research communications\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

Tris(μ2-methano­lato)-μ3-oxido-tris­­{[(E)-4-chloro-2-({[2-(pyridin-2-yl)eth­yl]imino}­meth­yl)pheno­lato]manganese(III)} perchlorate–di­chloro­methane–di­ethyl ether (1/1.1/0.9)

aDepartment of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA
*Correspondence e-mail: rnegekenze@gmail.com

Edited by M. Zeller, Purdue University, USA (Received 1 June 2017; accepted 15 June 2017; online 4 July 2017)

In the title compound, [Mn3(C14H12ClN2O)3(CH3O)3O]ClO4·1.1CH2Cl2·0.9C4H10O, the cation consists of a central Mn3O core with μ2-methano­late bridging between adjacent MnIII atoms, thus giving each MnIII atom a mer-O3 coordination environment. Six-coordination for each MnIII atom is provided by the deprotonated Schiff base ligand (E)-4-chloro-2-({[2-(pyridin-2-yl)eth­yl]imino}­meth­yl)phenolate. There are extensive C—H⋯O and C—H⋯Cl inter­actions, which link the cations, anions, and solvent mol­ecules into a three-dimensional array.

1. Chemical context

Single-mol­ecule magnets (SMMs) have attracted extensive attention because they are nanoscale magnetic particles of a well-defined size (Gatteschi & Sessoli 2003[Gatteschi, D. & Sessoli, R. (2003). Angew. Chem. Int. Ed. 42, 268-297.]; Tasiopoulos et al., 2004[Tasiopoulos, A. J., Vinslava, A., Wernsdorfer, W., Abboud, K. A. & Christou, G. (2004). Angew. Chem. Int. Ed. 43, 2117-2121.]) and, in particular, manganese polynuclear manganese units have been investigated extensively in this respect. Employing salicylaldoxime ligands in manganese chemistry has proved to be extremely successful in the synthesis of new polynuclear complexes, including some SMMs (Milios et al., 2004[Milios, G. J., Raptopoulou, C. P., Terzis, A., Lloret, F., Vicente, R., Perlepes, S. P. & Escuer, A. (2004). Angew. Chem. Int. Ed. 43, 210-212.]) and single-chain magnets (SCMs) (Feng et al., 2009[Feng, P. L., Koo, C., Henderson, J. J., Manning, P., Nakano, M., del Barco, E., Hill, S. & Hendrickson, D. N. (2009). Inorg. Chem. 48, 3480-3492.]), suggesting that such ligands are excellent candidates for the preparation of polynuclear Mn complexes with inter­esting magnetic properties. A common motif in this chemistry is the formation of an Mn3O central core and a search of the Cambridge Structural Database (CSD; Groom et al., 2016[Groom, C. R., Bruno, I. J., Lightfoot, M. P. & Ward, S. C. (2016). Acta Cryst. B72, 171-179.]) for this moiety with each Mn atom surrounded by an additional N2O coordination environment gave over 500 hits. Most surprisingly in view of ubiquity of this type of ligand in transition metal coordination chemistry, there was not a single example in this list where the N2O coordination environment was supplied by a Schiff base ligand based on substituted salicyl­aldehyde derivatives. This paper reports the first example of such a structural type.

2. Structural commentary

In the title compound, [Mn3(C14H11ClN2O)3(CH3O)3O]ClO4·1.1CH2Cl2·0.9C4H10O, the cation consists of a central Mn3O core with μ2-methano­late bridging between adjacent MnIII atoms, thus giving each MnIII atom a mer-O3 coordination environment (Fig. 1[link]). Six-coordination for each MnIII atom is provided by the deprotonated Schiff base ligand (E)-4-chloro-2-({[2-(pyridin-2-yl)eth­yl]imino}­meth­yl)phenolate, also coordinating in a mer-N2O fashion to each MnIII atom. Thus the best description of the central Mn3O4 core, made up of the three MnIII atoms, the central O and the bridging methano­late O atoms, is as a pseudo-cubane, missing one vertex. This can be seen by considering the Mn—O—Mn angles of 103.12 (6), 102.75 (6) and 101.75 (6)°.

[Scheme 1]
[Figure 1]
Figure 1
Diagram of the cation showing the atom labeling. Anions and solvent mol­ecules have been omitted for clarity. Atomic displacement parameters are drawn at the 30% probability level.

Since each MnIII atom is in the +3 oxidation state and thus a high-spin d4 ion, they are expected to exhibit Jahn–Teller distortion (Jahn & Teller, 1937[Jahn, H. A. & Teller, E. (1937). Proc. R. Soc. London Ser. A, 161, 220-235.]). The most common type of Jahn–Teller distortion is a tetra­gonal distortion with the bond lengths along one trans axis being longer than expected. For each MnIII atom, this is provided by the methano­late O and pyridine N atoms. Thus the Mn—O bond lengths involving the methano­late O atom are very asymmetric with one long (for the O atom involved in the Jahn–Teller distortion) and one short bond [2.1973 (14) and 1.8880 (14) Å; 2.2004 (13) and 1.8858 (13) Å; 2.2157 (14) and 1.8831 (13) Å]. The Mn—O bonds to the central O2− are short [1.9427 (13), 1.9344 (13), 1.9429 (12) Å] as expected due to the respective charge of the two atoms.

For the coordinating Schiff base ligands, the Mn—O bond lengths are in the normal range for Mn3+ complexes [1.9020 (16), 1.8957 (14), and 1.8858 (13) Å] while the Mn—N bond lengths group into shorter Mn—Namine [2.0202 (16), 2.0226 (16), and 2.0121 (16) Å] and longer Mn—Npy lengths [2.3640 (17), 2.4312 (16), and 2.3880 (17) Å].

3. Supra­molecular features

As seen in Fig. 2[link], there are extensive C—H⋯O and C—H⋯Cl inter­actions (Table 1[link]), which link the cation anion and solvent mol­ecules into a three-dimensional array.

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C2SA—H2SA⋯O1C 0.98 2.42 2.991 (3) 117
C5A—H5AA⋯Cl8S 0.95 2.94 3.874 (11) 168
C5A—H5AA⋯Cl3Si 0.95 2.72 3.39 (2) 128
C8A—H8AA⋯O1 0.99 2.40 3.061 (2) 123
C14A—H14B⋯O3SA 0.95 2.44 3.036 (2) 120
C3B—H3BA⋯Cl1Cii 0.95 2.91 3.758 (2) 149
C8B—H8BA⋯O1 0.99 2.45 3.089 (2) 122
C9B—H9BA⋯O1Aiii 0.99 2.47 3.335 (2) 145
C9B—H9BB⋯O11iv 0.99 2.54 3.241 (3) 128
C14B—H14A⋯O1SA 0.95 2.53 3.116 (2) 120
C5C—H5CA⋯O14 0.95 2.38 3.300 (3) 164
C7C—H7CA⋯O13 0.95 2.55 3.478 (3) 164
C8C—H8CA⋯O1 0.99 2.43 3.079 (2) 123
C9C—H9CA⋯Cl7Sv 0.99 2.68 3.631 (11) 161
C9C—H9CB⋯O12iv 0.99 2.57 3.371 (3) 138
C9C—H9CB⋯O13iv 0.99 2.64 3.403 (3) 134
C13C—H13C⋯Cl1Svi 0.95 2.80 3.698 (6) 159
C13C—H13C⋯Cl4Svi 0.95 2.52 3.441 (12) 163
C13C—H13C⋯Cl5Svi 0.95 2.91 3.843 (5) 169
C14C—H14C⋯O2SA 0.95 2.47 3.082 (3) 122
C1DA—H1D1⋯O11 0.99 2.53 3.201 (15) 125
C1DA—H1D1⋯O14 0.99 2.65 3.63 (2) 169
C1DC—H1D6⋯O11 0.99 2.24 3.176 (10) 158
Symmetry codes: (i) x-1, y, z; (ii) -x+1, -y+1, -z+1; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iv) -x+1, -y+1, -z+2; (v) x+1, y, z; (vi) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].
[Figure 2]
Figure 2
Packing diagram, viewed along the b axis, showing the extensive C—H⋯O and C—H⋯Cl inter­actions linking the cation, anion, and solvent mol­ecules into a three-dimensional array. For the disordered moieties, only the major disorder component is shown.

4. Database survey

A survey of the Cambridge Structural Database for Mn3O fragments where the Mn atoms are also coordinated by Schiff base ligands gave no hits. However, there were many instances of such units with salicylaldoxime ligands as this is a fertile field of research in the search for single mol­ecule magnets.

5. Synthesis and crystallization

A solution of the ligand C14H13ClNO (2.4793 g, 9.5 mmol) and an equivalent amount of tri­ethyl­amine (C6H15N; 1.3 ml, 9.5 mmol) both in methanol, was mixed with a methanol solution of Mn(ClO4)2 (1.7276 g, 4.8 mmol) in a 150 ml reaction flask. The mixture was refluxed for four h before it was cooled to room temperature. The solvent was reduced by rotary evaporation and the precipitate that formed was filtered by suction, washed with di­ethyl­ether and dried in a desiccator. Crystals suitable for X-ray diffraction were obtained by dissolving the compound in a mixture of methanol and di­chloro­methane and layering the solution with diethyl ether. The yield was 2.60 g (62%).

