Structural diversity of polynuclear Mg_xO_y cores in magnesium phenoxide complexes

The binuclear complex bis(2,6-di-tert-butyl-4-methylphenolato)-1κO,2κO-(1,2-dimethoxyethane-1κ²O,O′)bis(μ-phenylmethanolato-1:2κ²O:O)(tetrahydrofuran-2κO)dimagnesium(II), [Mg₂(C₇H₇O)₂(C₁₅H₂₃O)₂(C₄H₈O)(C₄H₁₀O₂)] or [(BHT)(DME)Mg(μ-OBn)₂Mg(THF)(BHT)], (I), was obtained from the complex [(BHT)Mg(μ-OBn)(THF)]₂ by substitution of one tetrahydrofuran (THF) molecule with 1,2-di­meth­oxy­ethane (DME) in toluene (BHT is O-2,6-^tBu₂-4-MeC₆H₄ and Bn is benzyl). The trinuclear complex bis(2,6-di-tert-butyl-4-methylphenolato)-1κO,3κO-tetrakis(μ-2-methylphenolato)-1:2κ⁴O:O;2:3κ⁴O:O-bis(tetrahydrofuran)-1κO,3κO-trimagnesium(II), [Mg₃(C₇H₇O)₄(C₁₅H₂₃O)₂(C₄H₈O)₂] or [(BHT)₂(μ-O-2-MeC₆H₄)₄(THF)₂Mg₃], (II), was formed from a mixture of Bu₂Mg, [(BHT)Mg(ⁿBu)(THF)₂] and 2-methyl­phenol. An unusual tetranuclear complex, bis(μ₃-2-aminoethanolato-κ⁴O:O:O,N)tetrakis(μ₂-2-aminoethanolato-κ³O:O,N)bis(2,6-di-tert-butyl-4-methylphenolato-κO)tetramagnesium(II), [Mg₄(C₂H₆NO)₆(C₁₅H₂₃O)₂] or Mg₄(BHT)₂(OCH₂CH₂NH₂)₆, (III), resulted from the reaction between (BHT)₂Mg(THF)₂ and 2-amino­ethanol. A polymerization test demonstrated the ability of (III) to catalyse the ring-opening polymerization of [epsilon]-caprolactone without activation by alcohol. In all three complexes (I)–(III), the BHT ligand demonstrates the terminal κO-coordination mode. Complexes (I), (II) and (III) have binuclear rhomboid Mg₂O₂, trinuclear chain-like Mg₃O₄ and bicubic Mg₄O₆ cores, respectively. A survey of the literature on known polynuclear Mg_xO_y core types for ArO–Mg complexes is also presented.

Computing details

For all structures, data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS (Sheldrick, 2015); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2015); software used to prepare material for publication: SHELXTL (Sheldrick, 2015).

Bis(2,6-di-tert-butyl-4-methylphenolato)-1κO,2κO-(1,2-dimethoxyethane-1κ²O,O')bis(µ-phenylmethanolato-1:2κ²O:O)(tetrahydrofuran-2κO)dimagnesium(II) (I)

Crystal data

[Mg2(C15H23O)2(C4H8O)(C4H10O2)(C7H7O)2]	Z = 2
Mr = 863.76	F(000) = 940
Triclinic, P1	Dx = 1.135 Mg m^−3
a = 12.0140 (8) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.8692 (9) Å	Cell parameters from 7223 reflections
