Bis­(di­meth­oxy­ethane-1κ2O,O′)penta­kis­(1,1,1,3,3,3-hexa­fluoro­propan-2-olato)-2κ3O,3κ2O-μ-hy­droxido-1:3κ2O-μ3-oxido-1:2:3κ3O-magnesiumdialuminium

Lozinšek, M.; Pavčnik, T.; Bitenc, J.

doi:10.1107/S2414314623007162

Bis(dimethoxyethane-1κ²O,O′)pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ³O,3κ²O-μ-hydroxido-1:3κ²O-μ₃-oxido-1:2:3κ³O-magnesiumdialuminium

Partial hydrolysis of a sample of [Mg(dme)₃][Al(hfip)₄]₂ crystals led to the formation of the title complex, [Mg(dme)₂{HOAl(hfip)₂OAl(hfip)₃}] (dme = dimethoxyethane and hfipH = hexafluoroisopropanol) or [Mg(C₄H₁₀O₂)₂O(OH)Al₂(C₃HF₆O)₅]. The magnesium cation exhibits a distorted octahedral coordination with two bidentate dimethoxyethane molecules and a dinuclear aluminate anion, coordinated to Mg²⁺ via oxido and hydroxido units. The anion is an oxido-bridged species, [HOAl(hfip)₂(μ-O)Al(hfip)₃]^2–, with one Al³⁺ cation tetrahedrally coordinated by an oxido (O^2–) anion, a hydroxido anion, and two hfip groups, whereas the second Al³⁺ cation is coordinated by the oxido anion and three hfip groups.

Keywords: fluorinated alkoxyaluminate; hfip; magnesium battery electrolyte; crystal structure.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314623007162/hb4443sup1.cif Contains datablock I
	Structure factor file (CIF format) https://doi.org/10.1107/S2414314623007162/hb4443Isup2.hkl Contains datablock I

CCDC reference: 2156683

checkCIF report

Key indicators

Structure: I

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.001 Å
R factor = 0.033
wR factor = 0.091
Data-to-parameter ratio = 28.6

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16      --C17      .        6.2 s.u.
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          2 Report

Alert level G
PLAT063_ALERT_4_G Crystal Size Possibly too Large for Beam Size ..       0.74 mm
PLAT142_ALERT_4_G s.u. on b - Axis Small or Missing ..............    0.00016 Ang.
PLAT143_ALERT_4_G s.u. on c - Axis Small or Missing ..............    0.00017 Ang.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Mg1      --O1       .        5.3 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Mg1      --O3       .        5.3 s.u.
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of         C9 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C11 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C12 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C14 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C18 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C21 Check
PLAT480_ALERT_4_G Long H...A H-Bond Reported H19      ..O8       .       2.62 Ang.
PLAT794_ALERT_5_G Tentative Bond Valency for Al1       (III)     .       2.84 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Al2       (III)     .       2.85 Info
PLAT802_ALERT_4_G CIF Input Record(s) with more than 80 Characters          3 Info
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          3 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600       1845 Note
PLAT951_ALERT_5_G Calculated (ThMax) and CIF-Reported Kmax Differ           3 Units
PLAT957_ALERT_1_G Calculated (ThMax) and Actual (FCF) Kmax Differ           3 Units
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.         11 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  20 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   3 ALERT type 5 Informative message, check

Computing details top

Data collection: CrysAlis PRO 1.171.41.123a (Rigaku OD, 2022); cell refinement: CrysAlis PRO 1.171.41.123a (Rigaku OD, 2022); data reduction: CrysAlis PRO 1.171.41.123a (Rigaku OD, 2022); program(s) used to solve structure: olex2.solve 1.5 (Dolomanov et al., 2009); program(s) used to refine structure: SHELXL2019/2 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2005); software used to prepare material for publication: Olex2 1.5 (Dolomanov et al., 2009), publCIF (Westrip, 2010).

Bis(dimethoxyethane-1κ²O,O')pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ³O,3κ²O-µ-hydroxido-1:3κ²O-µ₃-oxido-1:2:3κ³O-magnesiumdialuminium top

Crystal data top

[Al₂Mg(C₃HF₆O)₅O(OH)(C₄H₁₀O₂)₂]	F(000) = 2240
M_r = 1126.71	D_x = 1.856 Mg m⁻³
Monoclinic, P2₁/n	Ag Kα radiation, λ = 0.56087 Å
a = 10.68706 (9) Å	Cell parameters from 111325 reflections
b = 19.53919 (16) Å	θ = 1.9–29.3°
c = 19.31983 (17) Å	µ = 0.15 mm⁻¹
β = 91.7888 (7)°	T = 100 K
V = 4032.33 (6) Å³	Block, colourless
Z = 4	0.74 × 0.58 × 0.36 mm

Data collection top

XtaLAB Synergy, Dualflex, Eiger2 R CdTe 1M diffractometer	20244 independent reflections
Radiation source: micro-focus sealed X-ray tube, PhotonJet (Ag) X-ray Source	16165 reflections with I > 2σ(I)
Mirror monochromator	R_int = 0.030
Detector resolution: 13.3333 pixels mm^-1	θ_max = 29.2°, θ_min = 1.7°
ω scans	h = −18→17
Absorption correction: gaussian (CrysAlisPro; Rigaku OD, 2022)	k = −31→29
T_min = 0.190, T_max = 1.000	l = −33→31
271135 measured reflections