Characterization data for [C50H54Cl6Mn3N6O12] are as follows: IR (LiTaO3, KBr) (cm−1); 3073 (w), 2942 (w), 1616 (m), 1601 (m), 1567 (w), 1532 (m), 1485 (w), 1449 (m), 1437 (w), 1421 (w), 1449 (m), 1372 (m), 1280 (s), 1214 (w), 1188 (m), 1159 (w), 1080 (s), 1029 (m), 1012 (w), 970 (w), 960 (w), 917 (w), 872 (w), 862 (w), 846 (m), 808 (m), 760 (m), 781 (s), 760 (m), 706 (s), 662 (m). Uv–vis {λmax (nm), (MeOH)}: 231 (21007.41), 285 (12846.85), 361 (4268.89), 421 (1690.93).

6. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2[link]. The H atoms were positioned geometrically and allowed to ride on their parent atoms, with C—H = ranging from 0.93 to 0.98 Å and Uiso(H) = xUeq(C), where x = 1.5 for methyl H atoms and 1.2 for all other C-bound H atoms. The di­chloro­methane and diethyl ether solvate mol­ecules were disordered. One of the di­chloro­methane solvate mol­ecules was disordered over three orientations with occupancies of 0.529 (3), 0.344 (3), and 0.127 (2) and was refined through the use of SAME and SIMU commands. The diethyl ether mol­ecule was disordered over two conformations and in addition there was a di­chloro­methane mol­ecule in the same vicinity. The diethyl ether mol­ecule was treated as being disordered and was refined with restraints to have similar metrical parameters using the SAME command. The occupancies of the two diethyl ether conformers [0.725 (3), 0.179 (3)], and the adjacent dicholormethane mol­ecule [0.0962 (18)] was summed to 1 through the use of the SUMP command. The displacement parameters of similar disordered species were restrained through the use of SIMU commands.

Table 2
Experimental details

Crystal data
Chemical formula [Mn3(C14H12ClN2O)3(CH3O)3O]ClO4·1.1CH2Cl2·0.9C4H10O
Mr 1312.41
Crystal system, space group Monoclinic, P21/n
Temperature (K) 123
a, b, c (Å) 16.0002 (3), 19.3890 (2), 19.1631 (3)
β (°) 100.0727 (18)
V3) 5853.31 (16)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.98
Crystal size (mm) 0.32 × 0.27 × 0.18
 
Data collection
Diffractometer Agilent Xcalibur, Ruby, Gemini
Absorption correction Gaussian (CrysAlis PRO; Agilent 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, England.])
Tmin, Tmax 0.757, 0.869
No. of measured, independent and observed [I > 2σ(I)] reflections 108163, 37613, 23139
Rint 0.064
(sin θ/λ)max−1) 0.924
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.071, 0.166, 1.08
No. of reflections 37613
No. of parameters 833
No. of restraints 344
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.74, −0.78
Computer programs: CrysAlis PRO (Agilent 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, England.]), SHELXS97 and SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and SHELXL2016 (Sheldrick, 2015[Sheldrick, G. M. (2015). Acta Cryst. C71, 3-8.]).

