B4—Cl4	118.1 (3)
Cl9^iv—Na1—Cl6ⁱⁱⁱ	72.98 (5)	B9—B4—B1	109.1 (3)
Cl9^iv—Na1—Cl5ⁱⁱⁱ	146.78 (7)	B9—B4—B5	59.5 (3)
Cl9^iv—Na1—Cl4^iv	70.81 (5)	B9—B4—B3	107.4 (3)
Cl9^iv—Na1—Cl10ⁱⁱⁱ	104.04 (6)	B3—B4—Cl4	124.3 (3)
Cl9^iv—Na1—Cl7	80.65 (5)	B3—B4—B1	60.3 (2)
Cl7—Na1—Cl4^iv	140.24 (6)	B8—B4—Cl4	119.8 (3)
O1—Na1—Cl6ⁱⁱⁱ	139.66 (10)	B8—B4—B1	108.8 (3)
O1—Na1—Cl5ⁱⁱⁱ	76.35 (9)	B8—B4—B5	107.5 (3)
O1—Na1—Cl4^iv	64.50 (9)	B8—B4—B9	59.5 (2)
O1—Na1—Cl10ⁱⁱⁱ	73.23 (9)	B8—B4—B3	59.8 (2)
O1—Na1—Cl12	72.33 (9)	B10—B9—Cl9	121.6 (3)
O1—Na1—Cl9^iv	134.94 (10)	B10—B9—B5	60.0 (3)
O1—Na1—Cl7	133.02 (10)	B10—B9—B4	108.0 (3)
S1—O1—Na1	147.0 (2)	B10—B9—B8	108.1 (3)
C1—N1—B1	112.8 (3)	B5—B9—Cl9	121.0 (3)
C2—N1—B1	111.8 (3)	B5—B9—B4	60.3 (3)
C2—N1—C1	105.9 (3)	B5—B9—B8	108.6 (3)
C2—N1—C3	106.9 (4)	B4—B9—Cl9	121.6 (3)
C3—N1—B1	113.3 (3)	B8—B9—Cl9	121.8 (3)
C3—N1—C1	105.6 (4)	B8—B9—B4	60.2 (2)
N1—B1—B6	122.5 (3)	B12—B9—Cl9	121.4 (3)
N1—B1—B2	122.8 (3)	B12—B9—B10	59.7 (2)
N1—B1—B5	123.0 (3)	B12—B9—B5	108.5 (3)
N1—B1—B4	123.3 (3)	B12—B9—B4	108.7 (3)
N1—B1—B3	123.5 (3)	B12—B9—B8	60.6 (2)
B6—B1—B2	59.4 (2)	Cl11—B11—B6	122.4 (3)
B6—B1—B5	58.7 (2)	Cl11—B11—B7	121.3 (3)
B6—B1—B4	105.5 (3)	Cl11—B11—B2	120.9 (3)
B6—B1—B3	105.9 (3)	Cl11—B11—B12	121.7 (3)
B2—B1—B5	105.7 (3)	B6—B11—B2	60.3 (2)
B4—B1—B2	106.2 (3)	B6—B11—B12	107.7 (3)
B4—B1—B5	58.7 (2)	B10—B11—Cl11	122.4 (3)
B3—B1—B2	59.2 (2)	B10—B11—B6	60.6 (2)
B3—B1—B5	105.5 (3)	B10—B11—B7	107.0 (3)
B3—B1—B4	59.3 (2)	B10—B11—B2	108.9 (3)
Cl6—B6—B1	123.8 (3)	B10—B11—B12	59.2 (2)
B10—B6—Cl6	117.5 (3)	B7—B11—B6	108.0 (3)
B10—B6—B1	109.4 (3)	B7—B11—B2	60.6 (3)
B10—B6—B2	107.7 (3)	B7—B11—B12	59.3 (3)
B2—B6—Cl6	124.9 (3)	B2—B11—B12	108.4 (3)
B2—B6—B1	60.8 (2)	Cl3—B3—B1	126.1 (3)
B5—B6—Cl6	119.9 (3)	B7—B3—Cl3	118.0 (3)
B5—B6—B1	61.8 (3)	B7—B3—B1	108.8 (3)
B5—B6—B10	59.5 (3)	B7—B3—B2	60.3 (2)
B5—B6—B2	109.2 (3)	B7—B3—B4	107.0 (3)
B11—B6—Cl6	120.2 (3)	B2—B3—Cl3	123.5 (3)
B11—B6—B1	109.3 (3)	B2—B3—B1	60.6 (2)
B11—B6—B10	59.3 (2)	B2—B3—B4	108.1 (3)
B11—B6—B2	60.1 (2)	B4—B3—Cl3	123.0 (3)
B11—B6—B5	107.6 (3)	B4—B3—B1	60.4 (2)
B6—B10—Cl10	120.7 (3)	B8—B3—Cl3	116.9 (3)
B5—B10—Cl10	121.2 (3)	B8—B3—B1	109.0 (3)
B5—B10—B6	60.1 (3)	B8—B3—B7	59.1 (3)
B9—B10—Cl10	122.8 (3)	B8—B3—B2	108.1 (3)
B9—B10—B6	107.9 (3)	B8—B3—B4	60.0 (2)
B9—B10—B5	60.1 (3)	N1—C2—H2A	109.5
B11—B10—Cl10	120.6 (3)	N1—C2—H2B	109.5
B11—B10—B6	60.1 (3)	N1—C2—H2C	109.5
B11—B10—B5	108.7 (3)	H2A—C2—H2B	109.5
B11—B10—B9	108.5 (3)	H2A—C2—H2C	109.5
B12—B10—Cl10	121.9 (3)	H2B—C2—H2C	109.5
B12—B10—B6	108.8 (3)	Cl8—B8—B4	121.7 (3)
B12—B10—B5	108.6 (3)	Cl8—B8—B3	120.1 (3)
B12—B10—B9	59.7 (3)	Cl8—B8—B12	122.6 (3)
B12—B10—B11	61.0 (3)	B7—B8—Cl8	121.0 (3)
Cl7—B7—B2	122.0 (3)	B7—B8—B4	108.4 (3)