Refinement top

Refinement on F²	Primary atom site location: iterative
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F² > 2σ(F²)] = 0.033	All H-atom parameters refined
wR(F²) = 0.091	w = 1/[σ²(F_o²) + (0.0393P)² + 1.1133P] where P = (F_o² + 2F_c²)/3
S = 1.04	(Δ/σ)_max = 0.001
20244 reflections	Δρ_max = 0.51 e Å⁻³
708 parameters	Δρ_min = −0.41 e Å⁻³
0 restraints

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
Al1	0.41472 (2)	0.33992 (2)	0.19998 (2)	0.01624 (4)
Al2	0.56934 (2)	0.45794 (2)	0.27249 (2)	0.01543 (4)
Mg1	0.46648 (3)	0.30191 (2)	0.33805 (2)	0.01728 (5)
F1	0.06620 (6)	0.46975 (3)	0.17179 (3)	0.03163 (12)
F2	0.22151 (6)	0.51573 (3)	0.12258 (4)	0.04067 (16)
F3	0.07180 (7)	0.47128 (4)	0.06062 (4)	0.04243 (16)
F4	0.04732 (7)	0.33194 (4)	0.16943 (5)	0.04363 (17)
F5	0.19142 (6)	0.27618 (3)	0.11852 (4)	0.03338 (12)
F6	0.05329 (8)	0.33255 (4)	0.05821 (5)	0.0517 (2)
F7	0.73093 (7)	0.27815 (4)	0.09021 (5)	0.04776 (18)
F8	0.66025 (9)	0.21707 (5)	0.17359 (4)	0.0572 (2)
F9	0.67081 (8)	0.17495 (4)	0.07174 (4)	0.04579 (17)
F10	0.55645 (7)	0.30952 (4)	−0.01500 (3)	0.04094 (15)
F11	0.36460 (6)	0.28918 (4)	0.00501 (3)	0.03925 (14)
F12	0.48778 (10)	0.20632 (4)	−0.01903 (4)	0.0544 (2)
F13	0.49310 (7)	0.65885 (3)	0.36062 (3)	0.03434 (13)
F14	0.60216 (6)	0.63480 (3)	0.27238 (4)	0.03464 (13)
F15	0.43057 (7)	0.69180 (3)	0.25870 (4)	0.03847 (14)
F16	0.27865 (6)	0.58285 (4)	0.37760 (3)	0.03851 (14)
F17	0.22303 (5)	0.51681 (3)	0.29389 (3)	0.03107 (12)
F18	0.21428 (6)	0.62570 (3)	0.27978 (5)	0.04278 (17)
F19	0.81725 (6)	0.51700 (4)	0.11235 (4)	0.03499 (13)
F20	0.77974 (6)	0.41675 (3)	0.15412 (4)	0.03677 (13)
F21	0.74822 (7)	0.43637 (4)	0.04498 (4)	0.04225 (16)
F22	0.61743 (6)	0.60467 (3)	0.11394 (3)	0.03073 (12)
F23	0.44244 (6)	0.55794 (3)	0.08514 (3)	0.03263 (12)
F24	0.59871 (6)	0.54889 (3)	0.01780 (3)	0.03319 (12)
F25	0.96494 (6)	0.46007 (4)	0.30957 (4)	0.03830 (14)
F26	0.86681 (6)	0.53893 (4)	0.25256 (3)	0.03504 (13)
F27	0.96813 (6)	0.56408 (4)	0.34683 (4)	0.04336 (17)
F28	0.86092 (7)	0.42067 (3)	0.43543 (3)	0.03476 (13)
F29	0.69549 (6)	0.47610 (3)	0.46362 (3)	0.03220 (12)
F30	0.87415 (6)	0.52693 (4)	0.46509 (3)	0.03517 (13)
O1	0.29692 (6)	0.34050 (3)	0.37637 (3)	0.02293 (10)
O2	0.52465 (6)	0.34968 (3)	0.43109 (3)	0.02254 (10)
O3	0.44219 (6)	0.20753 (3)	0.38991 (3)	0.02446 (11)
O4	0.63661 (6)	0.25207 (3)	0.32627 (3)	0.02330 (11)
O5	0.37785 (6)	0.26714 (3)	0.24941 (3)	0.02023 (10)
H5	0.3322 (16)	0.2404 (9)	0.2369 (9)	0.049 (4)*
O6	0.50145 (5)	0.37714 (3)	0.26817 (3)	0.01686 (9)
O7	0.28867 (6)	0.39253 (3)	0.17783 (3)	0.02079 (10)
O8	0.49285 (6)	0.31877 (3)	0.12510 (3)	0.02178 (10)
O9	0.47985 (5)	0.52008 (3)	0.31503 (3)	0.01874 (9)
O10	0.58483 (6)	0.49367 (3)	0.19124 (3)	0.02288 (11)
O11	0.70824 (5)	0.45135 (3)	0.32217 (3)	0.01976 (10)
C1	0.17918 (9)	0.34707 (5)	0.33840 (5)	0.02870 (16)
H1A	0.1831 (14)	0.3858 (8)	0.3053 (8)	0.038 (4)*
H1C	0.1646 (15)	0.3046 (8)	0.3152 (8)	0.040 (4)*
H1B	0.1156 (14)	0.3533 (8)	0.3718 (8)	0.040 (4)*
C2	0.32258 (10)	0.39816 (5)	0.42095 (5)	0.02961 (17)
H2A	0.3473 (14)	0.4374 (8)	0.3930 (8)	0.037 (4)*
H2B	0.2469 (14)	0.4092 (8)	0.4451 (8)	0.039 (4)*
C3	0.42423 (10)	0.37570 (5)	0.47120 (5)	0.03070 (17)
H3B	0.4521 (13)	0.4121 (7)	0.4995 (7)	0.031 (3)*
H3A	0.3943 (14)	0.3386 (8)	0.5004 (8)	0.035 (4)*
C4	0.62251 (11)	0.32156 (5)	0.47528 (5)	0.03130 (18)
H4B	0.6448 (14)	0.3529 (8)	0.5115 (8)	0.037 (4)*