c = 15.7804 (10) Å	θ = 2.3–30.3°
α = 84.797 (1)°	µ = 0.10 mm^−1
β = 89.778 (1)°	T = 150 K
γ = 74.914 (1)°	Prism, colourless
V = 2527.8 (3) Å^3	0.25 × 0.20 × 0.10 mm

Data collection

Bruker SMART APEXII area-detector diffractometer	11046 independent reflections
Radiation source: fine-focus sealed tube	8354 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
ω scans	θmax = 27.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	h = −15→15
Tmin = 0.686, Tmax = 0.746	k = −17→17
24979 measured reflections	l = −20→20

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.115	H-atom parameters constrained
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0531P)^2 + 0.7438P] where P = (Fo^2 + 2Fc^2)/3
11046 reflections	(Δ/σ)max = 0.001
577 parameters	Δρmax = 0.77 e Å^−3
21 restraints	Δρmin = −0.35 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Mg1	0.30667 (4)	0.33224 (4)	0.81357 (3)	0.01926 (12)
Mg2	0.48958 (4)	0.17627 (4)	0.74295 (3)	0.01955 (12)
O11	0.47797 (8)	0.29575 (7)	0.80104 (7)	0.0212 (2)
O12	0.24807 (9)	0.47046 (7)	0.78730 (7)	0.0229 (2)
O13	0.32641 (11)	0.26329 (10)	0.94189 (8)	0.0397 (3)
O14	0.13440 (10)	0.31794 (9)	0.85634 (8)	0.0380 (3)
O21	0.32108 (9)	0.22313 (8)	0.73625 (7)	0.0223 (2)
O22	0.57113 (9)	0.05035 (8)	0.79153 (7)	0.0254 (2)
O23	0.57265 (10)	0.18611 (8)	0.63121 (7)	0.0279 (3)
C1A	0.416 (2)	0.262 (2)	1.002 (2)	0.078 (4)	0.492 (4)
H1AA	0.4224	0.2060	1.0458	0.117*	0.492 (4)
H1AB	0.3976	0.3252	1.0288	0.117*	0.492 (4)
H1AC	0.4894	0.2541	0.9726	0.117*	0.492 (4)
C2A	0.2561 (4)	0.1969 (3)	0.9575 (3)	0.0465 (8)	0.492 (4)
H2AA	0.2646	0.1675	1.0174	0.056*	0.492 (4)
H2AB	0.2761	0.1420	0.9197	0.056*	0.492 (4)
C3A	0.1352 (7)	0.2611 (4)	0.9388 (4)	0.0469 (12)	0.492 (4)
H3AA	0.0810	0.2184	0.9375	0.056*	0.492 (4)
H3AB	0.1109	0.3074	0.9836	0.056*	0.492 (4)
C1B	0.4292 (19)	0.231 (2)	0.9940 (19)	0.078 (4)	0.508 (4)
H1BA	0.4090	0.2361	1.0540	0.117*	0.508 (4)
H1BB	0.4810	0.2733	0.9781	0.117*	0.508 (4)
H1BC	0.4678	0.1609	0.9857	0.117*	0.508 (4)
C2B	0.2230 (4)	0.2440 (4)	0.9806 (3)	0.0465 (8)	0.508 (4)
H2BA	0.1829	0.3015	1.0118	0.056*	0.508 (4)
H2BB	0.2442	0.1834	1.0215	0.056*	0.508 (4)
C3B	0.1464 (7)	0.2292 (4)	0.9128 (4)	0.0469 (12)	0.508 (4)
H3BA	0.1820	0.1683	0.8842	0.056*	0.508 (4)