B11—B7—Cl7	119.8 (3)	B7—B8—B9	107.4 (3)
B11—B7—B2	60.0 (3)	B7—B8—B3	60.6 (2)
B11—B7—B3	108.0 (3)	B7—B8—B12	59.8 (3)
B3—B7—Cl7	123.7 (3)	B9—B8—Cl8	123.1 (3)
B3—B7—B2	59.9 (2)	B9—B8—B4	60.3 (2)
B8—B7—Cl7	121.7 (3)	B9—B8—B3	108.4 (3)
B8—B7—B2	108.6 (3)	B9—B8—B12	59.2 (2)
B8—B7—B11	109.0 (3)	B3—B8—B4	60.2 (2)
B8—B7—B3	60.3 (2)	B12—B8—B4	107.7 (3)
B8—B7—B12	60.7 (3)	B12—B8—B3	108.4 (3)
B12—B7—Cl7	119.4 (3)	N1—C3—H3A	109.5
B12—B7—B2	108.9 (3)	N1—C3—H3B	109.5
B12—B7—B11	60.6 (3)	N1—C3—H3C	109.5
B12—B7—B3	108.8 (3)	H3A—C3—H3B	109.5
Cl2—B2—B1	126.1 (3)	H3A—C3—H3C	109.5
Cl2—B2—B6	124.9 (3)	H3B—C3—H3C	109.5
Cl2—B2—B7	117.8 (3)	B10—B12—Cl12	121.9 (3)
Cl2—B2—B11	118.5 (3)	B10—B12—B7	108.0 (3)
Cl2—B2—B3	122.5 (3)	B10—B12—B9	60.5 (3)
B6—B2—B1	59.8 (2)	B10—B12—B11	59.8 (3)
B6—B2—B7	106.6 (3)	B10—B12—B8	108.4 (3)
B7—B2—B1	108.0 (3)	B7—B12—Cl12	121.5 (3)
B11—B2—B1	108.3 (3)	B7—B12—B11	60.1 (3)
B11—B2—B6	59.7 (2)	B7—B12—B8	59.5 (3)
B11—B2—B7	59.5 (3)	B9—B12—Cl12	121.5 (3)
B11—B2—B3	107.5 (3)	B9—B12—B7	108.0 (3)
B3—B2—B1	60.2 (2)	B9—B12—B11	108.2 (3)
B3—B2—B6	107.1 (3)	B9—B12—B8	60.2 (3)
B3—B2—B7	59.8 (2)	B11—B12—Cl12	122.0 (3)
N1—C1—H1A	109.5	B8—B12—Cl12	121.4 (3)
N1—C1—H1B	109.5	B8—B12—B11	107.6 (3)
N1—C1—H1C	109.5

Cl3—B3—B8—Cl8	2.8 (5)	B2—B1—B3—B4	−137.0 (3)
Cl3—B3—B8—B7	−108.0 (3)	B2—B1—B3—B8	−100.5 (3)
Cl3—B3—B8—B4	114.4 (3)	B2—B6—B10—Cl10	−146.9 (3)
Cl3—B3—B8—B9	152.0 (3)	B2—B6—B10—B5	102.3 (3)
Cl3—B3—B8—B12	−145.3 (3)	B2—B6—B10—B9	64.5 (4)
Cl6—B6—B10—Cl10	0.6 (5)	B2—B6—B10—B11	−37.0 (3)
Cl6—B6—B10—B5	−110.2 (3)	B2—B6—B10—B12	1.2 (4)
Cl6—B6—B10—B9	−148.0 (3)	B2—B6—B5—Cl5	155.9 (3)
Cl6—B6—B10—B11	110.5 (3)	B2—B6—B5—B1	39.3 (3)
Cl6—B6—B10—B12	148.7 (3)	B2—B6—B5—B10	−99.6 (3)
Cl6—B6—B2—Cl2	−2.3 (5)	B2—B6—B5—B4	1.5 (4)
Cl6—B6—B2—B1	112.8 (4)	B2—B6—B5—B9	−61.9 (4)
Cl6—B6—B2—B7	−145.7 (3)	B2—B6—B11—Cl11	−109.7 (4)
Cl6—B6—B2—B11	−107.8 (4)	B2—B6—B11—B10	138.6 (3)
Cl6—B6—B2—B3	151.6 (3)	B2—B6—B11—B7	38.8 (3)
Cl6—B6—B5—Cl5	1.8 (5)	B2—B6—B11—B12	101.4 (3)
Cl6—B6—B5—B1	−114.9 (3)	B2—B7—B11—Cl11	110.3 (4)
Cl6—B6—B5—B10	106.2 (3)	B2—B7—B11—B6	−38.6 (3)
Cl6—B6—B5—B4	−152.6 (3)	B2—B7—B11—B10	−102.5 (3)
Cl6—B6—B5—B9	143.9 (3)	B2—B7—B11—B12	−139.0 (3)
Cl6—B6—B11—Cl11	5.7 (5)	B2—B7—B3—Cl3	−114.6 (3)
Cl6—B6—B11—B10	−106.0 (3)	B2—B7—B3—B1	37.8 (3)
Cl6—B6—B11—B7	154.2 (3)	B2—B7—B3—B4	101.6 (3)
Cl6—B6—B11—B2	115.4 (3)	B2—B7—B3—B8	139.2 (3)
Cl6—B6—B11—B12	−143.1 (3)	B2—B7—B8—Cl8	−146.1 (3)
Cl5—B5—B4—Cl4	−2.0 (5)	B2—B7—B8—B4	1.5 (4)
Cl5—B5—B4—B1	−116.6 (4)	B2—B7—B8—B9	65.1 (4)
Cl5—B5—B4—B9	104.5 (4)	B2—B7—B8—B3	−36.6 (3)
Cl5—B5—B4—B3	−155.8 (3)	B2—B7—B8—B12	101.7 (3)
Cl5—B5—B4—B8	141.1 (3)	B2—B7—B12—Cl12	148.3 (3)
Cl5—B5—B9—Cl9	−4.2 (5)	B2—B7—B12—B10	−0.1 (4)