H4C	0.6937 (16)	0.3137 (8)	0.4477 (9)	0.045 (4)*
H4A	0.5926 (15)	0.2781 (9)	0.4935 (9)	0.045 (4)*
C5	0.32458 (11)	0.18162 (5)	0.41272 (6)	0.0359 (2)
H5C	0.2789 (14)	0.2185 (8)	0.4320 (8)	0.038 (4)*
H5A	0.2754 (16)	0.1637 (9)	0.3727 (9)	0.048 (4)*
H5B	0.3371 (17)	0.1489 (9)	0.4475 (10)	0.052 (5)*
C6	0.51608 (9)	0.15551 (4)	0.35816 (5)	0.02861 (16)
H6A	0.4813 (12)	0.1462 (7)	0.3124 (7)	0.027 (3)*
H6B	0.5159 (13)	0.1139 (8)	0.3857 (8)	0.034 (4)*
C7	0.64631 (9)	0.18360 (4)	0.35300 (5)	0.02821 (16)
H7A	0.6873 (14)	0.1849 (8)	0.3989 (8)	0.035 (4)*
H7B	0.6992 (13)	0.1562 (7)	0.3216 (7)	0.029 (3)*
C8	0.75742 (9)	0.28065 (5)	0.31208 (6)	0.03016 (17)
H8A	0.8135 (15)	0.2785 (8)	0.3543 (8)	0.043 (4)*
H8C	0.7467 (14)	0.3266 (8)	0.2988 (8)	0.038 (4)*
H8B	0.7958 (14)	0.2541 (8)	0.2782 (8)	0.039 (4)*
C9	0.14136 (8)	0.46345 (5)	0.11889 (5)	0.02515 (14)
C10	0.21298 (7)	0.39570 (4)	0.11929 (4)	0.02025 (12)
H10	0.2557 (12)	0.3934 (7)	0.0767 (7)	0.024 (3)*
C11	0.12361 (9)	0.33443 (5)	0.11643 (5)	0.02846 (16)
C12	0.64542 (10)	0.23239 (5)	0.10666 (5)	0.03190 (18)
C13	0.51129 (8)	0.25717 (4)	0.09276 (4)	0.02233 (13)
H13	0.4584 (12)	0.2203 (6)	0.1078 (7)	0.022 (3)*
C14	0.48145 (9)	0.26547 (5)	0.01520 (4)	0.02813 (16)
C15	0.48497 (8)	0.64011 (4)	0.29406 (5)	0.02447 (14)
C16	0.41558 (7)	0.57232 (4)	0.28234 (4)	0.01904 (12)
H16	0.4087 (11)	0.5678 (6)	0.2321 (6)	0.021 (3)*
C17	0.28263 (8)	0.57470 (4)	0.30916 (5)	0.02403 (14)
C18	0.73865 (9)	0.46338 (5)	0.10836 (5)	0.02699 (15)
C19	0.60311 (8)	0.48311 (4)	0.12248 (4)	0.02093 (12)
H19	0.5527 (13)	0.4469 (7)	0.1023 (7)	0.030 (3)*
C20	0.56621 (8)	0.54919 (4)	0.08447 (4)	0.02334 (14)
C21	0.89578 (8)	0.51608 (5)	0.31614 (5)	0.02559 (15)
C22	0.77568 (7)	0.50234 (4)	0.35500 (4)	0.01897 (12)
H22	0.7350 (12)	0.5469 (7)	0.3583 (7)	0.025 (3)*
C23	0.80330 (8)	0.48113 (4)	0.43008 (4)	0.02438 (14)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Al1	0.01831 (9)	0.01458 (9)	0.01574 (9)	0.00019 (7)	−0.00074 (7)	−0.00034 (7)
Al2	0.01654 (9)	0.01461 (9)	0.01512 (9)	−0.00019 (7)	0.00018 (7)	0.00011 (7)
Mg1	0.02029 (11)	0.01498 (10)	0.01656 (11)	0.00142 (8)	0.00043 (9)	0.00067 (8)
F1	0.0274 (3)	0.0332 (3)	0.0347 (3)	0.0076 (2)	0.0061 (2)	−0.0026 (2)
F2	0.0327 (3)	0.0230 (3)	0.0664 (5)	−0.0001 (2)	0.0036 (3)	0.0121 (3)
F3	0.0431 (4)	0.0506 (4)	0.0329 (3)	0.0187 (3)	−0.0094 (3)	0.0102 (3)
F4	0.0331 (3)	0.0345 (3)	0.0642 (5)	−0.0082 (2)	0.0178 (3)	−0.0005 (3)
F5	0.0364 (3)	0.0228 (2)	0.0407 (3)	0.0001 (2)	−0.0032 (2)	−0.0059 (2)
F6	0.0488 (4)	0.0464 (4)	0.0577 (5)	0.0000 (3)	−0.0317 (4)	−0.0112 (3)
F7	0.0272 (3)	0.0464 (4)	0.0694 (5)	0.0010 (3)	−0.0019 (3)	−0.0088 (4)
F8	0.0619 (5)	0.0781 (6)	0.0311 (3)	0.0354 (5)	−0.0087 (3)	0.0025 (4)
F9	0.0512 (4)	0.0343 (3)	0.0523 (4)	0.0177 (3)	0.0092 (3)	−0.0090 (3)
F10	0.0406 (3)	0.0548 (4)	0.0280 (3)	0.0016 (3)	0.0094 (3)	0.0131 (3)
F11	0.0321 (3)	0.0574 (4)	0.0278 (3)	0.0024 (3)	−0.0062 (2)	−0.0015 (3)
F12	0.0884 (6)	0.0434 (4)	0.0309 (3)	0.0099 (4)	−0.0071 (4)	−0.0201 (3)
F13	0.0451 (3)	0.0271 (3)	0.0307 (3)	−0.0072 (2)	−0.0010 (2)	−0.0088 (2)
F14	0.0308 (3)	0.0285 (3)	0.0450 (3)	−0.0077 (2)	0.0078 (2)	−0.0005 (2)
F15	0.0503 (4)	0.0182 (2)	0.0465 (4)	0.0015 (2)	−0.0046 (3)	0.0093 (2)
F16	0.0319 (3)	0.0528 (4)	0.0313 (3)	−0.0010 (3)	0.0091 (2)	−0.0138 (3)
F17	0.0242 (2)	0.0264 (2)	0.0424 (3)	−0.00347 (19)	−0.0005 (2)	−0.0038 (2)