H3BB	0.0710	0.2242	0.9355	0.056*	0.508 (4)
C4	0.02521 (16)	0.38745 (18)	0.84751 (15)	0.0524 (6)
H4A	−0.0307	0.3553	0.8252	0.079*
H4B	0.0300	0.4449	0.8081	0.079*
H4C	0.0004	0.4104	0.9031	0.079*
C5	0.63711 (16)	0.09778 (13)	0.59113 (11)	0.0357 (4)
H5A	0.5840	0.0668	0.5623	0.043*
H5B	0.6842	0.0473	0.6340	0.043*
C6	0.71272 (18)	0.13603 (15)	0.52783 (13)	0.0452 (5)
H6A	0.7305	0.0936	0.4798	0.054*
H6B	0.7856	0.1396	0.5548	0.054*
C7	0.6373 (2)	0.23975 (16)	0.49908 (14)	0.0527 (6)
H7A	0.6839	0.2838	0.4737	0.063*
H7B	0.5778	0.2363	0.4570	0.063*
C8	0.58351 (17)	0.27633 (13)	0.58007 (11)	0.0361 (4)
H8A	0.6332	0.3100	0.6097	0.043*
H8B	0.5070	0.3241	0.5684	0.043*
C11	0.56610 (13)	0.33391 (11)	0.83315 (10)	0.0230 (3)
H11A	0.6319	0.2770	0.8533	0.028*
H11B	0.5367	0.3711	0.8828	0.028*
C12	0.60847 (13)	0.40253 (11)	0.76860 (10)	0.0232 (3)
C13	0.72535 (14)	0.38700 (13)	0.75339 (11)	0.0317 (4)
H13	0.7790	0.3324	0.7839	0.038*
C14	0.76503 (17)	0.45007 (16)	0.69425 (13)	0.0430 (5)
H14	0.8453	0.4389	0.6847	0.052*
C15	0.68762 (19)	0.52885 (15)	0.64953 (12)	0.0424 (5)
H15	0.7143	0.5721	0.6088	0.051*
C16	0.57093 (18)	0.54494 (13)	0.66399 (12)	0.0382 (4)
H16	0.5175	0.5990	0.6327	0.046*
C17	0.53131 (15)	0.48295 (12)	0.72360 (11)	0.0299 (4)
H17	0.4511	0.4954	0.7338	0.036*
C21	0.23109 (13)	0.18448 (12)	0.70937 (11)	0.0272 (3)
H21A	0.1574	0.2269	0.7285	0.033*
H21B	0.2415	0.1164	0.7386	0.033*
C22	0.22066 (14)	0.17799 (11)	0.61466 (11)	0.0275 (4)
C23	0.13194 (17)	0.14055 (14)	0.58554 (13)	0.0405 (5)
H23	0.0806	0.1203	0.6250	0.049*
C24	0.1183 (2)	0.13274 (16)	0.49953 (15)	0.0535 (6)
H24	0.0579	0.1069	0.4806	0.064*
C25	0.1916 (2)	0.16200 (15)	0.44109 (14)	0.0504 (6)
H25	0.1816	0.1569	0.3821	0.060*
C26	0.27912 (19)	0.19855 (15)	0.46921 (12)	0.0443 (5)
H26	0.3303	0.2186	0.4295	0.053*
C27	0.29355 (16)	0.20653 (13)	0.55586 (11)	0.0343 (4)
H27	0.3545	0.2320	0.5744	0.041*
C31	0.20722 (12)	0.56795 (11)	0.76420 (9)	0.0186 (3)
C32	0.16998 (12)	0.60303 (11)	0.67849 (10)	0.0207 (3)
C33	0.13168 (13)	0.70614 (11)	0.65657 (10)	0.0232 (3)
H33	0.1069	0.7291	0.5995	0.028*
C34	0.12798 (13)	0.77657 (11)	0.71401 (10)	0.0243 (3)
C35	0.16135 (12)	0.74153 (11)	0.79748 (10)	0.0223 (3)
H35	0.1576	0.7890	0.8379	0.027*
C36	0.20022 (12)	0.63967 (11)	0.82494 (9)	0.0202 (3)