Cl5—B5—B9—B10	106.8 (3)	B2—B7—B12—B9	−64.1 (4)
Cl5—B5—B9—B4	−115.4 (3)	B2—B7—B12—B11	36.9 (3)
Cl5—B5—B9—B8	−152.6 (3)	B2—B7—B12—B8	−101.3 (3)
Cl5—B5—B9—B12	143.1 (3)	B2—B11—B12—Cl12	−147.6 (3)
Cl8—B8—B12—Cl12	1.0 (5)	B2—B11—B12—B10	101.5 (3)
Cl8—B8—B12—B10	149.9 (3)	B2—B11—B12—B7	−37.0 (3)
Cl8—B8—B12—B7	−109.5 (4)	B2—B11—B12—B9	63.7 (4)
Cl8—B8—B12—B9	111.9 (4)	B2—B11—B12—B8	0.1 (4)
Cl8—B8—B12—B11	−146.9 (3)	B2—B3—B8—Cl8	147.5 (3)
Cl2—B2—B11—Cl11	−3.7 (5)	B2—B3—B8—B7	36.7 (3)
Cl2—B2—B11—B6	−115.9 (3)	B2—B3—B8—B4	−100.9 (3)
Cl2—B2—B11—B10	−153.4 (3)	B2—B3—B8—B9	−63.3 (4)
Cl2—B2—B11—B7	107.3 (3)	B2—B3—B8—B12	−0.6 (4)
Cl2—B2—B11—B12	143.8 (3)	C1—N1—B1—B6	−167.5 (4)
Cl2—B2—B3—Cl3	0.1 (5)	C1—N1—B1—B2	−95.3 (4)
Cl2—B2—B3—B1	116.1 (4)	C1—N1—B1—B5	121.3 (4)
Cl2—B2—B3—B7	−105.7 (4)	C1—N1—B1—B4	49.6 (5)
Cl2—B2—B3—B4	154.7 (3)	C1—N1—B1—B3	−23.1 (5)
Cl2—B2—B3—B8	−141.8 (3)	B5—B1—B6—Cl6	108.7 (4)
Cl4—B4—B9—Cl9	1.4 (5)	B5—B1—B6—B10	−36.9 (3)
Cl4—B4—B9—B10	149.3 (3)	B5—B1—B6—B2	−136.8 (3)
Cl4—B4—B9—B5	111.5 (3)	B5—B1—B6—B11	−100.1 (3)
Cl4—B4—B9—B8	−109.8 (3)	B5—B1—B2—Cl2	150.7 (3)
Cl4—B4—B9—B12	−147.4 (3)	B5—B1—B2—B6	37.4 (3)
Cl4—B4—B3—Cl3	2.9 (5)	B5—B1—B2—B7	−61.7 (4)
Cl4—B4—B3—B1	−113.1 (4)	B5—B1—B2—B11	1.2 (4)
Cl4—B4—B3—B7	144.6 (3)	B5—B1—B2—B3	−99.0 (3)
Cl4—B4—B3—B2	−151.8 (3)	B5—B1—B4—Cl4	−110.1 (4)
Cl4—B4—B3—B8	107.3 (4)	B5—B1—B4—B9	36.8 (3)
Cl4—B4—B8—Cl8	−5.6 (5)	B5—B1—B4—B3	136.5 (3)
Cl4—B4—B8—B7	−153.0 (3)	B5—B1—B4—B8	100.2 (3)
Cl4—B4—B8—B9	107.1 (3)	B5—B1—B3—Cl3	−148.8 (3)
Cl4—B4—B8—B3	−114.7 (4)	B5—B1—B3—B7	61.6 (4)
Cl4—B4—B8—B12	143.8 (3)	B5—B1—B3—B2	99.3 (3)
Cl10—B10—B5—Cl5	5.2 (5)	B5—B1—B3—B4	−37.7 (3)
Cl10—B10—B5—B1	−146.4 (3)	B5—B1—B3—B8	−1.2 (4)
Cl10—B10—B5—B6	−109.8 (4)	B5—B6—B10—Cl10	110.7 (3)
Cl10—B10—B5—B4	150.3 (3)	B5—B6—B10—B9	−37.8 (3)
Cl10—B10—B5—B9	112.5 (4)	B5—B6—B10—B11	−139.3 (3)
Cl10—B10—B9—Cl9	0.1 (5)	B5—B6—B10—B12	−101.1 (3)
Cl10—B10—B9—B5	−109.9 (4)	B5—B6—B2—Cl2	−154.9 (3)
Cl10—B10—B9—B4	−147.8 (3)	B5—B6—B2—B1	−39.7 (3)
Cl10—B10—B9—B8	148.5 (3)	B5—B6—B2—B7	61.8 (4)
Cl10—B10—B9—B12	110.5 (4)	B5—B6—B2—B11	99.7 (3)
Cl10—B10—B11—Cl11	−1.7 (5)	B5—B6—B2—B3	−1.0 (4)
Cl10—B10—B11—B6	110.1 (3)	B5—B6—B11—Cl11	147.8 (3)
Cl10—B10—B11—B7	−148.5 (3)	B5—B6—B11—B10	36.1 (3)
Cl10—B10—B11—B2	147.5 (3)	B5—B6—B11—B7	−63.7 (4)
Cl10—B10—B11—B12	−111.9 (4)	B5—B6—B11—B2	−102.5 (3)
Cl10—B10—B12—Cl12	−1.3 (5)	B5—B6—B11—B12	−1.1 (4)
Cl10—B10—B12—B7	147.0 (3)	B5—B10—B9—Cl9	110.0 (4)
Cl10—B10—B12—B9	−112.1 (4)	B5—B10—B9—B4	−37.9 (3)
Cl10—B10—B12—B11	109.9 (4)	B5—B10—B9—B8	−101.6 (3)
Cl10—B10—B12—B8	−150.0 (3)	B5—B10—B9—B12	−139.5 (3)
Cl11—B11—B12—Cl12	−0.5 (5)	B5—B10—B11—Cl11	−148.4 (3)
Cl11—B11—B12—B10	−111.4 (4)	B5—B10—B11—B6	−36.6 (3)