F18	0.0292 (3)	0.0297 (3)	0.0692 (5)	0.0119 (2)	−0.0024 (3)	0.0103 (3)
F19	0.0233 (2)	0.0422 (3)	0.0397 (3)	−0.0061 (2)	0.0044 (2)	−0.0007 (3)
F20	0.0380 (3)	0.0344 (3)	0.0378 (3)	0.0111 (2)	−0.0008 (3)	0.0007 (2)
F21	0.0451 (4)	0.0529 (4)	0.0293 (3)	0.0044 (3)	0.0098 (3)	−0.0140 (3)
F22	0.0386 (3)	0.0233 (2)	0.0297 (3)	−0.0088 (2)	−0.0080 (2)	0.00409 (19)
F23	0.0251 (3)	0.0375 (3)	0.0350 (3)	−0.0014 (2)	−0.0043 (2)	0.0082 (2)
F24	0.0394 (3)	0.0418 (3)	0.0183 (2)	−0.0107 (2)	0.0001 (2)	0.0072 (2)
F25	0.0263 (3)	0.0432 (3)	0.0460 (4)	0.0102 (2)	0.0106 (3)	−0.0001 (3)
F26	0.0377 (3)	0.0402 (3)	0.0276 (3)	−0.0050 (2)	0.0060 (2)	0.0064 (2)
F27	0.0316 (3)	0.0530 (4)	0.0457 (4)	−0.0215 (3)	0.0060 (3)	−0.0140 (3)
F28	0.0428 (3)	0.0315 (3)	0.0295 (3)	0.0118 (2)	−0.0062 (2)	0.0031 (2)
F29	0.0361 (3)	0.0365 (3)	0.0244 (2)	−0.0020 (2)	0.0077 (2)	−0.0015 (2)
F30	0.0378 (3)	0.0406 (3)	0.0265 (3)	−0.0049 (2)	−0.0085 (2)	−0.0095 (2)
O1	0.0240 (3)	0.0205 (2)	0.0244 (3)	0.00244 (19)	0.0033 (2)	−0.00119 (19)
O2	0.0286 (3)	0.0220 (2)	0.0170 (2)	0.0018 (2)	0.0000 (2)	−0.00050 (18)
O3	0.0308 (3)	0.0172 (2)	0.0256 (3)	0.0007 (2)	0.0030 (2)	0.00293 (19)
O4	0.0218 (2)	0.0196 (2)	0.0284 (3)	0.00416 (19)	−0.0010 (2)	−0.0006 (2)
O5	0.0246 (3)	0.0155 (2)	0.0205 (2)	−0.00338 (18)	−0.00220 (19)	0.00048 (17)
O6	0.0194 (2)	0.0147 (2)	0.0165 (2)	−0.00084 (16)	−0.00088 (17)	−0.00027 (15)
O7	0.0213 (2)	0.0201 (2)	0.0207 (2)	0.00311 (18)	−0.00353 (19)	−0.00046 (18)
O8	0.0271 (3)	0.0192 (2)	0.0192 (2)	0.00076 (19)	0.0030 (2)	−0.00330 (18)
O9	0.0221 (2)	0.0158 (2)	0.0182 (2)	0.00351 (17)	0.00021 (18)	0.00063 (16)
O10	0.0296 (3)	0.0233 (3)	0.0159 (2)	0.0006 (2)	0.0033 (2)	0.00277 (18)
O11	0.0188 (2)	0.0186 (2)	0.0217 (2)	0.00000 (17)	−0.00343 (18)	−0.00258 (18)
C1	0.0224 (4)	0.0315 (4)	0.0323 (4)	0.0038 (3)	0.0033 (3)	0.0013 (3)
C2	0.0323 (4)	0.0255 (4)	0.0314 (4)	0.0050 (3)	0.0057 (3)	−0.0073 (3)
C3	0.0364 (5)	0.0350 (4)	0.0210 (3)	0.0013 (3)	0.0057 (3)	−0.0065 (3)
C4	0.0396 (5)	0.0304 (4)	0.0233 (4)	0.0023 (3)	−0.0094 (3)	−0.0001 (3)
C5	0.0415 (5)	0.0237 (4)	0.0431 (5)	−0.0048 (3)	0.0132 (4)	0.0057 (4)
C6	0.0332 (4)	0.0168 (3)	0.0356 (4)	0.0042 (3)	−0.0025 (3)	−0.0003 (3)
C7	0.0295 (4)	0.0202 (3)	0.0346 (4)	0.0073 (3)	−0.0050 (3)	−0.0003 (3)
C8	0.0220 (4)	0.0286 (4)	0.0400 (5)	0.0028 (3)	0.0020 (3)	−0.0042 (3)
C9	0.0220 (3)	0.0260 (4)	0.0274 (4)	0.0044 (3)	−0.0003 (3)	0.0060 (3)
C10	0.0196 (3)	0.0227 (3)	0.0184 (3)	0.0023 (2)	−0.0001 (2)	0.0015 (2)
C11	0.0253 (4)	0.0268 (4)	0.0329 (4)	−0.0008 (3)	−0.0049 (3)	−0.0038 (3)
C12	0.0364 (5)	0.0312 (4)	0.0281 (4)	0.0113 (3)	−0.0002 (3)	−0.0035 (3)
C13	0.0287 (4)	0.0193 (3)	0.0191 (3)	0.0010 (2)	0.0021 (3)	−0.0019 (2)
C14	0.0338 (4)	0.0307 (4)	0.0199 (3)	0.0019 (3)	0.0010 (3)	−0.0048 (3)
C15	0.0294 (4)	0.0172 (3)	0.0267 (4)	−0.0003 (3)	−0.0001 (3)	0.0004 (2)
C16	0.0217 (3)	0.0159 (3)	0.0194 (3)	0.0017 (2)	−0.0008 (2)	−0.0003 (2)
C17	0.0230 (3)	0.0199 (3)	0.0290 (4)	0.0036 (2)	−0.0011 (3)	−0.0024 (3)
C18	0.0276 (4)	0.0304 (4)	0.0231 (3)	0.0008 (3)	0.0035 (3)	−0.0034 (3)
C19	0.0233 (3)	0.0223 (3)	0.0173 (3)	−0.0040 (2)	0.0014 (2)	0.0011 (2)
C20	0.0252 (3)	0.0260 (3)	0.0187 (3)	−0.0069 (3)	−0.0022 (3)	0.0039 (2)
C21	0.0210 (3)	0.0288 (4)	0.0270 (4)	−0.0030 (3)	0.0016 (3)	−0.0030 (3)
C22	0.0174 (3)	0.0193 (3)	0.0201 (3)	0.0004 (2)	−0.0006 (2)	−0.0022 (2)
C23	0.0268 (4)	0.0252 (3)	0.0210 (3)	0.0015 (3)	−0.0022 (3)	−0.0031 (3)