Supporting information


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: SHELXL2016 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Tris(µ2-methanolato)-µ3-oxido-tris[(E)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III) perchlorate–dichloromethane–diethyl ether (1/1.096/0.906) top
Crystal data top
[Mn3(C14H12ClN2O)3(CH3O)3O]ClO4·1.096CH2Cl2·0.906C4H10OF(000) = 2688
Mr = 1312.41Dx = 1.489 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 16.0002 (3) ÅCell parameters from 18751 reflections
b = 19.3890 (2) Åθ = 3.0–40.9°
c = 19.1631 (3) ŵ = 0.98 mm1
β = 100.0727 (18)°T = 123 K
V = 5853.31 (16) Å3Prism, brown-red
Z = 40.32 × 0.27 × 0.18 mm
Data collection top
Agilent Xcalibur, Ruby, Gemini
diffractometer
23139 reflections with I > 2σ(I)
Detector resolution: 10.5081 pixels mm-1Rint = 0.064
ω scansθmax = 41.0°, θmin = 3.0°
Absorption correction: gaussian
(CrysAlis PRO; Agilent 2012)
h = 2629
Tmin = 0.757, Tmax = 0.869k = 3530
108163 measured reflectionsl = 3528
37613 independent reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.071H-atom parameters constrained
wR(F2) = 0.166 w = 1/[σ2(Fo2) + (0.051P)2 + 3.6302P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max = 0.002
37613 reflectionsΔρmax = 0.74 e Å3
833 parametersΔρmin = 0.78 e Å3
344 restraintsExtinction correction: SHELXL2016 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00127 (15)
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
xyzUiso*/UeqOcc. (<1)
Mn10.24659 (2)0.51964 (2)0.71884 (2)0.01770 (5)
Mn20.26265 (2)0.37124 (2)0.67227 (2)0.01828 (5)
Mn30.41844 (2)0.46209 (2)0.70663 (2)0.01751 (5)
O10.31554 (8)0.43753 (6)0.74165 (7)0.0173 (2)
O1SA0.18888 (9)0.44462 (7)0.63876 (7)0.0214 (2)
C1SA0.14230 (16)0.45174 (12)0.56926 (11)0.0326 (5)
H1SA0.0916520.4224570.5638180.049*
H1SB0.1778000.4377130.5349210.049*
H1SC0.1251810.4999860.5608990.049*
O2SA0.37514 (9)0.40444 (7)0.62949 (7)0.0215 (2)
C2SA0.39105 (15)0.40900 (11)0.55948 (11)0.0287 (4)
H2SA0.4237840.4508770.5544750.043*
H2SB0.3370200.4107700.5263170.043*
H2SC0.4234080.3685100.5490490.043*
O3SA0.33484 (9)0.55173 (7)0.67395 (7)0.0209 (2)
C3SA0.32111 (16)0.57908 (12)0.60443 (11)0.0301 (4)
H3SA0.2820640.6183140.6017280.045*
H3SB0.2964590.5434170.5707910.045*
H3SC0.3753040.5944510.5926320.045*
Cl1A0.19978 (4)0.58318 (3)0.61990 (4)0.04071 (14)
O1A0.17184 (9)0.59188 (7)0.68086 (8)0.0230 (3)
N1A0.16368 (11)0.49440 (8)0.78300 (9)0.0208 (3)
N2A0.30287 (11)0.58179 (8)0.82259 (9)0.0211 (3)
C1A0.08841 (12)0.58770 (9)0.66822 (11)0.0220 (3)
C2A0.04248 (14)0.62758 (10)0.61312 (11)0.0253 (4)
H2AA0.0722560.6567050.5860030.030*
C3A0.04500 (14)0.62515 (11)0.59776 (12)0.0279 (4)
H3AA0.0749450.6516350.5597210.034*
C4A0.08920 (14)0.58376 (11)0.63820 (13)0.0293 (4)
C5A0.04726 (14)0.54533 (11)0.69344 (13)0.0291 (4)
H5AA0.0785070.5180240.7210410.035*
C6A0.04190 (13)0.54624 (10)0.70936 (11)0.0240 (3)
C7A0.08429 (13)0.50808 (10)0.76994 (11)0.0237 (3)
H7AA0.0505970.4918380.8027120.028*
C8A0.20037 (13)0.46199 (10)0.85105 (10)0.0224 (3)
H8AA0.2481240.4317580.8441550.027*
H8AB0.1568130.4329560.8675710.027*
C9A0.23208 (15)0.51596 (10)0.90712 (11)0.0261 (4)
H9AA0.1818420.5393960.9198130.031*
H9AB0.2606960.4914220.9500130.031*
C10A0.29206 (13)0.57106 (10)0.88962 (10)0.0220 (3)
C11A0.33388 (14)0.61080 (11)0.94515 (11)0.0270 (4)
H11A0.3261540.6015170.9922770.032*
C12A0.38669 (15)0.66378 (11)0.93212 (12)0.0297 (4)
H12A0.4160320.6909240.9698950.036*
C13A0.39596 (14)0.67651 (10)0.86257 (12)0.0269 (4)
H13A0.4307040.7132390.8514880.032*
C14A0.35361 (13)0.63464 (10)0.81018 (11)0.0240 (3)
H14B0.3603020.6432380.7626610.029*
Cl1B0.42659 (5)0.09930 (4)0.48119 (4)0.04923 (18)
O1B0.22748 (10)0.31485 (7)0.59166 (8)0.0240 (3)
N1B0.32701 (10)0.29040 (8)0.72229 (8)0.0202 (3)
N2B0.16275 (11)0.32735 (8)0.74358 (9)0.0234 (3)
C1B0.27593 (13)0.26756 (9)0.56916 (10)0.0221 (3)
C2B0.26416 (15)0.25324 (10)0.49598 (11)0.0269 (4)
H2BA0.2238110.2791410.4641920.032*
C3B0.31036 (17)0.20209 (11)0.46962 (12)0.0316 (5)
H3BA0.3011130.1928520.4201820.038*
C4B0.37029 (16)0.16419 (11)0.51537 (13)0.0320 (5)
C5B0.38412 (15)0.17671 (11)0.58709 (12)0.0283 (4)
H5BA0.4248380.1503060.6179990.034*
C6B0.33768 (13)0.22892 (9)0.61470 (11)0.0228 (3)
C7B0.35206 (13)0.23790 (9)0.69073 (10)0.0224 (3)
H7BA0.3819920.2026520.7191950.027*
C8B0.33875 (13)0.28906 (10)0.80034 (10)0.0219 (3)
H8BA0.3451480.3367950.8188310.026*
H8BB0.3912550.2633760.8194480.026*
C9B0.26346 (14)0.25494 (10)0.82502 (11)0.0241 (3)
H9BA0.2598880.2067100.8077860.029*
H9BB0.2752340.2532350.8774600.029*
C10B0.17819 (14)0.28793 (10)0.80238 (11)0.0248 (4)
C11B0.11494 (16)0.27507 (12)0.84253 (14)0.0339 (5)
H11B0.1275970.2483720.8846260.041*
C12B0.03395 (16)0.30103 (13)0.82129 (15)0.0381 (5)
H12C0.0091050.2932580.8488140.046*
C13B0.01710 (15)0.33870 (12)0.75884 (15)0.0354 (5)
H13B0.0383620.3556250.7414800.042*
C14B0.08288 (14)0.35094 (11)0.72260 (13)0.0280 (4)
H14A0.0713240.3775400.6803770.034*
Cl1C0.68540 (4)0.76148 (3)0.72233 (3)0.03424 (12)
O1C0.50399 (9)0.49956 (7)0.66168 (7)0.0223 (3)
N1C0.47280 (10)0.50636 (8)0.79836 (8)0.0188 (3)
N2C0.50639 (11)0.37137 (8)0.76281 (9)0.0229 (3)
C1C0.54086 (12)0.55998 (9)0.67642 (10)0.0201 (3)
C2C0.57277 (14)0.59545 (10)0.62278 (11)0.0247 (4)
H2CA0.5643740.5766530.5762920.030*
C3C0.61601 (14)0.65693 (11)0.63604 (11)0.0274 (4)
H3CA0.6366130.6802490.5988700.033*
C4C0.62938 (13)0.68475 (10)0.70423 (12)0.0256 (4)
C5C0.59863 (13)0.65216 (10)0.75820 (11)0.0239 (3)
H5CA0.6082880.6714320.8044910.029*
C6C0.55297 (12)0.59041 (9)0.74486 (10)0.0203 (3)
C7C0.52521 (12)0.55701 (10)0.80406 (10)0.0209 (3)
H7CA0.5471400.5735870.8502920.025*
C8C0.46133 (13)0.47129 (10)0.86433 (9)0.0216 (3)
H8CA0.4055410.4477960.8571700.026*
H8CB0.4625360.5056300.9027260.026*
C9C0.53155 (13)0.41895 (11)0.88516 (11)0.0261 (4)
H9CA0.5858570.4443380.8970730.031*
H9CB0.5216460.3955970.9289300.031*
C10C0.54219 (12)0.36411 (10)0.83156 (11)0.0242 (3)
C11C0.59328 (15)0.30743 (12)0.85498 (13)0.0330 (5)
H11C0.6168760.3027930.9038090.040*
C12C0.60943 (16)0.25828 (12)0.80726 (15)0.0366 (5)
H12B0.6436340.2192710.8227150.044*