Cl11—B11—B12—B7	110.1 (4)	B5—B10—B11—B7	64.8 (4)
Cl11—B11—B12—B9	−149.2 (3)	B5—B10—B11—B2	0.8 (4)
Cl11—B11—B12—B8	147.2 (3)	B5—B10—B11—B12	101.3 (3)
Cl9—B9—B8—Cl8	−0.4 (5)	B5—B10—B12—Cl12	147.3 (3)
Cl9—B9—B8—B7	147.6 (3)	B5—B10—B12—B7	−64.5 (4)
Cl9—B9—B8—B4	−110.8 (4)	B5—B10—B12—B9	36.4 (3)
Cl9—B9—B8—B3	−148.4 (3)	B5—B10—B12—B11	−101.6 (3)
Cl9—B9—B8—B12	110.7 (4)	B5—B10—B12—B8	−1.5 (4)
Cl9—B9—B12—Cl12	−0.7 (5)	B5—B4—B9—Cl9	−110.2 (4)
Cl9—B9—B12—B10	110.8 (4)	B5—B4—B9—B10	37.8 (3)
Cl9—B9—B12—B7	−148.2 (3)	B5—B4—B9—B8	138.7 (3)
Cl9—B9—B12—B11	148.2 (3)	B5—B4—B9—B12	101.1 (3)
Cl9—B9—B12—B8	−111.4 (4)	B5—B4—B3—Cl3	155.7 (3)
Cl7—B7—B2—Cl2	0.1 (5)	B5—B4—B3—B1	39.7 (3)
Cl7—B7—B2—B1	−150.6 (3)	B5—B4—B3—B7	−62.7 (4)
Cl7—B7—B2—B6	146.4 (3)	B5—B4—B3—B2	1.0 (4)
Cl7—B7—B2—B11	108.4 (4)	B5—B4—B3—B8	−99.9 (3)
Cl7—B7—B2—B3	−113.1 (4)	B5—B4—B8—Cl8	−149.3 (3)
Cl7—B7—B11—Cl11	−1.7 (5)	B5—B4—B8—B7	63.3 (4)
Cl7—B7—B11—B6	−150.6 (3)	B5—B4—B8—B9	−36.6 (3)
Cl7—B7—B11—B10	145.5 (3)	B5—B4—B8—B3	101.6 (3)
Cl7—B7—B11—B2	−112.0 (4)	B5—B4—B8—B12	0.1 (4)
Cl7—B7—B11—B12	109.0 (4)	B5—B9—B8—Cl8	147.7 (3)
Cl7—B7—B3—Cl3	−4.1 (5)	B5—B9—B8—B7	−64.4 (4)
Cl7—B7—B3—B1	148.3 (3)	B5—B9—B8—B4	37.2 (3)
Cl7—B7—B3—B2	110.5 (4)	B5—B9—B8—B3	−0.3 (4)
Cl7—B7—B3—B4	−148.0 (3)	B5—B9—B8—B12	−101.2 (3)
Cl7—B7—B3—B8	−110.3 (4)	B5—B9—B12—Cl12	−147.8 (3)
Cl7—B7—B8—Cl8	3.9 (5)	B5—B9—B12—B10	−36.4 (3)
Cl7—B7—B8—B4	151.5 (3)	B5—B9—B12—B7	64.6 (4)
Cl7—B7—B8—B9	−144.9 (3)	B5—B9—B12—B11	1.1 (4)
Cl7—B7—B8—B3	113.4 (4)	B5—B9—B12—B8	101.4 (3)
Cl7—B7—B8—B12	−108.3 (4)	B4—B1—B6—Cl6	145.6 (3)
Cl7—B7—B12—Cl12	1.7 (5)	B4—B1—B6—B10	0.0 (4)
Cl7—B7—B12—B10	−146.7 (3)	B4—B1—B6—B2	−99.9 (3)
Cl7—B7—B12—B9	149.3 (3)	B4—B1—B6—B5	36.9 (3)
Cl7—B7—B12—B11	−109.7 (4)	B4—B1—B6—B11	−63.2 (4)
Cl7—B7—B12—B8	112.1 (3)	B4—B1—B2—Cl2	−148.0 (3)
Na1ⁱⁱ—Cl6—B6—B1	−106.3 (3)	B4—B1—B2—B6	98.8 (3)
Na1ⁱⁱ—Cl6—B6—B10	36.8 (3)	B4—B1—B2—B7	−0.4 (4)
Na1ⁱⁱ—Cl6—B6—B2	178.1 (3)	B4—B1—B2—B11	62.5 (4)
Na1ⁱⁱ—Cl6—B6—B5	−32.1 (3)	B4—B1—B2—B3	−37.6 (3)
Na1ⁱⁱ—Cl6—B6—B11	105.4 (3)	B4—B1—B5—Cl5	111.7 (4)
Na1ⁱⁱ—Cl5—B5—B1	104.0 (3)	B4—B1—B5—B6	−137.4 (3)
Na1ⁱⁱ—Cl5—B5—B6	29.3 (4)	B4—B1—B5—B10	−100.4 (3)
Na1ⁱⁱ—Cl5—B5—B10	−41.6 (3)	B4—B1—B5—B9	−37.0 (3)
Na1ⁱⁱ—Cl5—B5—B4	179.4 (3)	B4—B1—B3—Cl3	−111.1 (4)
Na1ⁱⁱ—Cl5—B5—B9	−109.7 (3)	B4—B1—B3—B7	99.3 (3)
Na1ⁱ—Cl4—B4—B1	143.7 (3)	B4—B1—B3—B2	137.0 (3)
Na1ⁱ—Cl4—B4—B5	69.0 (3)	B4—B1—B3—B8	36.5 (3)
Na1ⁱ—Cl4—B4—B9	−0.5 (3)	B4—B5—B9—Cl9	111.2 (4)
Na1ⁱ—Cl4—B4—B3	−141.4 (3)	B4—B5—B9—B10	−137.7 (3)
Na1ⁱ—Cl4—B4—B8	−69.6 (3)	B4—B5—B9—B8	−37.2 (3)
Na1ⁱⁱ—Cl10—B10—B6	−37.0 (3)	B4—B5—B9—B12	−101.5 (3)
Na1ⁱⁱ—Cl10—B10—B5	34.4 (3)	B4—B9—B8—Cl8	110.4 (4)
Na1ⁱⁱ—Cl10—B10—B9	106.8 (3)	B4—B9—B8—B7	−101.6 (3)