Geometric parameters (Å, º) top

Al1—Mg1	2.8074 (3)	O2—C4	1.4384 (11)
Al1—O5	1.7644 (6)	O3—C5	1.4370 (12)
Al1—O6	1.7456 (6)	O3—C6	1.4365 (11)
Al1—O7	1.7374 (6)	O4—C7	1.4367 (11)
Al1—O8	1.7425 (6)	O4—C8	1.4409 (11)
Al2—O6	1.7384 (6)	O5—H5	0.750 (18)
Al2—O9	1.7645 (6)	O7—C10	1.3713 (9)
Al2—O10	1.7307 (6)	O8—C13	1.3731 (9)
Al2—O11	1.7472 (6)	O9—C16	1.3731 (9)
Mg1—O1	2.1175 (7)	O10—C19	1.3644 (9)
Mg1—O2	2.1021 (6)	O11—C22	1.3731 (9)
Mg1—O3	2.1185 (6)	C1—H1A	0.993 (16)
Mg1—O4	2.0813 (6)	C1—H1C	0.953 (16)
Mg1—O5	2.0470 (6)	C1—H1B	0.960 (16)
Mg1—O6	2.0383 (6)	C2—H2A	0.979 (15)
F1—C9	1.3252 (11)	C2—H2B	0.970 (16)
F2—C9	1.3336 (11)	C2—C3	1.4998 (15)
F3—C9	1.3384 (11)	C3—H3B	0.940 (14)
F4—C11	1.3296 (12)	C3—H3A	0.978 (15)
F5—C11	1.3491 (11)	C4—H4B	0.954 (15)
F6—C11	1.3337 (11)	C4—H4C	0.955 (17)
F7—C12	1.3242 (14)	C4—H4A	0.977 (17)
F8—C12	1.3320 (12)	C5—H5C	0.953 (16)
F9—C12	1.3417 (12)	C5—H5A	0.985 (18)
F10—C14	1.3239 (12)	C5—H5B	0.934 (18)
F11—C14	1.3406 (12)	C6—H6A	0.965 (13)
F12—C14	1.3344 (11)	C6—H6B	0.973 (15)
F13—C15	1.3372 (11)	C6—C7	1.5023 (14)
F14—C15	1.3369 (11)	C7—H7A	0.977 (15)
F15—C15	1.3418 (10)	C7—H7B	0.997 (14)
F16—C17	1.3337 (11)	C8—H8A	0.997 (16)
F17—C17	1.3269 (10)	C8—H8C	0.940 (16)
F18—C17	1.3502 (10)	C8—H8B	0.940 (16)
F19—C18	1.3436 (11)	C9—C10	1.5289 (11)
F20—C18	1.3342 (11)	C10—H10	0.955 (13)
F21—C18	1.3401 (11)	C10—C11	1.5314 (12)
F22—C20	1.3341 (10)	C12—C13	1.5288 (13)
F23—C20	1.3342 (10)	C13—H13	0.966 (13)
F24—C20	1.3447 (10)	C13—C14	1.5309 (12)
F25—C21	1.3290 (11)	C15—C16	1.5313 (11)
F26—C21	1.3342 (11)	C16—H16	0.975 (12)
F27—C21	1.3418 (10)	C16—C17	1.5282 (12)
F28—C23	1.3347 (10)	C18—C19	1.5317 (12)
F29—C23	1.3430 (11)	C19—H19	0.964 (14)
F30—C23	1.3416 (10)	C19—C20	1.5308 (12)
O1—C1	1.4423 (11)	C21—C22	1.5308 (11)
O1—C2	1.4393 (11)	C22—H22	0.976 (13)
O2—C3	1.4362 (11)	C22—C23	1.5284 (11)