C13C0.57475 (15)0.26673 (12)0.73594 (14)0.0335 (5)
H13C0.5858800.2343930.7014640.040*
C14C0.52358 (14)0.32358 (11)0.71666 (12)0.0274 (4)
H14C0.4992950.3290680.6680790.033*
Cl10.62722 (4)0.65431 (3)0.99642 (3)0.03190 (11)
O110.71139 (12)0.64631 (11)1.03643 (10)0.0418 (4)
O120.57862 (13)0.69681 (11)1.03593 (10)0.0445 (4)
O130.58792 (15)0.58751 (11)0.98449 (11)0.0495 (5)
O140.63084 (17)0.68626 (12)0.92951 (10)0.0554 (6)
O1S0.1958 (2)0.4106 (2)0.6690 (3)0.0658 (9)0.725 (3)
C1S0.1231 (4)0.3811 (3)0.5773 (3)0.0745 (15)0.725 (3)
H1S10.0942700.4256520.5865420.112*0.725 (3)
H1S20.1296300.3703030.5266700.112*0.725 (3)
H1S30.0892520.3450580.6048140.112*0.725 (3)
C2S0.2026 (4)0.3845 (4)0.5969 (4)0.0827 (14)0.725 (3)
H2S10.2285170.3379820.5938330.099*0.725 (3)
H2S20.2399840.4152170.5638940.099*0.725 (3)
C3S0.2751 (3)0.4180 (3)0.6887 (4)0.0759 (12)0.725 (3)
H3S10.3032590.3725310.6882950.091*0.725 (3)
H3S20.3113630.4485810.6547400.091*0.725 (3)
C4S0.2637 (5)0.4483 (4)0.7613 (5)0.0880 (17)0.725 (3)
H4S10.2291740.4171820.7949290.132*0.725 (3)
H4S20.3193600.4546060.7751590.132*0.725 (3)
H4S30.2351770.4930490.7615330.132*0.725 (3)
O1SB0.2100 (11)0.4153 (10)0.6983 (10)0.0729 (16)0.179 (3)
C1SB0.3235 (13)0.3982 (13)0.5931 (14)0.079 (3)0.179 (3)
H1S40.3312090.3784220.5453060.118*0.179 (3)
H1S50.3606830.3743170.6208130.118*0.179 (3)
H1S60.3379240.4473260.5899700.118*0.179 (3)
C2SB0.2390 (13)0.3902 (12)0.6261 (12)0.0753 (17)0.179 (3)
H2S30.2034150.4128280.5953870.090*0.179 (3)
H2S40.2260210.3403120.6260230.090*0.179 (3)
C3SB0.2748 (15)0.4335 (16)0.7331 (14)0.0732 (17)0.179 (3)
H3S30.3127470.3936830.7362570.088*0.179 (3)
H3S40.3087530.4716130.7080690.088*0.179 (3)
C4SB0.2316 (16)0.4564 (14)0.8070 (13)0.078 (3)0.179 (3)
H4S40.2747890.4701410.8347480.116*0.179 (3)
H4S50.1980910.4181260.8308220.116*0.179 (3)
H4S60.1941200.4956040.8027970.116*0.179 (3)
C1DD0.270 (2)0.4917 (18)0.7921 (12)0.078 (2)0.0962 (18)
H1D70.3274800.4780120.7692690.094*0.0962 (18)
H1D80.2550620.5350950.7696900.094*0.0962 (18)
Cl7S0.2679 (7)0.5064 (6)0.8846 (6)0.079 (3)0.0962 (18)
Cl8S0.1969 (8)0.4266 (6)0.7779 (8)0.084 (2)0.0962 (18)
C1DA0.8539 (13)0.6470 (9)0.9382 (10)0.116 (3)0.344 (3)
H1D10.7915170.6506800.9338150.139*0.344 (3)
H1D20.8749140.6167270.9791300.139*0.344 (3)
Cl1S0.8797 (4)0.6074 (3)0.8566 (4)0.1136 (18)0.344 (3)
Cl2S0.9009 (6)0.7322 (4)0.9545 (5)0.104 (2)0.344 (3)
C1DB0.842 (3)0.5960 (15)0.918 (3)0.116 (4)0.127 (2)
H1D30.8571390.5740210.9647740.139*0.127 (2)
H1D40.7800270.6012950.9052910.139*0.127 (2)
Cl3S0.8840 (15)0.5479 (10)0.8509 (12)0.179 (5)0.127 (2)
Cl4S0.8973 (8)0.6795 (6)0.9146 (7)0.100 (3)0.127 (2)
C1DC0.8304 (8)0.7012 (6)0.9321 (7)0.117 (3)0.529 (3)
H1D50.7853260.7279690.9019410.141*0.529 (3)
H1D60.8074640.6853530.9741200.141*0.529 (3)
Cl5S0.8540 (3)0.6277 (2)0.8840 (3)0.1189 (12)0.529 (3)
Cl6S0.9171 (3)0.7564 (2)0.9609 (2)0.0799 (12)0.529 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.01926 (12)0.01531 (10)0.01826 (11)0.00037 (9)0.00256 (9)0.00121 (9)
Mn20.02095 (12)0.01474 (10)0.01806 (11)0.00015 (9)0.00038 (9)0.00042 (9)
Mn30.01911 (12)0.01785 (10)0.01538 (10)0.00121 (9)0.00254 (9)0.00030 (9)
O10.0177 (5)0.0165 (5)0.0172 (5)0.0001 (4)0.0018 (4)0.0002 (4)
O1SA0.0224 (6)0.0199 (5)0.0197 (5)0.0008 (5)0.0022 (5)0.0000 (5)
C1SA0.0384 (12)0.0311 (10)0.0235 (9)0.0090 (9)0.0075 (8)0.0013 (8)
O2SA0.0274 (7)0.0220 (6)0.0156 (5)0.0037 (5)0.0049 (5)0.0017 (5)
C2SA0.0362 (11)0.0304 (9)0.0206 (8)0.0079 (8)0.0084 (8)0.0042 (7)
O3SA0.0237 (6)0.0205 (5)0.0182 (5)0.0010 (5)0.0028 (5)0.0036 (5)
C3SA0.0367 (11)0.0316 (10)0.0226 (8)0.0079 (9)0.0071 (8)0.0096 (8)
Cl1A0.0217 (2)0.0395 (3)0.0579 (4)0.0017 (2)0.0015 (2)0.0102 (3)
O1A0.0204 (6)0.0190 (5)0.0288 (7)0.0007 (5)0.0020 (5)0.0037 (5)
N1A0.0227 (7)0.0175 (6)0.0219 (7)0.0008 (5)0.0031 (6)0.0012 (5)
N2A0.0245 (7)0.0174 (6)0.0204 (6)0.0025 (5)0.0009 (6)0.0003 (5)
C1A0.0223 (8)0.0167 (7)0.0268 (8)0.0010 (6)0.0034 (7)0.0007 (6)
C2A0.0266 (9)0.0217 (8)0.0268 (9)0.0018 (7)0.0029 (7)0.0024 (7)
C3A0.0258 (9)0.0257 (9)0.0299 (9)0.0036 (7)0.0020 (7)0.0009 (8)
C4A0.0217 (9)0.0265 (9)0.0380 (11)0.0024 (7)0.0003 (8)0.0000 (8)
C5A0.0223 (9)0.0261 (9)0.0384 (11)0.0006 (7)0.0037 (8)0.0033 (8)
C6A0.0233 (8)0.0185 (7)0.0297 (9)0.0012 (6)0.0035 (7)0.0019 (7)
C7A0.0235 (8)0.0208 (7)0.0273 (9)0.0007 (6)0.0063 (7)0.0019 (7)
C8A0.0276 (9)0.0196 (7)0.0202 (7)0.0020 (7)0.0049 (7)0.0033 (6)
C9A0.0341 (10)0.0234 (8)0.0211 (8)0.0021 (8)0.0060 (7)0.0002 (7)
C10A0.0246 (8)0.0199 (7)0.0207 (7)0.0061 (6)0.0014 (6)0.0007 (6)
C11A0.0293 (10)0.0280 (9)0.0219 (8)0.0063 (8)0.0005 (7)0.0043 (7)
C12A0.0295 (10)0.0278 (9)0.0288 (9)0.0043 (8)0.0030 (8)0.0095 (8)
C13A0.0266 (9)0.0198 (8)0.0320 (10)0.0013 (7)0.0007 (8)0.0045 (7)
C14A0.0269 (9)0.0191 (7)0.0250 (8)0.0018 (7)0.0014 (7)0.0006 (7)
Cl1B0.0617 (4)0.0414 (3)0.0512 (4)0.0062 (3)0.0280 (4)0.0137 (3)
O1B0.0281 (7)0.0185 (5)0.0234 (6)0.0013 (5)0.0012 (5)0.0027 (5)
N1B0.0222 (7)0.0176 (6)0.0200 (6)0.0006 (5)0.0018 (5)0.0014 (5)
N2B0.0243 (7)0.0191 (6)0.0265 (7)0.0020 (6)0.0037 (6)0.0003 (6)
C1B0.0269 (9)0.0175 (7)0.0219 (8)0.0063 (6)0.0039 (7)0.0021 (6)
C2B0.0365 (11)0.0214 (8)0.0224 (8)0.0074 (7)0.0044 (8)0.0017 (7)
C3B0.0457 (13)0.0262 (9)0.0253 (9)0.0094 (9)0.0129 (9)0.0043 (8)
C4B0.0395 (12)0.0257 (9)0.0353 (11)0.0045 (8)0.0188 (10)0.0077 (8)
C5B0.0306 (10)0.0227 (8)0.0327 (10)0.0003 (7)0.0092 (8)0.0035 (8)
C6B0.0254 (9)0.0185 (7)0.0250 (8)0.0028 (6)0.0056 (7)0.0014 (6)
C7B0.0243 (8)0.0182 (7)0.0239 (8)0.0004 (6)0.0023 (7)0.0013 (6)
C8B0.0255 (8)0.0193 (7)0.0198 (7)0.0003 (6)0.0008 (6)0.0017 (6)
C9B0.0311 (10)0.0184 (7)0.0226 (8)0.0021 (7)0.0044 (7)0.0019 (6)
C10B0.0292 (9)0.0189 (7)0.0263 (9)0.0034 (7)0.0052 (7)0.0021 (7)
C11B0.0362 (12)0.0300 (10)0.0378 (12)0.0049 (9)0.0128 (10)0.0046 (9)
C12B0.0312 (11)0.0373 (11)0.0490 (14)0.0063 (10)0.0161 (11)0.0022 (11)
C13B0.0253 (10)0.0313 (10)0.0505 (14)0.0022 (8)0.0096 (10)0.0001 (10)
C14B0.0260 (9)0.0228 (8)0.0345 (10)0.0023 (7)0.0035 (8)0.0012 (8)
Cl1C0.0350 (3)0.0292 (2)0.0401 (3)0.0133 (2)0.0110 (2)0.0032 (2)
O1C0.0257 (7)0.0222 (6)0.0197 (6)0.0041 (5)0.0057 (5)0.0023 (5)