C37	0.17028 (14)	0.53053 (12)	0.60971 (10)	0.0254 (3)
C38	0.23554 (14)	0.60749 (12)	0.91909 (10)	0.0257 (3)
C39	0.08777 (16)	0.88762 (12)	0.68625 (12)	0.0342 (4)
H39A	0.1214	0.9248	0.7245	0.051*
H39B	0.0035	0.9096	0.6883	0.051*
H39C	0.1124	0.9004	0.6280	0.051*
C41	0.64007 (13)	−0.04237 (11)	0.79701 (9)	0.0201 (3)
C42	0.75789 (13)	−0.06190 (11)	0.82397 (9)	0.0211 (3)
C43	0.83005 (13)	−0.15813 (11)	0.82041 (10)	0.0233 (3)
H43	0.9092	−0.1700	0.8357	0.028*
C44	0.79116 (13)	−0.23722 (11)	0.79554 (10)	0.0254 (3)
C45	0.67457 (13)	−0.21913 (11)	0.77628 (10)	0.0238 (3)
H45	0.6460	−0.2735	0.7621	0.029*
C46	0.59726 (13)	−0.12464 (11)	0.77681 (9)	0.0213 (3)
C47	0.80525 (14)	0.02047 (12)	0.85791 (10)	0.0270 (4)
C48	0.46851 (13)	−0.11106 (12)	0.75576 (11)	0.0267 (3)
C49	0.87268 (15)	−0.34024 (13)	0.79152 (14)	0.0397 (5)
H49A	0.8435	−0.3899	0.8267	0.060*
H49B	0.9492	−0.3402	0.8128	0.060*
H49C	0.8781	−0.3573	0.7325	0.060*
C51	0.11741 (16)	0.58581 (14)	0.52444 (11)	0.0360 (4)
H51A	0.0387	0.6256	0.5333	0.054*
H51B	0.1158	0.5368	0.4838	0.054*
H51C	0.1641	0.6303	0.5019	0.054*
C52	0.09824 (15)	0.45699 (13)	0.63674 (11)	0.0333 (4)
H52A	0.0191	0.4946	0.6474	0.050*
H52B	0.1320	0.4160	0.6888	0.050*
H52C	0.0976	0.4134	0.5913	0.050*
C53	0.29439 (15)	0.47156 (13)	0.59257 (11)	0.0314 (4)
H53A	0.3392	0.5184	0.5720	0.047*
H53B	0.2931	0.4252	0.5495	0.047*
H53C	0.3299	0.4335	0.6454	0.047*
C54	0.36473 (15)	0.55315 (15)	0.92697 (12)	0.0375 (4)
H54A	0.4101	0.5989	0.9049	0.056*
H54B	0.3807	0.4945	0.8941	0.056*
H54C	0.3857	0.5314	0.9869	0.056*
C55	0.21535 (17)	0.69691 (14)	0.97302 (11)	0.0388 (4)
H55A	0.2628	0.7414	0.9519	0.058*
H55B	0.2366	0.6725	1.0325	0.058*
H55C	0.1338	0.7339	0.9691	0.058*
C56	0.16452 (16)	0.53798 (13)	0.95865 (11)	0.0354 (4)
H56A	0.1879	0.5183	1.0185	0.053*
H56B	0.1779	0.4780	0.9277	0.053*
H56C	0.0824	0.5733	0.9550	0.053*
C61	0.81138 (15)	0.10145 (12)	0.78603 (12)	0.0331 (4)
H61A	0.7335	0.1345	0.7637	0.050*
H61B	0.8590	0.0703	0.7403	0.050*
H61C	0.8456	0.1512	0.8083	0.050*
C62	0.92916 (16)	−0.02116 (14)	0.89518 (13)	0.0391 (4)
H62A	0.9814	−0.0477	0.8500	0.059*
H62B	0.9303	−0.0750	0.9402	0.059*
H62C	0.9543	0.0328	0.9189	0.059*
C63	0.73034 (17)	0.06705 (14)	0.93056 (11)	0.0385 (4)
H63A	0.6503	0.0934	0.9102	0.058*