Na1ⁱⁱ—Cl10—B10—B11	−108.1 (3)	B4—B9—B8—B3	−37.6 (3)
Na1ⁱⁱ—Cl10—B10—B12	179.1 (3)	B4—B9—B8—B12	−138.4 (3)
Na1—Cl12—B12—B10	147.4 (3)	B4—B9—B12—Cl12	148.2 (3)
Na1—Cl12—B12—B7	3.4 (4)	B4—B9—B12—B10	−100.4 (3)
Na1—Cl12—B12—B9	−139.9 (3)	B4—B9—B12—B7	0.6 (4)
Na1—Cl12—B12—B11	75.5 (3)	B4—B9—B12—B11	−62.9 (4)
Na1—Cl12—B12—B8	−67.8 (3)	B4—B9—B12—B8	37.4 (3)
Na1ⁱ—Cl9—B9—B10	−145.2 (3)	B4—B3—B8—Cl8	−111.5 (4)
Na1ⁱ—Cl9—B9—B5	−73.5 (3)	B4—B3—B8—B7	137.6 (3)
Na1ⁱ—Cl9—B9—B4	−1.5 (4)	B4—B3—B8—B9	37.6 (3)
Na1ⁱ—Cl9—B9—B8	70.7 (3)	B4—B3—B8—B12	100.3 (3)
Na1ⁱ—Cl9—B9—B12	143.3 (3)	B4—B8—B12—Cl12	−148.1 (3)
Na1—Cl7—B7—B2	−147.3 (3)	B4—B8—B12—B10	0.8 (4)
Na1—Cl7—B7—B11	−76.1 (3)	B4—B8—B12—B7	101.4 (3)
Na1—Cl7—B7—B3	139.9 (3)	B4—B8—B12—B9	−37.2 (3)
Na1—Cl7—B7—B8	66.7 (3)	B4—B8—B12—B11	64.0 (4)
Na1—Cl7—B7—B12	−5.1 (3)	B9—B10—B5—Cl5	−107.3 (3)
N1—B1—B6—Cl6	−2.8 (6)	B9—B10—B5—B1	101.1 (3)
N1—B1—B6—B10	−148.5 (3)	B9—B10—B5—B6	137.7 (3)
N1—B1—B6—B2	111.7 (4)	B9—B10—B5—B4	37.8 (3)
N1—B1—B6—B5	−111.5 (4)	B9—B10—B11—Cl11	147.8 (3)
N1—B1—B6—B11	148.3 (4)	B9—B10—B11—B6	−100.4 (3)
N1—B1—B2—Cl2	2.0 (5)	B9—B10—B11—B7	1.0 (4)
N1—B1—B2—B6	−111.2 (4)	B9—B10—B11—B2	−63.0 (4)
N1—B1—B2—B7	149.6 (3)	B9—B10—B11—B12	37.5 (3)
N1—B1—B2—B11	−147.5 (3)	B9—B10—B12—Cl12	110.8 (4)
N1—B1—B2—B3	112.4 (4)	B9—B10—B12—B7	−100.9 (3)
N1—B1—B5—Cl5	0.0 (6)	B9—B10—B12—B11	−138.0 (3)
N1—B1—B5—B6	110.8 (4)	B9—B10—B12—B8	−37.9 (3)
N1—B1—B5—B10	147.9 (3)	B9—B5—B4—Cl4	−106.4 (4)
N1—B1—B5—B4	−111.8 (4)	B9—B5—B4—B1	138.9 (3)
N1—B1—B5—B9	−148.7 (3)	B9—B5—B4—B3	99.8 (3)
N1—B1—B4—Cl4	1.1 (5)	B9—B5—B4—B8	36.6 (3)
N1—B1—B4—B5	111.3 (4)	B9—B4—B3—Cl3	−141.4 (3)
N1—B1—B4—B9	148.1 (4)	B9—B4—B3—B1	102.5 (3)
N1—B1—B4—B3	−112.3 (4)	B9—B4—B3—B7	0.2 (4)
N1—B1—B4—B8	−148.6 (4)	B9—B4—B3—B2	63.8 (4)
N1—B1—B3—Cl3	0.7 (6)	B9—B4—B3—B8	−37.0 (3)
N1—B1—B3—B7	−148.9 (4)	B9—B4—B8—Cl8	−112.8 (4)
N1—B1—B3—B2	−111.2 (4)	B9—B4—B8—B7	99.9 (3)
N1—B1—B3—B4	111.8 (4)	B9—B4—B8—B3	138.2 (3)
N1—B1—B3—B8	148.3 (4)	B9—B4—B8—B12	36.7 (3)
B1—B6—B10—Cl10	148.6 (3)	B9—B8—B12—Cl12	−110.9 (4)
B1—B6—B10—B5	37.9 (3)	B9—B8—B12—B10	38.0 (3)
B1—B6—B10—B9	0.1 (4)	B9—B8—B12—B7	138.6 (3)
B1—B6—B10—B11	−101.4 (3)	B9—B8—B12—B11	101.2 (3)
B1—B6—B10—B12	−63.2 (4)	B11—B6—B10—Cl10	−109.9 (4)
B1—B6—B2—Cl2	−115.1 (4)	B11—B6—B10—B5	139.3 (3)
B1—B6—B2—B7	101.5 (3)	B11—B6—B10—B9	101.5 (3)
B1—B6—B2—B11	139.4 (3)	B11—B6—B10—B12	38.2 (3)
B1—B6—B2—B3	38.8 (3)	B11—B6—B2—Cl2	105.4 (4)
B1—B6—B5—Cl5	116.7 (4)	B11—B6—B2—B1	−139.4 (3)
B1—B6—B5—B10	−138.9 (3)	B11—B6—B2—B7	−37.9 (3)
B1—B6—B5—B4	−37.7 (3)	B11—B6—B2—B3	−100.7 (3)
B1—B6—B5—B9	−101.2 (3)	B11—B6—B5—Cl5	−140.4 (3)
B1—B6—B11—Cl11	−146.7 (3)	B11—B6—B5—B1	102.9 (3)
B1—B6—B11—B10	101.6 (3)	B11—B6—B5—B10	−36.0 (3)
B1—B6—B11—B7	1.8 (4)	B11—B6—B5—B4	65.2 (4)