O5—Al1—Mg1	46.62 (2)	C6—C7—H7A	109.9 (9)
O6—Al1—Mg1	46.280 (19)	C6—C7—H7B	112.9 (8)
O6—Al1—O5	92.84 (3)	H7A—C7—H7B	108.6 (11)
O7—Al1—Mg1	121.25 (2)	O4—C8—H8A	110.3 (9)
O7—Al1—O5	115.19 (3)	O4—C8—H8C	108.7 (9)
O7—Al1—O6	109.19 (3)	O4—C8—H8B	109.4 (9)
O7—Al1—O8	108.90 (3)	H8A—C8—H8C	109.1 (13)
O8—Al1—Mg1	129.85 (2)	H8A—C8—H8B	106.3 (13)
O8—Al1—O5	112.28 (3)	H8C—C8—H8B	113.0 (13)
O8—Al1—O6	117.93 (3)	F1—C9—F2	106.94 (8)
O6—Al2—O9	114.57 (3)	F1—C9—F3	107.70 (7)
O6—Al2—O11	107.80 (3)	F1—C9—C10	113.08 (7)
O10—Al2—O6	111.99 (3)	F2—C9—F3	107.24 (8)
O10—Al2—O9	102.33 (3)	F2—C9—C10	110.02 (7)
O10—Al2—O11	115.11 (3)	F3—C9—C10	111.59 (8)
O11—Al2—O9	104.97 (3)	O7—C10—C9	108.99 (7)
O1—Mg1—Al1	95.31 (2)	O7—C10—H10	115.1 (8)
O1—Mg1—O3	91.48 (3)	O7—C10—C11	110.22 (7)
O2—Mg1—Al1	137.67 (2)	C9—C10—H10	106.8 (8)
O2—Mg1—O1	77.08 (3)	C9—C10—C11	111.41 (7)
O2—Mg1—O3	91.11 (3)	C11—C10—H10	104.2 (8)
O3—Mg1—Al1	131.01 (2)	F4—C11—F5	106.72 (8)
O4—Mg1—Al1	99.60 (2)	F4—C11—F6	107.79 (9)
O4—Mg1—O1	164.77 (3)	F4—C11—C10	113.43 (8)
O4—Mg1—O2	93.74 (3)	F5—C11—C10	108.94 (7)
O4—Mg1—O3	76.40 (3)	F6—C11—F5	106.86 (8)
O5—Mg1—Al1	38.791 (17)	F6—C11—C10	112.73 (8)
O5—Mg1—O1	91.83 (3)	F7—C12—F8	108.82 (10)
O5—Mg1—O2	168.38 (3)	F7—C12—F9	106.99 (9)
O5—Mg1—O3	92.66 (3)	F7—C12—C13	113.23 (8)
O5—Mg1—O4	97.83 (3)	F8—C12—F9	106.27 (9)
O6—Mg1—Al1	38.241 (16)	F8—C12—C13	108.92 (8)
O6—Mg1—O1	98.71 (3)	F9—C12—C13	112.33 (9)
O6—Mg1—O2	101.00 (2)	O8—C13—C12	110.17 (7)
O6—Mg1—O3	165.62 (3)	O8—C13—H13	115.0 (7)
O6—Mg1—O4	94.94 (3)	O8—C13—C14	108.92 (7)
O6—Mg1—O5	76.99 (2)	C12—C13—H13	105.4 (8)
C1—O1—Mg1	126.61 (5)	C12—C13—C14	111.77 (7)
C2—O1—Mg1	109.81 (5)	C14—C13—H13	105.6 (8)
C2—O1—C1	112.43 (7)	F10—C14—F11	106.54 (8)
C3—O2—Mg1	114.36 (6)	F10—C14—F12	107.70 (8)
C3—O2—C4	110.90 (7)	F10—C14—C13	112.93 (8)
C4—O2—Mg1	121.88 (5)	F11—C14—C13	110.17 (7)
C5—O3—Mg1	124.96 (6)	F12—C14—F11	106.74 (8)
C6—O3—Mg1	109.69 (5)	F12—C14—C13	112.41 (8)
C6—O3—C5	112.30 (7)	F13—C15—F15	107.31 (7)
C7—O4—Mg1	116.74 (5)	F13—C15—C16	113.31 (7)
C7—O4—C8	111.98 (7)	F14—C15—F13	106.81 (8)
C8—O4—Mg1	129.09 (5)	F14—C15—F15	107.11 (7)
Al1—O5—Mg1	94.59 (3)	F14—C15—C16	109.92 (7)