H63B	0.7589	0.1217	0.9496	0.058*
H63C	0.7341	0.0157	0.9782	0.058*
C64	0.44137 (15)	−0.21164 (14)	0.74404 (14)	0.0420 (5)
H64A	0.4852	−0.2421	0.6964	0.063*
H64B	0.3587	−0.2000	0.7321	0.063*
H64C	0.4629	−0.2569	0.7962	0.063*
C65	0.39247 (14)	−0.06453 (14)	0.82795 (12)	0.0358 (4)
H65A	0.3111	−0.0545	0.8124	0.054*
H65B	0.4068	0.0002	0.8370	0.054*
H65C	0.4111	−0.1096	0.8804	0.054*
C66	0.43388 (14)	−0.04556 (12)	0.67108 (11)	0.0297 (4)
H66A	0.4815	−0.0770	0.6254	0.045*
H66B	0.4456	0.0211	0.6760	0.045*
H66C	0.3525	−0.0391	0.6579	0.045*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mg1	0.0178 (2)	0.0185 (2)	0.0197 (3)	−0.00176 (19)	0.00148 (19)	−0.00124 (19)
Mg2	0.0177 (2)	0.0179 (2)	0.0212 (3)	−0.00123 (19)	0.00146 (19)	−0.00251 (19)
O11	0.0171 (5)	0.0192 (5)	0.0273 (6)	−0.0038 (4)	−0.0002 (4)	−0.0043 (4)
O12	0.0242 (6)	0.0179 (5)	0.0233 (6)	0.0003 (4)	0.0001 (4)	−0.0018 (4)
O13	0.0354 (7)	0.0508 (8)	0.0263 (7)	−0.0046 (6)	0.0025 (5)	0.0125 (6)
O14	0.0269 (6)	0.0372 (7)	0.0479 (8)	−0.0070 (5)	0.0114 (5)	0.0017 (6)
O21	0.0178 (5)	0.0222 (5)	0.0268 (6)	−0.0038 (4)	−0.0015 (4)	−0.0048 (4)
O22	0.0239 (6)	0.0182 (5)	0.0298 (6)	0.0019 (4)	0.0014 (4)	−0.0010 (4)
O23	0.0310 (6)	0.0244 (6)	0.0251 (6)	−0.0019 (5)	0.0086 (5)	−0.0019 (4)
C1A	0.053 (5)	0.136 (14)	0.033 (5)	−0.017 (6)	−0.013 (5)	0.036 (7)
C2A	0.065 (2)	0.034 (2)	0.036 (2)	−0.0099 (19)	0.0188 (15)	0.0075 (15)
C3A	0.046 (2)	0.032 (3)	0.064 (3)	−0.017 (3)	0.014 (2)	0.0057 (19)
C1B	0.053 (5)	0.136 (14)	0.033 (5)	−0.017 (6)	−0.013 (5)	0.036 (7)
C2B	0.065 (2)	0.034 (2)	0.036 (2)	−0.0099 (19)	0.0188 (15)	0.0075 (15)
C3B	0.046 (2)	0.032 (3)	0.064 (3)	−0.017 (3)	0.014 (2)	0.0057 (19)
C4	0.0230 (10)	0.0719 (15)	0.0562 (14)	−0.0022 (10)	0.0083 (9)	−0.0037 (11)
C5	0.0429 (10)	0.0293 (9)	0.0307 (9)	−0.0009 (8)	0.0124 (8)	−0.0060 (7)
C6	0.0433 (11)	0.0483 (12)	0.0422 (11)	−0.0071 (9)	0.0180 (9)	−0.0105 (9)
C7	0.0618 (14)	0.0510 (13)	0.0458 (13)	−0.0181 (11)	0.0148 (10)	0.0018 (10)
C8	0.0434 (11)	0.0304 (9)	0.0336 (10)	−0.0098 (8)	0.0063 (8)	0.0022 (7)
C11	0.0187 (7)	0.0240 (8)	0.0258 (8)	−0.0041 (6)	−0.0022 (6)	−0.0037 (6)
C12	0.0258 (8)	0.0211 (8)	0.0247 (8)	−0.0080 (6)	0.0002 (6)	−0.0077 (6)
C13	0.0248 (9)	0.0346 (9)	0.0368 (10)	−0.0102 (7)	−0.0015 (7)	−0.0016 (7)