B1—B6—B11—B2	−37.0 (3)	B11—B6—B5—B9	1.7 (4)
B1—B6—B11—B12	64.5 (4)	B11—B10—B5—Cl5	151.6 (3)
B1—B2—B11—Cl11	148.5 (3)	B11—B10—B5—B1	0.0 (4)
B1—B2—B11—B6	36.3 (3)	B11—B10—B5—B6	36.6 (3)
B1—B2—B11—B10	−1.3 (4)	B11—B10—B5—B4	−63.2 (4)
B1—B2—B11—B7	−100.6 (3)	B11—B10—B5—B9	−101.1 (3)
B1—B2—B11—B12	−64.1 (4)	B11—B10—B9—Cl9	−148.5 (3)
B1—B2—B3—Cl3	−116.0 (4)	B11—B10—B9—B5	101.4 (3)
B1—B2—B3—B7	138.2 (3)	B11—B10—B9—B4	63.5 (4)
B1—B2—B3—B4	38.6 (3)	B11—B10—B9—B8	−0.1 (4)
B1—B2—B3—B8	102.1 (3)	B11—B10—B9—B12	−38.1 (3)
B1—B5—B4—Cl4	114.6 (4)	B11—B10—B12—Cl12	−111.1 (4)
B1—B5—B4—B9	−138.9 (3)	B11—B10—B12—B7	37.1 (3)
B1—B5—B4—B3	−39.1 (3)	B11—B10—B12—B9	138.0 (3)
B1—B5—B4—B8	−102.3 (3)	B11—B10—B12—B8	100.1 (3)
B1—B5—B9—Cl9	148.0 (3)	B11—B7—B2—Cl2	−108.3 (3)
B1—B5—B9—B10	−101.0 (3)	B11—B7—B2—B1	101.0 (3)
B1—B5—B9—B4	36.8 (3)	B11—B7—B2—B6	38.0 (3)
B1—B5—B9—B8	−0.4 (4)	B11—B7—B2—B3	138.4 (3)
B1—B5—B9—B12	−64.7 (4)	B11—B7—B3—Cl3	−151.7 (3)
B1—B4—B9—Cl9	−147.8 (3)	B11—B7—B3—B1	0.7 (4)
B1—B4—B9—B10	0.1 (4)	B11—B7—B3—B2	−37.1 (3)
B1—B4—B9—B5	−37.7 (3)	B11—B7—B3—B4	64.4 (4)
B1—B4—B9—B8	101.0 (3)	B11—B7—B3—B8	102.1 (3)
B1—B4—B9—B12	63.4 (4)	B11—B7—B8—Cl8	150.1 (3)
B1—B4—B3—Cl3	116.1 (4)	B11—B7—B8—B4	−62.3 (4)
B1—B4—B3—B7	−102.3 (3)	B11—B7—B8—B9	1.4 (4)
B1—B4—B3—B2	−38.7 (3)	B11—B7—B8—B3	−100.3 (3)
B1—B4—B3—B8	−139.5 (3)	B11—B7—B8—B12	37.9 (3)
B1—B4—B8—Cl8	145.6 (3)	B11—B7—B12—Cl12	111.4 (4)
B1—B4—B8—B7	−1.7 (4)	B11—B7—B12—B10	−37.0 (3)
B1—B4—B8—B9	−101.6 (3)	B11—B7—B12—B9	−101.0 (3)
B1—B4—B8—B3	36.6 (3)	B11—B7—B12—B8	−138.2 (3)
B1—B4—B8—B12	−64.9 (4)	B11—B2—B3—Cl3	142.5 (3)
B1—B3—B8—Cl8	−148.2 (3)	B11—B2—B3—B1	−101.4 (3)
B1—B3—B8—B7	101.0 (3)	B11—B2—B3—B7	36.8 (3)
B1—B3—B8—B4	−36.6 (3)	B11—B2—B3—B4	−62.8 (4)
B1—B3—B8—B9	1.0 (4)	B11—B2—B3—B8	0.7 (4)
B1—B3—B8—B12	63.7 (4)	B3—B1—B6—Cl6	−152.5 (3)
B6—B1—B2—Cl2	113.2 (4)	B3—B1—B6—B10	61.9 (4)
B6—B1—B2—B7	−99.1 (3)	B3—B1—B6—B2	−38.0 (3)
B6—B1—B2—B11	−36.2 (3)	B3—B1—B6—B5	98.8 (3)
B6—B1—B2—B3	−136.4 (3)	B3—B1—B6—B11	−1.4 (4)
B6—B1—B5—Cl5	−110.9 (4)	B3—B1—B2—Cl2	−110.4 (4)
B6—B1—B5—B10	37.0 (3)	B3—B1—B2—B6	136.4 (3)
B6—B1—B5—B4	137.4 (3)	B3—B1—B2—B7	37.3 (3)
B6—B1—B5—B9	100.4 (3)	B3—B1—B2—B11	100.2 (3)
B6—B1—B4—Cl4	−147.0 (3)	B3—B1—B5—Cl5	149.7 (3)
B6—B1—B4—B5	−36.9 (3)	B3—B1—B5—B6	−99.5 (3)
B6—B1—B4—B9	−0.1 (4)	B3—B1—B5—B10	−62.4 (4)
B6—B1—B4—B3	99.6 (3)	B3—B1—B5—B4	37.9 (3)
B6—B1—B4—B8	63.3 (4)	B3—B1—B5—B9	1.0 (4)
B6—B1—B3—Cl3	150.0 (3)	B3—B1—B4—Cl4	113.4 (4)
B6—B1—B3—B7	0.4 (4)	B3—B1—B4—B5	−136.5 (3)
B6—B1—B3—B2	38.1 (3)	B3—B1—B4—B9	−99.6 (3)
B6—B1—B3—B4	−98.9 (3)	B3—B1—B4—B8	−36.3 (3)
B6—B1—B3—B8	−62.4 (4)	B3—B7—B2—Cl2	113.2 (3)
B6—B10—B5—Cl5	115.0 (3)	B3—B7—B2—B1	−37.4 (3)