Al1—O5—H5	122.8 (13)	F15—C15—C16	112.06 (7)
Mg1—O5—H5	141.3 (13)	O9—C16—C15	110.00 (6)
Al1—O6—Mg1	95.48 (3)	O9—C16—H16	114.3 (7)
Al2—O6—Al1	128.72 (3)	O9—C16—C17	108.89 (6)
Al2—O6—Mg1	135.07 (3)	C15—C16—H16	104.3 (7)
C10—O7—Al1	131.50 (5)	C17—C16—C15	112.01 (6)
C13—O8—Al1	131.68 (5)	C17—C16—H16	107.4 (7)
C16—O9—Al2	124.61 (5)	F16—C17—F18	107.16 (7)
C19—O10—Al2	147.43 (6)	F16—C17—C16	113.48 (7)
C22—O11—Al2	128.68 (5)	F17—C17—F16	107.00 (8)
O1—C1—H1A	110.0 (9)	F17—C17—F18	106.62 (7)
O1—C1—H1C	106.8 (10)	F17—C17—C16	110.10 (7)
O1—C1—H1B	107.1 (9)	F18—C17—C16	112.11 (7)
H1A—C1—H1C	111.6 (13)	F19—C18—C19	112.73 (7)
H1A—C1—H1B	112.5 (13)	F20—C18—F19	107.59 (8)
H1C—C1—H1B	108.6 (13)	F20—C18—F21	107.68 (8)
O1—C2—H2A	109.4 (9)	F20—C18—C19	110.33 (7)
O1—C2—H2B	108.4 (9)	F21—C18—F19	107.10 (8)
O1—C2—C3	106.19 (7)	F21—C18—C19	111.19 (8)
H2A—C2—H2B	109.6 (13)	O10—C19—C18	112.11 (7)
C3—C2—H2A	112.6 (9)	O10—C19—H19	114.2 (8)
C3—C2—H2B	110.6 (9)	O10—C19—C20	107.27 (7)
O2—C3—C2	107.02 (7)	C18—C19—H19	105.3 (8)
O2—C3—H3B	110.7 (9)	C20—C19—C18	110.97 (7)
O2—C3—H3A	108.2 (9)	C20—C19—H19	107.0 (8)
C2—C3—H3B	111.4 (9)	F22—C20—F23	106.59 (8)
C2—C3—H3A	110.2 (9)	F22—C20—F24	107.31 (7)
H3B—C3—H3A	109.3 (12)	F22—C20—C19	112.61 (7)
O2—C4—H4B	110.5 (9)	F23—C20—F24	107.19 (7)
O2—C4—H4C	107.9 (10)	F23—C20—C19	110.13 (7)
O2—C4—H4A	107.8 (10)	F24—C20—C19	112.68 (7)
H4B—C4—H4C	109.1 (13)	F25—C21—F26	107.54 (8)
H4B—C4—H4A	111.8 (13)	F25—C21—F27	107.66 (8)
H4C—C4—H4A	109.7 (14)	F25—C21—C22	112.32 (7)
O3—C5—H5C	108.5 (9)	F26—C21—F27	106.68 (8)
O3—C5—H5A	109.6 (10)	F26—C21—C22	109.65 (7)
O3—C5—H5B	110.8 (11)	F27—C21—C22	112.72 (7)
H5C—C5—H5A	108.0 (13)	O11—C22—C21	109.68 (6)
H5C—C5—H5B	107.4 (14)	O11—C22—H22	116.7 (8)
H5A—C5—H5B	112.4 (15)	O11—C22—C23	108.94 (6)
O3—C6—H6A	108.8 (8)	C21—C22—H22	104.9 (8)
O3—C6—H6B	110.4 (9)	C23—C22—C21	111.90 (7)
O3—C6—C7	107.01 (7)	C23—C22—H22	104.7 (8)
H6A—C6—H6B	109.7 (12)	F28—C23—F29	107.37 (8)
C7—C6—H6A	109.8 (8)	F28—C23—F30	107.43 (7)
C7—C6—H6B	111.1 (9)	F28—C23—C22	112.86 (7)
O4—C7—C6	107.91 (7)	F29—C23—C22	109.54 (7)
O4—C7—H7A	109.1 (9)	F30—C23—F29	106.55 (7)
O4—C7—H7B	108.5 (8)	F30—C23—C22	112.76 (7)