N1C0.0194 (6)0.0201 (6)0.0168 (6)0.0002 (5)0.0028 (5)0.0014 (5)
N2C0.0207 (7)0.0218 (7)0.0263 (7)0.0016 (6)0.0043 (6)0.0031 (6)
C1C0.0197 (7)0.0207 (7)0.0198 (7)0.0001 (6)0.0034 (6)0.0006 (6)
C2C0.0282 (9)0.0265 (8)0.0212 (8)0.0032 (7)0.0089 (7)0.0006 (7)
C3C0.0292 (10)0.0281 (9)0.0268 (9)0.0037 (8)0.0100 (8)0.0019 (8)
C4C0.0243 (9)0.0229 (8)0.0303 (9)0.0040 (7)0.0074 (8)0.0006 (7)
C5C0.0249 (9)0.0241 (8)0.0232 (8)0.0042 (7)0.0052 (7)0.0026 (7)
C6C0.0212 (8)0.0197 (7)0.0198 (7)0.0020 (6)0.0031 (6)0.0003 (6)
C7C0.0219 (8)0.0223 (7)0.0179 (7)0.0010 (6)0.0019 (6)0.0013 (6)
C8C0.0238 (8)0.0244 (8)0.0165 (7)0.0005 (6)0.0030 (6)0.0022 (6)
C9C0.0242 (9)0.0321 (9)0.0210 (8)0.0014 (7)0.0012 (7)0.0057 (7)
C10C0.0187 (8)0.0264 (8)0.0276 (9)0.0011 (7)0.0045 (7)0.0085 (7)
C11C0.0288 (10)0.0354 (11)0.0350 (11)0.0085 (9)0.0063 (9)0.0139 (9)
C12C0.0304 (11)0.0304 (10)0.0509 (14)0.0110 (9)0.0125 (10)0.0142 (10)
C13C0.0291 (10)0.0271 (9)0.0465 (13)0.0054 (8)0.0126 (10)0.0039 (9)
C14C0.0261 (9)0.0249 (8)0.0318 (10)0.0012 (7)0.0071 (8)0.0003 (8)
Cl10.0348 (3)0.0391 (3)0.0204 (2)0.0060 (2)0.00105 (19)0.00104 (19)
O110.0373 (9)0.0468 (10)0.0370 (9)0.0018 (8)0.0055 (7)0.0042 (8)
O120.0397 (10)0.0540 (11)0.0388 (10)0.0000 (9)0.0044 (8)0.0111 (9)
O130.0572 (13)0.0466 (11)0.0461 (11)0.0201 (10)0.0130 (10)0.0131 (9)
O140.0770 (16)0.0629 (14)0.0253 (8)0.0066 (12)0.0065 (10)0.0108 (9)
O1S0.0426 (16)0.0521 (16)0.104 (3)0.0025 (13)0.0178 (17)0.0312 (19)
C1S0.091 (4)0.074 (3)0.052 (3)0.000 (3)0.008 (3)0.001 (3)
C2S0.069 (3)0.074 (3)0.097 (3)0.010 (2)0.007 (3)0.017 (3)
C3S0.050 (2)0.061 (2)0.120 (3)0.0022 (18)0.024 (2)0.032 (2)
C4S0.066 (3)0.075 (3)0.132 (4)0.010 (3)0.040 (3)0.035 (3)
O1SB0.049 (3)0.056 (3)0.115 (3)0.002 (3)0.017 (3)0.031 (3)
C1SB0.069 (6)0.067 (5)0.101 (6)0.003 (5)0.015 (5)0.024 (6)
C2SB0.055 (3)0.062 (3)0.109 (3)0.004 (3)0.012 (3)0.027 (3)
C3SB0.050 (3)0.058 (3)0.114 (4)0.001 (3)0.023 (3)0.031 (3)
C4SB0.053 (5)0.069 (5)0.117 (5)0.011 (4)0.034 (5)0.026 (5)
C1DD0.058 (4)0.065 (4)0.117 (5)0.006 (4)0.029 (4)0.030 (4)
Cl7S0.066 (5)0.087 (5)0.098 (5)0.017 (4)0.054 (4)0.041 (5)
Cl8S0.064 (4)0.064 (4)0.127 (5)0.009 (3)0.025 (4)0.027 (4)
C1DA0.107 (6)0.127 (7)0.127 (6)0.012 (6)0.059 (6)0.021 (6)
Cl1S0.116 (4)0.101 (4)0.137 (4)0.024 (3)0.058 (3)0.021 (3)
Cl2S0.107 (5)0.130 (6)0.072 (3)0.051 (4)0.008 (3)0.017 (4)
C1DB0.121 (8)0.115 (8)0.127 (8)0.013 (8)0.063 (7)0.013 (8)
Cl3S0.191 (10)0.167 (10)0.186 (10)0.015 (10)0.054 (9)0.014 (10)
Cl4S0.102 (6)0.099 (6)0.107 (6)0.013 (5)0.045 (5)0.007 (5)
C1DC0.093 (5)0.132 (7)0.141 (6)0.015 (5)0.060 (5)0.004 (6)
Cl5S0.136 (3)0.085 (2)0.144 (4)0.036 (2)0.047 (3)0.001 (2)
Cl6S0.0647 (15)0.113 (3)0.069 (2)0.0062 (17)0.0313 (15)0.029 (2)
Geometric parameters (Å, º) top
Mn1—O3SA1.8831 (13)C10B—C11B1.397 (3)
Mn1—O1A1.9020 (14)C11B—C12B1.383 (4)
Mn1—O11.9427 (13)C11B—H11B0.9500
Mn1—N1A2.0202 (16)C12B—C13B1.388 (4)
Mn1—O1SA2.1973 (14)C12B—H12C0.9500
Mn1—N2A2.3640 (17)C13B—C14B1.379 (3)
Mn1—Mn33.0143 (4)C13B—H13B0.9500
Mn1—Mn23.0368 (4)C14B—H14A0.9500
Mn2—O1SA1.8880 (14)Cl1C—C4C1.740 (2)
Mn2—O1B1.8957 (14)O1C—C1C1.320 (2)
Mn2—O11.9344 (13)N1C—C7C1.284 (2)
Mn2—N1B2.0226 (16)N1C—C8C1.475 (2)
Mn2—O2SA2.2004 (13)N2C—C14C1.342 (3)
Mn2—N2B2.4312 (16)N2C—C10C1.349 (3)
Mn2—Mn33.0292 (4)C1C—C2C1.405 (3)
Mn3—O1C1.8858 (13)C1C—C6C1.420 (3)
Mn3—O2SA1.8858 (14)C2C—C3C1.379 (3)
Mn3—O11.9429 (12)C2C—H2CA0.9500
Mn3—N1C2.0121 (16)C3C—C4C1.395 (3)
Mn3—O3SA2.2157 (14)C3C—H3CA0.9500
Mn3—N2C2.3880 (17)C4C—C5C1.374 (3)
O1SA—C1SA1.415 (3)C5C—C6C1.403 (3)
C1SA—H1SA0.9800C5C—H5CA0.9500
C1SA—H1SB0.9800C6C—C7C1.442 (3)
C1SA—H1SC0.9800C7C—H7CA0.9500
O2SA—C2SA1.411 (2)C8C—C9C1.515 (3)
C2SA—H2SA0.9800C8C—H8CA0.9900
C2SA—H2SB0.9800C8C—H8CB0.9900
C2SA—H2SC0.9800C9C—C10C1.509 (3)
O3SA—C3SA1.415 (2)C9C—H9CA0.9900
C3SA—H3SA0.9800C9C—H9CB0.9900
C3SA—H3SB0.9800C10C—C11C1.396 (3)
C3SA—H3SC0.9800C11C—C12C1.376 (4)
Cl1A—C4A1.743 (2)C11C—H11C0.9500
O1A—C1A1.317 (2)C12C—C13C1.392 (4)
N1A—C7A1.279 (3)C12C—H12B0.9500
N1A—C8A1.474 (2)C13C—C14C1.384 (3)
N2A—C10A1.342 (2)C13C—H13C0.9500
N2A—C14A1.354 (3)C14C—H14C0.9500
C1A—C2A1.408 (3)Cl1—O141.4342 (19)
C1A—C6A1.424 (3)Cl1—O121.436 (2)
C2A—C3A1.380 (3)Cl1—O111.437 (2)
C2A—H2AA0.9500Cl1—O131.440 (2)
C3A—C4A1.391 (3)O1S—C3S1.393 (7)
C3A—H3AA0.9500O1S—C2S1.456 (8)
C4A—C5A1.370 (3)C1S—C2S1.391 (9)
C5A—C6A1.406 (3)C1S—H1S10.9800
C5A—H5AA0.9500C1S—H1S20.9800
C6A—C7A1.442 (3)C1S—H1S30.9800
C7A—H7AA0.9500C2S—H2S10.9900
C8A—C9A1.522 (3)C2S—H2S20.9900
C8A—H8AA0.9900C3S—C4S1.491 (10)
C8A—H8AB0.9900C3S—H3S10.9900
C9A—C10A1.512 (3)C3S—H3S20.9900
C9A—H9AA0.9900C4S—H4S10.9800
C9A—H9AB0.9900C4S—H4S20.9800
C10A—C11A1.387 (3)C4S—H4S30.9800
C11A—C12A1.380 (3)O1SB—C3SB1.374 (18)
C11A—H11A0.9500O1SB—C2SB1.464 (18)
C12A—C13A1.389 (3)C1SB—C2SB1.397 (18)
C12A—H12A0.9500C1SB—H1S40.9800
C13A—C14A1.374 (3)C1SB—H1S50.9800
C13A—H13A0.9500C1SB—H1S60.9800
C14A—H14B0.9500C2SB—H2S30.9900
Cl1B—C4B1.741 (2)C2SB—H2S40.9900
O1B—C1B1.321 (2)C3SB—C4SB1.53 (2)
N1B—C7B1.284 (2)C3SB—H3S30.9900
N1B—C8B1.475 (2)C3SB—H3S40.9900
N2B—C10B1.348 (3)C4SB—H4S40.9800
N2B—C14B1.351 (3)C4SB—H4S50.9800
C1B—C2B1.410 (3)C4SB—H4S60.9800
C1B—C6B1.413 (3)C1DD—Cl8S1.769 (19)
C2B—C3B1.384 (3)C1DD—Cl7S1.79 (2)
C2B—H2BA0.9500C1DD—H1D70.9900
C3B—C4B1.391 (4)C1DD—H1D80.9900
C3B—H3BA0.9500C1DA—Cl2S1.820 (15)
C4B—C5B1.375 (3)C1DA—Cl1S1.851 (14)
C5B—C6B1.412 (3)C1DA—H1D10.9900
C5B—H5BA0.9500C1DA—H1D20.9900
C6B—C7B1.445 (3)C1DB—Cl3S1.802 (19)
C7B—H7BA0.9500C1DB—Cl4S1.847 (19)
C8B—C9B1.521 (3)C1DB—H1D30.9900
C8B—H8BA0.9900C1DB—H1D40.9900
C8B—H8BB0.9900C1DC—Cl6S1.763 (11)
C9B—C10B1.501 (3)C1DC—Cl5S1.774 (11)
C9B—H9BA0.9900C1DC—H1D50.9900
C9B—H9BB0.9900C1DC—H1D60.9900
O3SA—Mn1—O1A93.06 (6)C3B—C2B—H2BA119.4
O3SA—Mn1—O186.09 (6)C1B—C2B—H2BA119.4
O1A—Mn1—O1169.71 (6)C2B—C3B—C4B120.1 (2)
O3SA—Mn1—N1A169.34 (7)C2B—C3B—H3BA119.9
O1A—Mn1—N1A88.59 (6)C4B—C3B—H3BA119.9
O1—Mn1—N1A94.13 (6)C5B—C4B—C3B120.6 (2)
O3SA—Mn1—O1SA99.02 (6)C5B—C4B—Cl1B120.0 (2)
O1A—Mn1—O1SA93.49 (6)C3B—C4B—Cl1B119.33 (17)
O1—Mn1—O1SA76.54 (5)C4B—C5B—C6B119.9 (2)
N1A—Mn1—O1SA91.39 (6)C4B—C5B—H5BA120.1
O3SA—Mn1—N2A90.57 (6)C6B—C5B—H5BA120.1