C14	0.0376 (11)	0.0546 (13)	0.0440 (11)	−0.0257 (9)	0.0044 (9)	−0.0023 (9)
C15	0.0641 (14)	0.0414 (11)	0.0310 (10)	−0.0309 (10)	0.0060 (9)	−0.0026 (8)
C16	0.0567 (12)	0.0254 (9)	0.0317 (10)	−0.0097 (8)	−0.0042 (9)	−0.0011 (7)
C17	0.0309 (9)	0.0260 (8)	0.0308 (9)	−0.0032 (7)	−0.0009 (7)	−0.0052 (7)
C21	0.0213 (8)	0.0258 (8)	0.0349 (9)	−0.0059 (6)	−0.0020 (7)	−0.0051 (7)
C22	0.0270 (8)	0.0179 (7)	0.0335 (9)	0.0016 (6)	−0.0101 (7)	−0.0027 (6)
C23	0.0413 (11)	0.0340 (10)	0.0464 (12)	−0.0115 (8)	−0.0164 (9)	0.0002 (8)
C24	0.0643 (15)	0.0430 (12)	0.0552 (14)	−0.0171 (11)	−0.0334 (12)	−0.0033 (10)
C25	0.0716 (15)	0.0388 (11)	0.0359 (11)	−0.0055 (10)	−0.0227 (11)	−0.0038 (9)
C26	0.0549 (13)	0.0386 (11)	0.0338 (11)	−0.0025 (9)	−0.0055 (9)	−0.0020 (8)
C27	0.0354 (10)	0.0322 (9)	0.0333 (10)	−0.0048 (8)	−0.0064 (8)	−0.0038 (7)
C31	0.0124 (7)	0.0188 (7)	0.0235 (8)	−0.0023 (5)	0.0013 (5)	−0.0020 (6)
C32	0.0152 (7)	0.0237 (8)	0.0227 (8)	−0.0036 (6)	0.0006 (6)	−0.0033 (6)
C33	0.0210 (8)	0.0247 (8)	0.0221 (8)	−0.0040 (6)	−0.0023 (6)	0.0023 (6)
C34	0.0196 (7)	0.0202 (8)	0.0317 (9)	−0.0039 (6)	0.0016 (6)	0.0006 (6)
C35	0.0178 (7)	0.0217 (8)	0.0280 (8)	−0.0049 (6)	−0.0005 (6)	−0.0060 (6)
C36	0.0131 (7)	0.0223 (7)	0.0238 (8)	−0.0020 (6)	0.0001 (6)	−0.0031 (6)
C37	0.0255 (8)	0.0268 (8)	0.0220 (8)	−0.0025 (6)	−0.0032 (6)	−0.0045 (6)
C38	0.0257 (8)	0.0260 (8)	0.0222 (8)	0.0002 (6)	−0.0033 (6)	−0.0063 (6)
C39	0.0412 (10)	0.0234 (9)	0.0351 (10)	−0.0046 (7)	−0.0019 (8)	0.0010 (7)
C41	0.0214 (7)	0.0183 (7)	0.0175 (7)	−0.0005 (6)	0.0036 (6)	0.0004 (6)
C42	0.0241 (8)	0.0200 (7)	0.0182 (7)	−0.0042 (6)	0.0011 (6)	−0.0012 (6)
C43	0.0190 (7)	0.0215 (8)	0.0273 (8)	−0.0019 (6)	−0.0020 (6)	−0.0004 (6)
C44	0.0216 (8)	0.0197 (8)	0.0323 (9)	−0.0009 (6)	0.0014 (6)	−0.0023 (6)
C45	0.0230 (8)	0.0201 (8)	0.0286 (8)	−0.0062 (6)	0.0013 (6)	−0.0023 (6)
C46	0.0184 (7)	0.0214 (8)	0.0223 (8)	−0.0029 (6)	0.0010 (6)	0.0010 (6)
C47	0.0286 (9)	0.0223 (8)	0.0293 (9)	−0.0046 (7)	−0.0061 (7)	−0.0035 (6)
C48	0.0187 (8)	0.0241 (8)	0.0355 (9)	−0.0037 (6)	−0.0006 (6)	0.0002 (7)
C49	0.0244 (9)	0.0227 (9)	0.0697 (14)	0.0006 (7)	−0.0036 (9)	−0.0116 (8)
C51	0.0402 (10)	0.0388 (10)	0.0255 (9)	−0.0031 (8)	−0.0094 (7)	−0.0051 (7)
C52	0.0326 (9)	0.0331 (9)	0.0363 (10)	−0.0099 (7)	−0.0056 (7)	−0.0099 (7)