B6—B10—B5—B1	−36.6 (3)	B3—B7—B2—B6	−100.4 (3)
B6—B10—B5—B4	−99.9 (3)	B3—B7—B2—B11	−138.4 (3)
B6—B10—B5—B9	−137.7 (3)	B3—B7—B11—Cl11	147.4 (3)
B6—B10—B9—Cl9	147.8 (3)	B3—B7—B11—B6	−1.5 (4)
B6—B10—B9—B5	37.8 (3)	B3—B7—B11—B10	−65.4 (4)
B6—B10—B9—B4	−0.1 (4)	B3—B7—B11—B2	37.1 (3)
B6—B10—B9—B8	−63.8 (4)	B3—B7—B11—B12	−101.9 (3)
B6—B10—B9—B12	−101.7 (3)	B3—B7—B8—Cl8	−109.5 (3)
B6—B10—B11—Cl11	−111.8 (4)	B3—B7—B8—B4	38.1 (3)
B6—B10—B11—B7	101.4 (3)	B3—B7—B8—B9	101.7 (3)
B6—B10—B11—B2	37.4 (3)	B3—B7—B8—B12	138.3 (3)
B6—B10—B11—B12	138.0 (3)	B3—B7—B12—Cl12	−148.1 (3)
B6—B10—B12—Cl12	−149.0 (3)	B3—B7—B12—B10	63.6 (4)
B6—B10—B12—B7	−0.7 (4)	B3—B7—B12—B9	−0.5 (4)
B6—B10—B12—B9	100.2 (3)	B3—B7—B12—B11	100.5 (3)
B6—B10—B12—B11	−37.8 (3)	B3—B7—B12—B8	−37.6 (3)
B6—B10—B12—B8	62.3 (4)	B3—B2—B11—Cl11	−147.9 (3)
B6—B2—B11—Cl11	112.2 (4)	B3—B2—B11—B6	99.9 (3)
B6—B2—B11—B10	−37.5 (3)	B3—B2—B11—B10	62.4 (4)
B6—B2—B11—B7	−136.9 (3)	B3—B2—B11—B7	−37.0 (3)
B6—B2—B11—B12	−100.4 (3)	B3—B2—B11—B12	−0.5 (4)
B6—B2—B3—Cl3	−154.6 (3)	B3—B4—B9—Cl9	148.3 (3)
B6—B2—B3—B1	−38.6 (3)	B3—B4—B9—B10	−63.8 (4)
B6—B2—B3—B7	99.6 (3)	B3—B4—B9—B5	−101.6 (3)
B6—B2—B3—B4	0.0 (4)	B3—B4—B9—B8	37.1 (3)
B6—B2—B3—B8	63.5 (4)	B3—B4—B9—B12	−0.5 (4)
B6—B5—B4—Cl4	152.2 (3)	B3—B4—B8—Cl8	109.0 (4)
B6—B5—B4—B1	37.6 (3)	B3—B4—B8—B7	−38.3 (3)
B6—B5—B4—B9	−101.3 (3)	B3—B4—B8—B9	−138.2 (3)
B6—B5—B4—B3	−1.5 (4)	B3—B4—B8—B12	−101.5 (3)
B6—B5—B4—B8	−64.7 (4)	B3—B8—B12—Cl12	148.2 (3)
B6—B5—B9—Cl9	−149.1 (3)	B3—B8—B12—B10	−62.8 (4)
B6—B5—B9—B10	−38.0 (3)	B3—B8—B12—B7	37.7 (3)
B6—B5—B9—B4	99.7 (3)	B3—B8—B12—B9	−100.9 (3)
B6—B5—B9—B8	62.6 (4)	B3—B8—B12—B11	0.4 (4)
B6—B5—B9—B12	−1.7 (4)	C2—N1—B1—B6	73.4 (5)
B6—B11—B12—Cl12	148.7 (3)	C2—N1—B1—B2	145.5 (4)
B6—B11—B12—B10	37.8 (3)	C2—N1—B1—B5	2.1 (5)
B6—B11—B12—B7	−100.8 (3)	C2—N1—B1—B4	−69.6 (5)
B6—B11—B12—B9	0.0 (4)	C2—N1—B1—B3	−142.2 (4)
B6—B11—B12—B8	−63.7 (4)	B8—B7—B2—Cl2	150.0 (3)
B10—B6—B2—Cl2	142.1 (3)	B8—B7—B2—B1	−0.7 (4)
B10—B6—B2—B1	−102.8 (3)	B8—B7—B2—B6	−63.7 (4)
B10—B6—B2—B7	−1.3 (4)	B8—B7—B2—B11	−101.7 (3)
B10—B6—B2—B11	36.6 (3)	B8—B7—B2—B3	36.8 (3)
B10—B6—B2—B3	−64.0 (4)	B8—B7—B11—Cl11	−148.7 (3)
B10—B6—B5—Cl5	−104.4 (4)	B8—B7—B11—B6	62.4 (4)
B10—B6—B5—B1	138.9 (3)	B8—B7—B11—B10	−1.5 (4)
B10—B6—B5—B4	101.2 (3)	B8—B7—B11—B2	101.0 (3)
B10—B6—B5—B9	37.7 (3)	B8—B7—B11—B12	−38.0 (3)
B10—B6—B11—Cl11	111.7 (4)	B8—B7—B3—Cl3	106.2 (3)
B10—B6—B11—B7	−99.8 (3)	B8—B7—B3—B1	−101.4 (3)
B10—B6—B11—B2	−138.6 (3)	B8—B7—B3—B2	−139.2 (3)
B10—B6—B11—B12	−37.2 (3)	B8—B7—B3—B4	−37.7 (3)
B10—B5—B4—Cl4	−144.1 (3)	B8—B7—B12—Cl12	−110.4 (4)
B10—B5—B4—B1	101.3 (3)	B8—B7—B12—B10	101.2 (3)
B10—B5—B4—B9	−37.6 (3)	B8—B7—B12—B9	37.2 (3)
B10—B5—B4—B3	62.1 (4)	B8—B7—B12—B11	138.2 (3)