O1A—Mn1—N2A93.90 (6)C5B—C6B—C1B120.35 (19)
O1—Mn1—N2A96.36 (6)C5B—C6B—C7B117.56 (19)
N1A—Mn1—N2A78.80 (6)C1B—C6B—C7B121.98 (17)
O1SA—Mn1—N2A167.55 (5)N1B—C7B—C6B124.25 (18)
O3SA—Mn1—Mn347.14 (4)N1B—C7B—H7BA117.9
O1A—Mn1—Mn3139.82 (4)C6B—C7B—H7BA117.9
O1—Mn1—Mn339.13 (4)N1B—C8B—C9B110.84 (16)
N1A—Mn1—Mn3131.49 (5)N1B—C8B—H8BA109.5
O1SA—Mn1—Mn388.76 (4)C9B—C8B—H8BA109.5
N2A—Mn1—Mn392.03 (4)N1B—C8B—H8BB109.5
O3SA—Mn1—Mn294.02 (4)C9B—C8B—H8BB109.5
O1A—Mn1—Mn2131.69 (5)H8BA—C8B—H8BB108.1
O1—Mn1—Mn238.34 (4)C10B—C9B—C8B117.03 (16)
N1A—Mn1—Mn292.73 (5)C10B—C9B—H9BA108.0
O1SA—Mn1—Mn238.21 (4)C8B—C9B—H9BA108.0
N2A—Mn1—Mn2133.69 (4)C10B—C9B—H9BB108.0
Mn3—Mn1—Mn260.078 (9)C8B—C9B—H9BB108.0
O1SA—Mn2—O1B94.51 (6)H9BA—C9B—H9BB107.3
O1SA—Mn2—O184.57 (6)N2B—C10B—C11B121.1 (2)
O1B—Mn2—O1167.16 (6)N2B—C10B—C9B120.51 (17)
O1SA—Mn2—N1B168.92 (6)C11B—C10B—C9B118.32 (19)
O1B—Mn2—N1B89.61 (6)C12B—C11B—C10B120.3 (2)
O1—Mn2—N1B93.66 (6)C12B—C11B—H11B119.8
O1SA—Mn2—O2SA99.00 (6)C10B—C11B—H11B119.8
O1B—Mn2—O2SA90.61 (6)C11B—C12B—C13B118.4 (2)
O1—Mn2—O2SA76.92 (5)C11B—C12B—H12C120.8
N1B—Mn2—O2SA91.23 (6)C13B—C12B—H12C120.8
O1SA—Mn2—N2B91.23 (6)C14B—C13B—C12B118.3 (2)
O1B—Mn2—N2B97.21 (6)C14B—C13B—H13B120.8
O1—Mn2—N2B95.61 (5)C12B—C13B—H13B120.8
N1B—Mn2—N2B78.03 (6)N2B—C14B—C13B123.9 (2)
O2SA—Mn2—N2B166.61 (6)N2B—C14B—H14A118.1
O1SA—Mn2—Mn394.44 (4)C13B—C14B—H14A118.1
O1B—Mn2—Mn3128.92 (5)C1C—O1C—Mn3125.26 (11)
O1—Mn2—Mn338.72 (4)C7C—N1C—C8C117.21 (16)
N1B—Mn2—Mn390.93 (5)C7C—N1C—Mn3125.23 (12)
O2SA—Mn2—Mn338.30 (4)C8C—N1C—Mn3116.90 (12)
N2B—Mn2—Mn3132.71 (4)C14C—N2C—C10C118.06 (18)
O1SA—Mn2—Mn146.05 (4)C14C—N2C—Mn3112.58 (14)
O1B—Mn2—Mn1139.25 (5)C10C—N2C—Mn3129.29 (13)
O1—Mn2—Mn138.54 (4)O1C—C1C—C2C118.95 (17)
N1B—Mn2—Mn1131.09 (5)O1C—C1C—C6C123.37 (16)
O2SA—Mn2—Mn187.08 (4)C2C—C1C—C6C117.65 (17)
N2B—Mn2—Mn193.94 (4)C3C—C2C—C1C121.53 (18)
Mn3—Mn2—Mn159.592 (9)C3C—C2C—H2CA119.2
O1C—Mn3—O2SA93.83 (6)C1C—C2C—H2CA119.2
O1C—Mn3—O1168.22 (6)C2C—C3C—C4C119.76 (18)
O2SA—Mn3—O184.73 (6)C2C—C3C—H3CA120.1
O1C—Mn3—N1C89.85 (6)C4C—C3C—H3CA120.1
O2SA—Mn3—N1C168.84 (6)C5C—C4C—C3C120.70 (19)
O1—Mn3—N1C93.77 (6)C5C—C4C—Cl1C118.87 (16)
O1C—Mn3—O3SA91.10 (6)C3C—C4C—Cl1C120.43 (15)
O2SA—Mn3—O3SA97.04 (6)C4C—C5C—C6C119.93 (18)
O1—Mn3—O3SA77.51 (5)C4C—C5C—H5CA120.0
N1C—Mn3—O3SA93.42 (6)C6C—C5C—H5CA120.0
O1C—Mn3—N2C94.14 (6)C5C—C6C—C1C120.36 (16)
O2SA—Mn3—N2C91.35 (6)C5C—C6C—C7C117.53 (17)
O1—Mn3—N2C97.58 (5)C1C—C6C—C7C121.94 (16)
N1C—Mn3—N2C77.87 (6)N1C—C7C—C6C124.27 (17)
O3SA—Mn3—N2C169.80 (5)N1C—C7C—H7CA117.9
O1C—Mn3—Mn1129.62 (5)C6C—C7C—H7CA117.9
O2SA—Mn3—Mn193.74 (5)N1C—C8C—C9C109.69 (15)
O1—Mn3—Mn139.12 (4)N1C—C8C—H8CA109.7
N1C—Mn3—Mn192.01 (4)C9C—C8C—H8CA109.7
O3SA—Mn3—Mn138.53 (3)N1C—C8C—H8CB109.7
N2C—Mn3—Mn1135.34 (4)C9C—C8C—H8CB109.7
O1C—Mn3—Mn2139.48 (4)H8CA—C8C—H8CB108.2
O2SA—Mn3—Mn246.32 (4)C10C—C9C—C8C117.36 (17)
O1—Mn3—Mn238.52 (4)C10C—C9C—H9CA108.0
N1C—Mn3—Mn2130.66 (4)C8C—C9C—H9CA108.0
O3SA—Mn3—Mn287.80 (4)C10C—C9C—H9CB108.0
N2C—Mn3—Mn293.86 (4)C8C—C9C—H9CB108.0
Mn1—Mn3—Mn260.330 (9)H9CA—C9C—H9CB107.2
Mn2—O1—Mn1103.12 (6)N2C—C10C—C11C121.4 (2)
Mn2—O1—Mn3102.75 (6)N2C—C10C—C9C120.81 (17)
Mn1—O1—Mn3101.75 (6)C11C—C10C—C9C117.7 (2)
C1SA—O1SA—Mn2126.08 (13)C12C—C11C—C10C119.9 (2)
C1SA—O1SA—Mn1132.90 (13)C12C—C11C—H11C120.0
Mn2—O1SA—Mn195.74 (6)C10C—C11C—H11C120.0
O1SA—C1SA—H1SA109.5C11C—C12C—C13C118.8 (2)
O1SA—C1SA—H1SB109.5C11C—C12C—H12B120.6
H1SA—C1SA—H1SB109.5C13C—C12C—H12B120.6
O1SA—C1SA—H1SC109.5C14C—C13C—C12C118.1 (2)
H1SA—C1SA—H1SC109.5C14C—C13C—H13C120.9
H1SB—C1SA—H1SC109.5C12C—C13C—H13C120.9
C2SA—O2SA—Mn3127.25 (12)N2C—C14C—C13C123.6 (2)
C2SA—O2SA—Mn2131.89 (13)N2C—C14C—H14C118.2
Mn3—O2SA—Mn295.38 (5)C13C—C14C—H14C118.2
O2SA—C2SA—H2SA109.5O14—Cl1—O12109.50 (14)
O2SA—C2SA—H2SB109.5O14—Cl1—O11110.07 (14)
H2SA—C2SA—H2SB109.5O12—Cl1—O11108.90 (12)
O2SA—C2SA—H2SC109.5O14—Cl1—O13109.35 (13)
H2SA—C2SA—H2SC109.5O12—Cl1—O13109.75 (13)
H2SB—C2SA—H2SC109.5O11—Cl1—O13109.27 (14)
C3SA—O3SA—Mn1123.27 (13)C3S—O1S—C2S111.9 (5)
C3SA—O3SA—Mn3123.15 (12)C2S—C1S—H1S1109.5
Mn1—O3SA—Mn394.33 (5)C2S—C1S—H1S2109.5
O3SA—C3SA—H3SA109.5H1S1—C1S—H1S2109.5
O3SA—C3SA—H3SB109.5C2S—C1S—H1S3109.5
H3SA—C3SA—H3SB109.5H1S1—C1S—H1S3109.5
O3SA—C3SA—H3SC109.5H1S2—C1S—H1S3109.5
H3SA—C3SA—H3SC109.5C1S—C2S—O1S110.7 (5)
H3SB—C3SA—H3SC109.5C1S—C2S—H2S1109.5
C1A—O1A—Mn1125.06 (12)O1S—C2S—H2S1109.5
C7A—N1A—C8A119.33 (16)C1S—C2S—H2S2109.5
C7A—N1A—Mn1124.48 (14)O1S—C2S—H2S2109.5
C8A—N1A—Mn1116.07 (12)H2S1—C2S—H2S2108.1
C10A—N2A—C14A117.84 (17)O1S—C3S—C4S109.1 (6)
C10A—N2A—Mn1129.20 (13)O1S—C3S—H3S1109.9
C14A—N2A—Mn1112.95 (12)C4S—C3S—H3S1109.9
O1A—C1A—C2A118.92 (17)O1S—C3S—H3S2109.9
O1A—C1A—C6A122.97 (18)C4S—C3S—H3S2109.9
C2A—C1A—C6A118.07 (18)H3S1—C3S—H3S2108.3
C3A—C2A—C1A121.22 (19)C3S—C4S—H4S1109.5
C3A—C2A—H2AA119.4C3S—C4S—H4S2109.5
C1A—C2A—H2AA119.4H4S1—C4S—H4S2109.5
C2A—C3A—C4A119.8 (2)C3S—C4S—H4S3109.5
C2A—C3A—H3AA120.1H4S1—C4S—H4S3109.5
C4A—C3A—H3AA120.1H4S2—C4S—H4S3109.5
C5A—C4A—C3A121.1 (2)C3SB—O1SB—C2SB113.7 (17)
C5A—C4A—Cl1A119.65 (17)C2SB—C1SB—H1S4109.5
C3A—C4A—Cl1A119.26 (18)C2SB—C1SB—H1S5109.5
C4A—C5A—C6A120.1 (2)H1S4—C1SB—H1S5109.5
C4A—C5A—H5AA119.9C2SB—C1SB—H1S6109.5
C6A—C5A—H5AA119.9H1S4—C1SB—H1S6109.5
C5A—C6A—C1A119.73 (19)H1S5—C1SB—H1S6109.5
C5A—C6A—C7A119.00 (18)C1SB—C2SB—O1SB120.9 (19)
C1A—C6A—C7A121.18 (18)C1SB—C2SB—H2S3107.1
N1A—C7A—C6A125.11 (17)O1SB—C2SB—H2S3107.1
N1A—C7A—H7AA117.4C1SB—C2SB—H2S4107.1
C6A—C7A—H7AA117.4O1SB—C2SB—H2S4107.1
N1A—C8A—C9A111.32 (15)H2S3—C2SB—H2S4106.8
N1A—C8A—H8AA109.4O1SB—C3SB—C4SB105.4 (18)
C9A—C8A—H8AA109.4O1SB—C3SB—H3S3110.7
N1A—C8A—H8AB109.4C4SB—C3SB—H3S3110.7
C9A—C8A—H8AB109.4O1SB—C3SB—H3S4110.7
H8AA—C8A—H8AB108.0C4SB—C3SB—H3S4110.7
C10A—C9A—C8A118.38 (16)H3S3—C3SB—H3S4108.8
C10A—C9A—H9AA107.7C3SB—C4SB—H4S4109.5
C8A—C9A—H9AA107.7C3SB—C4SB—H4S5109.5
C10A—C9A—H9AB107.7H4S4—C4SB—H4S5109.5
C8A—C9A—H9AB107.7C3SB—C4SB—H4S6109.5
H9AA—C9A—H9AB107.1H4S4—C4SB—H4S6109.5
N2A—C10A—C11A121.50 (19)H4S5—C4SB—H4S6109.5
N2A—C10A—C9A120.97 (18)Cl8S—C1DD—Cl7S111.6 (14)
C11A—C10A—C9A117.52 (18)Cl8S—C1DD—H1D7109.3
C12A—C11A—C10A120.2 (2)Cl7S—C1DD—H1D7109.3
C12A—C11A—H11A119.9Cl8S—C1DD—H1D8109.3