Al1—O7—C10—C9	−164.38 (6)	O6—Al2—O10—C19	−31.10 (12)
Al1—O7—C10—C11	73.05 (9)	O6—Al2—O11—C22	−160.88 (6)
Al1—O8—C13—C12	−104.13 (8)	O7—Al1—O5—Mg1	−110.14 (3)
Al1—O8—C13—C14	132.95 (7)	O7—Al1—O6—Al2	−56.01 (5)
Al2—O9—C16—C15	−105.20 (7)	O7—Al1—O6—Mg1	115.29 (3)
Al2—O9—C16—C17	131.71 (6)	O7—Al1—O8—C13	−116.23 (7)
Al2—O10—C19—C18	−73.76 (12)	O7—C10—C11—F4	61.25 (10)
Al2—O10—C19—C20	164.18 (8)	O7—C10—C11—F5	−57.46 (9)
Al2—O11—C22—C21	−107.26 (7)	O7—C10—C11—F6	−175.90 (8)
Al2—O11—C22—C23	129.95 (6)	O8—Al1—O5—Mg1	124.45 (3)
Mg1—Al1—O6—Al2	−171.30 (6)	O8—Al1—O6—Al2	68.93 (5)
Mg1—Al1—O7—C10	−148.45 (6)	O8—Al1—O6—Mg1	−119.77 (3)
Mg1—Al1—O8—C13	63.88 (8)	O8—Al1—O7—C10	31.66 (8)
Mg1—O1—C2—C3	−49.83 (8)	O8—C13—C14—F10	62.80 (10)
Mg1—O2—C3—C2	−32.68 (9)	O8—C13—C14—F11	−56.19 (10)
Mg1—O3—C6—C7	50.27 (8)	O8—C13—C14—F12	−175.09 (8)
Mg1—O4—C7—C6	21.82 (9)	O9—Al2—O6—Al1	97.72 (4)
F1—C9—C10—O7	−62.37 (9)	O9—Al2—O6—Mg1	−69.97 (5)
F1—C9—C10—C11	59.47 (10)	O9—Al2—O10—C19	−154.29 (10)
F2—C9—C10—O7	57.12 (9)	O9—Al2—O11—C22	−38.33 (7)
F2—C9—C10—C11	178.96 (8)	O9—C16—C17—F16	57.58 (9)
F3—C9—C10—O7	176.03 (7)	O9—C16—C17—F17	−62.31 (9)
F3—C9—C10—C11	−62.13 (10)	O9—C16—C17—F18	179.17 (7)
F7—C12—C13—O8	−53.87 (10)	O10—Al2—O6—Al1	−18.24 (5)
F7—C12—C13—C14	67.37 (10)	O10—Al2—O6—Mg1	174.06 (4)
F8—C12—C13—O8	67.34 (11)	O10—Al2—O9—C16	14.74 (7)
F8—C12—C13—C14	−171.42 (9)	O10—Al2—O11—C22	73.34 (7)
F9—C12—C13—O8	−175.20 (8)	O10—C19—C20—F22	48.57 (9)
F9—C12—C13—C14	−53.97 (11)	O10—C19—C20—F23	−70.24 (8)
F13—C15—C16—O9	−63.10 (9)	O10—C19—C20—F24	170.13 (7)
F13—C15—C16—C17	58.14 (9)	O11—Al2—O6—Al1	−145.85 (4)
F14—C15—C16—O9	56.31 (9)	O11—Al2—O6—Mg1	46.46 (5)
F14—C15—C16—C17	177.55 (7)	O11—Al2—O9—C16	135.28 (6)
F15—C15—C16—O9	175.29 (7)	O11—Al2—O10—C19	92.49 (11)
F15—C15—C16—C17	−63.47 (9)	O11—C22—C23—F28	55.14 (9)
F19—C18—C19—O10	−75.70 (9)	O11—C22—C23—F29	−64.43 (8)
F19—C18—C19—C20	44.23 (10)	O11—C22—C23—F30	177.10 (7)
F20—C18—C19—O10	44.60 (10)	C1—O1—C2—C3	163.61 (8)
F20—C18—C19—C20	164.53 (7)	C4—O2—C3—C2	−175.18 (8)
F21—C18—C19—O10	164.01 (7)	C5—O3—C6—C7	−166.16 (8)
F21—C18—C19—C20	−76.06 (9)	C8—O4—C7—C6	−173.46 (8)
F25—C21—C22—O11	−56.24 (9)	C9—C10—C11—F4	−59.88 (10)
F25—C21—C22—C23	64.78 (9)	C9—C10—C11—F5	−178.59 (7)
F26—C21—C22—O11	63.25 (9)	C9—C10—C11—F6	62.97 (10)
F26—C21—C22—C23	−175.73 (7)	C12—C13—C14—F10	−59.15 (10)
F27—C21—C22—O11	−178.07 (7)	C12—C13—C14—F11	−178.15 (8)
F27—C21—C22—C23	−57.05 (10)	C12—C13—C14—F12	62.95 (11)
O1—C2—C3—O2	53.21 (10)	C15—C16—C17—F16	−64.29 (9)
O3—C6—C7—O4	−46.18 (10)	C15—C16—C17—F17	175.82 (7)
O5—Al1—O6—Al2	−173.95 (4)	C15—C16—C17—F18	57.30 (9)
O5—Al1—O6—Mg1	−2.65 (3)	C18—C19—C20—F22	−74.20 (9)
O5—Al1—O7—C10	−95.49 (7)	C18—C19—C20—F23	166.98 (7)
O5—Al1—O8—C13	12.55 (8)	C18—C19—C20—F24	47.35 (9)
O6—Al1—O5—Mg1	2.63 (3)	C21—C22—C23—F28	−66.31 (9)
O6—Al1—O7—C10	161.70 (7)	C21—C22—C23—F29	174.12 (7)
O6—Al1—O8—C13	118.68 (7)	C21—C22—C23—F30	55.65 (9)
O6—Al2—O9—C16	−106.68 (6)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5···F18ⁱ	0.750 (18)	2.315 (18)	2.9816 (8)	148.7 (17)
C2—H2B···F30ⁱⁱ	0.970 (16)	2.527 (16)	3.4204 (11)	153.1 (12)
C4—H4A···F6ⁱⁱⁱ	0.977 (17)	2.539 (17)	3.5007 (13)	168.1 (13)
C7—H7B···F22^iv	0.997 (14)	2.500 (14)	3.0101 (10)	111.3 (10)
C8—H8C···O11	0.940 (16)	2.515 (16)	3.3831 (11)	153.7 (13)
C19—H19···O8	0.964 (14)	2.625 (14)	3.4214 (10)	140.2 (11)

Symmetry codes: (i) −x+1/2, y−1/2, −z+1/2; (ii) −x+1, −y+1, −z+1; (iii) x+1/2, −y+1/2, z+1/2; (iv) −x+3/2, y−1/2, −z+1/2.

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		CIF
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Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

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Bis­(di­meth­oxy­ethane-1κ2O,O′)penta­kis­(1,1,1,3,3,3-hexa­fluoro­propan-2-olato)-2κ3O,3κ2O-μ-hy­droxido-1:3κ2O-μ3-oxido-1:2:3κ3O-magnesiumdialuminium

Supporting information

Key indicators

checkCIF/PLATON results

Bis(dimethoxyethane-1κ²O,O′)pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ³O,3κ²O-μ-hydroxido-1:3κ²O-μ₃-oxido-1:2:3κ³O-magnesiumdialuminium