B10—B5—B4—B8	−1.0 (4)	B8—B4—B9—Cl9	111.1 (3)
B10—B5—B9—Cl9	−111.1 (4)	B8—B4—B9—B10	−100.9 (3)
B10—B5—B9—B4	137.7 (3)	B8—B4—B9—B5	−138.7 (3)
B10—B5—B9—B8	100.6 (3)	B8—B4—B9—B12	−37.6 (3)
B10—B5—B9—B12	36.3 (3)	B8—B4—B3—Cl3	−104.4 (4)
B10—B9—B8—Cl8	−148.7 (3)	B8—B4—B3—B1	139.5 (3)
B10—B9—B8—B7	−0.8 (4)	B8—B4—B3—B7	37.2 (3)
B10—B9—B8—B4	100.8 (3)	B8—B4—B3—B2	100.9 (3)
B10—B9—B8—B3	63.3 (4)	B8—B9—B12—Cl12	110.7 (4)
B10—B9—B8—B12	−37.6 (3)	B8—B9—B12—B10	−137.8 (3)
B10—B9—B12—Cl12	−111.4 (4)	B8—B9—B12—B7	−36.8 (3)
B10—B9—B12—B7	101.0 (3)	B8—B9—B12—B11	−100.4 (3)
B10—B9—B12—B11	37.5 (3)	C3—N1—B1—B6	−47.6 (5)
B10—B9—B12—B8	137.8 (3)	C3—N1—B1—B2	24.5 (5)
B10—B11—B12—Cl12	110.9 (4)	C3—N1—B1—B5	−118.9 (4)
B10—B11—B12—B7	−138.5 (3)	C3—N1—B1—B4	169.5 (4)
B10—B11—B12—B9	−37.8 (3)	C3—N1—B1—B3	96.8 (5)
B10—B11—B12—B8	−101.4 (3)	B12—B10—B5—Cl5	−143.6 (3)
B7—B2—B11—Cl11	−110.9 (4)	B12—B10—B5—B1	64.8 (4)
B7—B2—B11—B6	136.9 (3)	B12—B10—B5—B6	101.4 (3)
B7—B2—B11—B10	99.3 (4)	B12—B10—B5—B4	1.6 (4)
B7—B2—B11—B12	36.5 (3)	B12—B10—B5—B9	−36.3 (3)
B7—B2—B3—Cl3	105.7 (3)	B12—B10—B9—Cl9	−110.4 (4)
B7—B2—B3—B1	−138.2 (3)	B12—B10—B9—B5	139.5 (3)
B7—B2—B3—B4	−99.7 (3)	B12—B10—B9—B4	101.6 (3)
B7—B2—B3—B8	−36.1 (3)	B12—B10—B9—B8	38.0 (3)
B7—B11—B12—Cl12	−110.6 (4)	B12—B10—B11—Cl11	110.2 (4)
B7—B11—B12—B10	138.5 (3)	B12—B10—B11—B6	−138.0 (3)
B7—B11—B12—B9	100.8 (3)	B12—B10—B11—B7	−36.6 (3)
B7—B11—B12—B8	37.1 (3)	B12—B10—B11—B2	−100.6 (4)
B7—B3—B8—Cl8	110.9 (3)	B12—B7—B2—Cl2	−145.5 (3)
B7—B3—B8—B4	−137.6 (3)	B12—B7—B2—B1	63.8 (4)
B7—B3—B8—B9	−100.0 (3)	B12—B7—B2—B6	0.8 (4)
B7—B3—B8—B12	−37.3 (3)	B12—B7—B2—B11	−37.2 (3)
B7—B8—B12—Cl12	110.6 (4)	B12—B7—B2—B3	101.3 (3)
B7—B8—B12—B10	−100.5 (3)	B12—B7—B11—Cl11	−110.7 (4)
B7—B8—B12—B9	−138.6 (3)	B12—B7—B11—B6	100.4 (3)
B7—B8—B12—B11	−37.3 (3)	B12—B7—B11—B10	36.5 (3)
B2—B1—B6—Cl6	−114.5 (4)	B12—B7—B11—B2	139.0 (3)
B2—B1—B6—B10	99.9 (3)	B12—B7—B3—Cl3	144.0 (3)
B2—B1—B6—B5	136.8 (3)	B12—B7—B3—B1	−63.6 (4)
B2—B1—B6—B11	36.7 (3)	B12—B7—B3—B2	−101.4 (3)
B2—B1—B5—Cl5	−148.7 (3)	B12—B7—B3—B4	0.2 (4)
B2—B1—B5—B6	−37.8 (3)	B12—B7—B3—B8	37.8 (3)
B2—B1—B5—B10	−0.7 (4)	B12—B7—B8—Cl8	112.2 (4)
B2—B1—B5—B4	99.6 (3)	B12—B7—B8—B4	−100.2 (3)
B2—B1—B5—B9	62.7 (4)	B12—B7—B8—B9	−36.5 (3)
B2—B1—B4—Cl4	151.0 (3)	B12—B7—B8—B3	−138.3 (3)
B2—B1—B4—B5	−98.9 (3)	B12—B9—B8—Cl8	−111.1 (4)
B2—B1—B4—B9	−62.1 (4)	B12—B9—B8—B7	36.8 (3)
B2—B1—B4—B3	37.6 (3)	B12—B9—B8—B4	138.4 (3)
B2—B1—B4—B8	1.3 (4)	B12—B9—B8—B3	100.9 (3)
B2—B1—B3—Cl3	111.8 (4)	O2—S1—O1—Na1	176.9 (3)
B2—B1—B3—B7	−37.7 (3)

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) x+1, y, z; (iii) x−1, y, z; (iv) −x+1, y−1/2, −z+1/2.

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