C53	0.0327 (9)	0.0346 (9)	0.0238 (9)	−0.0014 (7)	0.0022 (7)	−0.0078 (7)
C54	0.0295 (9)	0.0442 (11)	0.0330 (10)	0.0015 (8)	−0.0112 (7)	−0.0057 (8)
C55	0.0499 (12)	0.0349 (10)	0.0279 (9)	−0.0019 (8)	−0.0088 (8)	−0.0105 (7)
C56	0.0441 (11)	0.0361 (10)	0.0234 (9)	−0.0054 (8)	0.0080 (7)	−0.0040 (7)
C61	0.0317 (9)	0.0246 (9)	0.0433 (11)	−0.0091 (7)	−0.0028 (8)	0.0003 (7)
C62	0.0389 (10)	0.0308 (9)	0.0480 (12)	−0.0090 (8)	−0.0176 (9)	−0.0058 (8)
C63	0.0522 (12)	0.0318 (10)	0.0316 (10)	−0.0083 (8)	−0.0022 (8)	−0.0119 (8)
C64	0.0236 (9)	0.0319 (10)	0.0707 (14)	−0.0097 (7)	−0.0072 (9)	0.0022 (9)
C65	0.0205 (8)	0.0433 (11)	0.0381 (10)	−0.0014 (7)	0.0036 (7)	0.0045 (8)
C66	0.0245 (8)	0.0297 (9)	0.0336 (9)	−0.0046 (7)	−0.0042 (7)	−0.0039 (7)

Geometric parameters (Å, º)

Mg1—O12	1.8702 (11)	C26—H26	0.9500
Mg1—O11	2.0008 (11)	C27—H27	0.9500
Mg1—O21	2.0015 (11)	C31—C32	1.428 (2)
Mg1—O13	2.1461 (12)	C31—C36	1.430 (2)
Mg1—O14	2.2264 (13)	C32—C33	1.395 (2)
Mg1—Mg2	2.9486 (7)	C32—C37	1.544 (2)
Mg2—O22	1.8628 (11)	C33—C34	1.384 (2)
Mg2—O11	1.9391 (11)	C33—H33	0.9500
Mg2—O21	1.9586 (11)	C34—C35	1.385 (2)
Mg2—O23	2.0341 (12)	C34—C39	1.513 (2)
O11—C11	1.4152 (18)	C35—C36	1.396 (2)
O12—C31	1.3299 (17)	C35—H35	0.9500
O13—C2A	1.408 (4)	C36—C38	1.540 (2)
O13—C1B	1.434 (6)	C37—C52	1.533 (2)
O13—C1A	1.434 (7)	C37—C53	1.539 (2)
O13—C2B	1.457 (4)	C37—C51	1.539 (2)
O14—C4	1.410 (2)	C38—C55	1.534 (2)
O14—C3B	1.428 (5)	C38—C56	1.537 (2)
O14—C3A	1.457 (5)	C38—C54	1.539 (2)
O21—C21	1.4079 (18)	C39—H39A	0.9800
O22—C41	1.3316 (17)	C39—H39B	0.9800
O23—C8	1.461 (2)	C39—H39C	0.9800
O23—C5	1.4641 (19)	C41—C46	1.429 (2)
C1A—H1AA	0.9800	C41—C42	1.429 (2)
C1A—H1AB	0.9800	C42—C43	1.395 (2)
C1A—H1AC	0.9800	C42—C47	1.539 (2)
C2A—C3A	1.508 (10)	C43—C44	1.386 (2)
C2A—H2AA	0.9900	C43—H43	0.9500
C2A—H2AB	0.9900	C44—C45	1.387 (2)
C3A—H3AA	0.9900	C44—C49	1.514 (2)
C3A—H3AB	0.9900	C45—C46	1.396 (2)
C1B—H1BA	0.9800	C45—H45	0.9500
C1B—H1BB	0.9800	C46—C48	1.542 (2)
C1B—H1BC	0.9800	C47—C61	1.538 (2)
C2B—C3B	1.477 (10)	C47—C63	1.538 (2)
C2B—H2BA	0.9900	C47—C62	1.547 (2)
C2B—H2BB	0.9900	C48—C65	1.539 (2)
C3B—H3BA	0.9900	C48—C64	1.540 (2)
C3B—H3BB	0.9900	C48—C66	1.540 (2)
C4—H4A	0.9800	C49—H49A	0.9800
C4—H4B	0.9800	C49—H49B	0.9800
C4—H4C	0.9800	C49—H49C	0.9800