C10A—C11A—H11A119.9Cl7S—C1DD—H1D8109.3
C11A—C12A—C13A118.5 (2)H1D7—C1DD—H1D8108.0
C11A—C12A—H12A120.7Cl2S—C1DA—Cl1S112.1 (8)
C13A—C12A—H12A120.7Cl2S—C1DA—H1D1109.2
C14A—C13A—C12A118.3 (2)Cl1S—C1DA—H1D1109.2
C14A—C13A—H13A120.8Cl2S—C1DA—H1D2109.2
C12A—C13A—H13A120.8Cl1S—C1DA—H1D2109.2
N2A—C14A—C13A123.58 (19)H1D1—C1DA—H1D2107.9
N2A—C14A—H14B118.2Cl3S—C1DB—Cl4S101.3 (12)
C13A—C14A—H14B118.2Cl3S—C1DB—H1D3111.5
C1B—O1B—Mn2123.98 (13)Cl4S—C1DB—H1D3111.5
C7B—N1B—C8B117.97 (16)Cl3S—C1DB—H1D4111.5
C7B—N1B—Mn2124.50 (14)Cl4S—C1DB—H1D4111.5
C8B—N1B—Mn2117.28 (12)H1D3—C1DB—H1D4109.3
C10B—N2B—C14B117.79 (18)Cl6S—C1DC—Cl5S115.1 (6)
C10B—N2B—Mn2128.74 (14)Cl6S—C1DC—H1D5108.5
C14B—N2B—Mn2113.27 (13)Cl5S—C1DC—H1D5108.5
O1B—C1B—C2B118.53 (19)Cl6S—C1DC—H1D6108.5
O1B—C1B—C6B123.58 (17)Cl5S—C1DC—H1D6108.5
C2B—C1B—C6B117.86 (18)H1D5—C1DC—H1D6107.5
C3B—C2B—C1B121.1 (2)
O1B—Mn2—O1SA—C1SA11.50 (18)Mn2—O1B—C1B—C2B149.28 (14)
O1—Mn2—O1SA—C1SA155.65 (17)Mn2—O1B—C1B—C6B32.5 (2)
N1B—Mn2—O1SA—C1SA123.1 (3)O1B—C1B—C2B—C3B177.07 (18)
O2SA—Mn2—O1SA—C1SA79.84 (17)C6B—C1B—C2B—C3B1.2 (3)
N2B—Mn2—O1SA—C1SA108.83 (17)C1B—C2B—C3B—C4B0.7 (3)
Mn3—Mn2—O1SA—C1SA118.16 (17)C2B—C3B—C4B—C5B0.3 (3)
Mn1—Mn2—O1SA—C1SA156.89 (19)C2B—C3B—C4B—Cl1B179.10 (17)
O1B—Mn2—O1SA—Mn1168.38 (6)C3B—C4B—C5B—C6B0.6 (3)
O1—Mn2—O1SA—Mn11.24 (5)Cl1B—C4B—C5B—C6B179.33 (16)
N1B—Mn2—O1SA—Mn180.1 (3)C4B—C5B—C6B—C1B1.1 (3)
O2SA—Mn2—O1SA—Mn177.04 (6)C4B—C5B—C6B—C7B177.37 (19)
N2B—Mn2—O1SA—Mn194.28 (6)O1B—C1B—C6B—C5B176.75 (18)
Mn3—Mn2—O1SA—Mn138.73 (4)C2B—C1B—C6B—C5B1.5 (3)
O1C—Mn3—O2SA—C2SA15.62 (18)O1B—C1B—C6B—C7B0.7 (3)
O1—Mn3—O2SA—C2SA152.65 (18)C2B—C1B—C6B—C7B177.51 (18)
N1C—Mn3—O2SA—C2SA124.6 (3)C8B—N1B—C7B—C6B173.93 (18)
O3SA—Mn3—O2SA—C2SA75.96 (17)Mn2—N1B—C7B—C6B0.1 (3)
N2C—Mn3—O2SA—C2SA109.86 (17)C5B—C6B—C7B—N1B166.57 (19)
Mn1—Mn3—O2SA—C2SA114.53 (17)C1B—C6B—C7B—N1B17.3 (3)
Mn2—Mn3—O2SA—C2SA156.1 (2)C7B—N1B—C8B—C9B87.5 (2)
O1C—Mn3—O2SA—Mn2171.71 (6)Mn2—N1B—C8B—C9B86.97 (16)
O1—Mn3—O2SA—Mn23.44 (5)N1B—C8B—C9B—C10B60.5 (2)
N1C—Mn3—O2SA—Mn279.3 (3)C14B—N2B—C10B—C11B3.5 (3)
O3SA—Mn3—O2SA—Mn280.13 (5)Mn2—N2B—C10B—C11B171.07 (16)
N2C—Mn3—O2SA—Mn294.05 (6)C14B—N2B—C10B—C9B174.60 (18)
Mn1—Mn3—O2SA—Mn241.55 (4)Mn2—N2B—C10B—C9B10.8 (3)
O1A—Mn1—O3SA—C3SA38.94 (16)C8B—C9B—C10B—N2B24.6 (3)
O1—Mn1—O3SA—C3SA130.79 (15)C8B—C9B—C10B—C11B157.28 (19)
N1A—Mn1—O3SA—C3SA137.6 (3)N2B—C10B—C11B—C12B2.0 (3)
O1SA—Mn1—O3SA—C3SA55.09 (15)C9B—C10B—C11B—C12B176.2 (2)
N2A—Mn1—O3SA—C3SA132.88 (15)C10B—C11B—C12B—C13B1.2 (4)
Mn3—Mn1—O3SA—C3SA134.88 (17)C11B—C12B—C13B—C14B2.8 (4)
Mn2—Mn1—O3SA—C3SA93.24 (15)C10B—N2B—C14B—C13B1.9 (3)
O1A—Mn1—O3SA—Mn3173.82 (6)Mn2—N2B—C14B—C13B173.49 (19)
O1—Mn1—O3SA—Mn34.09 (5)C12B—C13B—C14B—N2B1.3 (4)
N1A—Mn1—O3SA—Mn387.5 (3)O2SA—Mn3—O1C—C1C156.03 (16)
O1SA—Mn1—O3SA—Mn379.79 (6)O1—Mn3—O1C—C1C73.5 (3)
N2A—Mn1—O3SA—Mn392.24 (6)N1C—Mn3—O1C—C1C34.51 (16)
Mn2—Mn1—O3SA—Mn341.64 (4)O3SA—Mn3—O1C—C1C58.90 (16)
Mn1—O1A—C1A—C2A150.67 (14)N2C—Mn3—O1C—C1C112.34 (16)
Mn1—O1A—C1A—C6A31.5 (3)Mn1—Mn3—O1C—C1C57.96 (17)
O1A—C1A—C2A—C3A179.92 (19)Mn2—Mn3—O1C—C1C146.80 (13)
C6A—C1A—C2A—C3A2.0 (3)Mn3—O1C—C1C—C2C151.70 (15)
C1A—C2A—C3A—C4A1.4 (3)Mn3—O1C—C1C—C6C30.7 (3)
C2A—C3A—C4A—C5A0.2 (3)O1C—C1C—C2C—C3C176.40 (19)
C2A—C3A—C4A—Cl1A178.09 (17)C6C—C1C—C2C—C3C1.4 (3)
C3A—C4A—C5A—C6A1.2 (3)C1C—C2C—C3C—C4C0.6 (3)
Cl1A—C4A—C5A—C6A179.03 (17)C2C—C3C—C4C—C5C1.1 (3)
C4A—C5A—C6A—C1A0.5 (3)C2C—C3C—C4C—Cl1C178.87 (17)
C4A—C5A—C6A—C7A176.9 (2)C3C—C4C—C5C—C6C0.3 (3)
O1A—C1A—C6A—C5A178.87 (19)Cl1C—C4C—C5C—C6C179.73 (16)
C2A—C1A—C6A—C5A1.0 (3)C4C—C5C—C6C—C1C2.2 (3)
O1A—C1A—C6A—C7A2.6 (3)C4C—C5C—C6C—C7C177.53 (19)
C2A—C1A—C6A—C7A175.30 (18)O1C—C1C—C6C—C5C174.91 (19)
C8A—N1A—C7A—C6A172.91 (18)C2C—C1C—C6C—C5C2.8 (3)
Mn1—N1A—C7A—C6A3.0 (3)O1C—C1C—C6C—C7C0.2 (3)
C5A—C6A—C7A—N1A166.8 (2)C2C—C1C—C6C—C7C177.84 (19)
C1A—C6A—C7A—N1A16.9 (3)C8C—N1C—C7C—C6C170.75 (17)
C7A—N1A—C8A—C9A91.0 (2)Mn3—N1C—C7C—C6C0.3 (3)
Mn1—N1A—C8A—C9A85.20 (17)C5C—C6C—C7C—N1C169.30 (19)
N1A—C8A—C9A—C10A52.4 (2)C1C—C6C—C7C—N1C15.5 (3)
C14A—N2A—C10A—C11A2.5 (3)C7C—N1C—C8C—C9C82.6 (2)
Mn1—N2A—C10A—C11A176.53 (14)Mn3—N1C—C8C—C9C88.59 (17)
C14A—N2A—C10A—C9A176.13 (18)N1C—C8C—C9C—C10C56.7 (2)
Mn1—N2A—C10A—C9A4.8 (3)C14C—N2C—C10C—C11C2.3 (3)
C8A—C9A—C10A—N2A14.3 (3)Mn3—N2C—C10C—C11C179.10 (15)
C8A—C9A—C10A—C11A167.00 (18)C14C—N2C—C10C—C9C174.83 (18)
N2A—C10A—C11A—C12A1.4 (3)Mn3—N2C—C10C—C9C2.0 (3)
C9A—C10A—C11A—C12A177.28 (19)C8C—C9C—C10C—N2C16.5 (3)
C10A—C11A—C12A—C13A0.7 (3)C8C—C9C—C10C—C11C166.31 (18)
C11A—C12A—C13A—C14A1.5 (3)N2C—C10C—C11C—C12C1.4 (3)
C10A—N2A—C14A—C13A1.6 (3)C9C—C10C—C11C—C12C175.8 (2)
Mn1—N2A—C14A—C13A177.56 (16)C10C—C11C—C12C—C13C0.6 (3)
C12A—C13A—C14A—N2A0.4 (3)C11C—C12C—C13C—C14C1.7 (3)
O1SA—Mn2—O1B—C1B152.89 (14)C10C—N2C—C14C—C13C1.2 (3)
O1—Mn2—O1B—C1B67.5 (3)Mn3—N2C—C14C—C13C178.53 (17)
N1B—Mn2—O1B—C1B37.41 (14)C12C—C13C—C14C—N2C0.8 (3)
O2SA—Mn2—O1B—C1B53.82 (14)C3S—O1S—C2S—C1S176.8 (5)
N2B—Mn2—O1B—C1B115.29 (14)C2S—O1S—C3S—C4S177.0 (5)
Mn3—Mn2—O1B—C1B53.48 (16)C3SB—O1SB—C2SB—C1SB12 (3)
Mn1—Mn2—O1B—C1B140.06 (12)C2SB—O1SB—C3SB—C4SB179 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C2SA—H2SA···O1C0.982.422.991 (3)117
C5A—H5AA···Cl8S0.952.943.874 (11)168
C5A—H5AA···Cl3Si0.952.723.39 (2)128
C8A—H8AA···O10.992.403.061 (2)123
C14A—H14B···O3SA0.952.443.036 (2)120
C3B—H3BA···Cl1Cii0.952.913.758 (2)149
C8B—H8BA···O10.992.453.089 (2)122
C9B—H9BA···O1Aiii0.992.473.335 (2)145
C9B—H9BB···O11iv0.992.543.241 (3)128
C14B—H14A···O1SA0.952.533.116 (2)120
C5C—H5CA···O140.952.383.300 (3)164
C7C—H7CA···O130.952.553.478 (3)164
C8C—H8CA···O10.992.433.079 (2)123
C9C—H9CA···Cl7Sv0.992.683.631 (11)161
C9C—H9CB···O12iv0.992.573.371 (3)138
C9C—H9CB···O13iv0.992.643.403 (3)134
C13C—H13C···Cl1Svi0.952.803.698 (6)159
C13C—H13C···Cl4Svi0.952.523.441 (12)163
C13C—H13C···Cl5Svi0.952.913.843 (5)169
C14C—H14C···O2SA0.952.473.082 (3)122
C1DA—H1D1···O110.992.533.201 (15)125
C1DA—H1D1···O140.992.653.63 (2)169
C1DC—H1D6···O110.992.243.176 (10)158
Symmetry codes: (i) x1, y, z; (ii) x+1, y+1, z+1; (iii) x+1/2, y1/2, z+3/2; (iv) x+1, y+1, z+2; (v) x+1, y, z; (vi) x+3/2, y1/2, z+3/2.
 

Acknowledgements

RJB is grateful for the NSF award 1205608, Partnership for Reduced Dimensional Materials for partial funding of this research as well as the Howard University Nanoscience Facility access to liquid nitro­gen. RJB acknowledges the NSF MRI program (grant No. CHE-0619278) for funds to purchase an X-ray diffractometer.

Funding information

Funding for this research was provided by: National Science Foundation, Directorate for Mathematical and Physical Sciences (grant No. CHE-0619278; grant No. 1205608).

References

First citationAgilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, England.  Google Scholar
First citationFeng, P. L., Koo, C., Henderson, J. J., Manning, P., Nakano, M., del Barco, E., Hill, S. & Hendrickson, D. N. (2009). Inorg. Chem. 48, 3480–3492.  Web of Science CSD CrossRef PubMed CAS Google Scholar
First citationGatteschi, D. & Sessoli, R. (2003). Angew. Chem. Int. Ed. 42, 268–297.  Web of Science CrossRef CAS Google Scholar
First citationGroom, C. R., Bruno, I. J., Lightfoot, M. P. & Ward, S. C. (2016). Acta Cryst. B72, 171–179.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationJahn, H. A. & Teller, E. (1937). Proc. R. Soc. London Ser. A, 161, 220–235.  CrossRef CAS Google Scholar
First citationMilios, G. J., Raptopoulou, C. P., Terzis, A., Lloret, F., Vicente, R., Perlepes, S. P. & Escuer, A. (2004). Angew. Chem. Int. Ed. 43, 210–212.  Web of Science CSD CrossRef CAS Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationSheldrick, G. M. (2015). Acta Cryst. C71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
First citationTasiopoulos, A. J., Vinslava, A., Wernsdorfer, W., Abboud, K. A. & Christou, G. (2004). Angew. Chem. Int. Ed. 43, 2117–2121.  Web of Science CSD CrossRef CAS Google Scholar

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