C5—C6	1.501 (3)	C51—H51A	0.9800
C5—H5A	0.9900	C51—H51B	0.9800
C5—H5B	0.9900	C51—H51C	0.9800
C6—C7	1.517 (3)	C52—H52A	0.9800
C6—H6A	0.9900	C52—H52B	0.9800
C6—H6B	0.9900	C52—H52C	0.9800
C7—C8	1.500 (3)	C53—H53A	0.9800
C7—H7A	0.9900	C53—H53B	0.9800
C7—H7B	0.9900	C53—H53C	0.9800
C8—H8A	0.9900	C54—H54A	0.9800
C8—H8B	0.9900	C54—H54B	0.9800
C11—C12	1.508 (2)	C54—H54C	0.9800
C11—H11A	0.9900	C55—H55A	0.9800
C11—H11B	0.9900	C55—H55B	0.9800
C12—C13	1.388 (2)	C55—H55C	0.9800
C12—C17	1.390 (2)	C56—H56A	0.9800
C13—C14	1.389 (3)	C56—H56B	0.9800
C13—H13	0.9500	C56—H56C	0.9800
C14—C15	1.376 (3)	C61—H61A	0.9800
C14—H14	0.9500	C61—H61B	0.9800
C15—C16	1.383 (3)	C61—H61C	0.9800
C15—H15	0.9500	C62—H62A	0.9800
C16—C17	1.383 (3)	C62—H62B	0.9800
C16—H16	0.9500	C62—H62C	0.9800
C17—H17	0.9500	C63—H63A	0.9800
C21—C22	1.513 (2)	C63—H63B	0.9800
C21—H21A	0.9900	C63—H63C	0.9800
C21—H21B	0.9900	C64—H64A	0.9800
C22—C27	1.375 (3)	C64—H64B	0.9800
C22—C23	1.397 (2)	C64—H64C	0.9800
C23—C24	1.385 (3)	C65—H65A	0.9800
C23—H23	0.9500	C65—H65B	0.9800
C24—C25	1.379 (3)	C65—H65C	0.9800
C24—H24	0.9500	C66—H66A	0.9800
C25—C26	1.371 (3)	C66—H66B	0.9800
C25—H25	0.9500	C66—H66C	0.9800
C26—C27	1.397 (3)
O12—Mg1—O11	109.28 (5)	C26—C25—H25	120.4
O12—Mg1—O21	128.01 (5)	C24—C25—H25	120.4
O11—Mg1—O21	81.33 (4)	C25—C26—C27	120.5 (2)
O12—Mg1—O13	122.63 (5)	C25—C26—H26	119.8
O11—Mg1—O13	90.42 (5)	C27—C26—H26	119.8
O21—Mg1—O13	107.49 (5)	C22—C27—C26	120.88 (18)
O12—Mg1—O14	91.00 (5)	C22—C27—H27	119.6
O11—Mg1—O14	158.56 (5)	C26—C27—H27	119.6
O21—Mg1—O14	91.74 (5)	O12—C31—C32	120.80 (13)
O13—Mg1—O14	72.23 (5)	O12—C31—C36	120.44 (13)
O12—Mg1—Mg2	134.30 (4)	C32—C31—C36	118.77 (13)
O11—Mg1—Mg2	40.76 (3)	C33—C32—C31	118.73 (13)
O21—Mg1—Mg2	41.32 (3)	C33—C32—C37	119.16 (13)
O13—Mg1—Mg2	95.73 (4)	C31—C32—C37	122.11 (13)
O14—Mg1—Mg2	126.63 (4)	C34—C33—C32	123.15 (14)
O22—Mg2—O11	121.16 (5)	C34—C33—H33	118.4
O22—Mg2—O21	124.34 (5)	C32—C33—H33	118.4
O11—Mg2—O21	84.00 (5)	C33—C34—C35	117.56 (14)
O22—Mg2—O23	101.36 (5)	C33—C34—C39	120.87 (15)
O11—Mg2—O23	110.06 (5)	C35—C34—C39	121.57 (14)
O21—Mg2—O23	115.90 (5)	C34—C35—C36	123.00 (14)
O22—Mg2—Mg1	130.32 (4)	C34—C35—H35	118.5
O11—Mg2—Mg1	42.35 (3)	C36—C35—H35	118.5
O21—Mg2—Mg1	42.44 (3)	C35—C36—C31	118.74 (13)
O23—Mg2—Mg1	127.99 (4)	C35—C36—C38	119.46 (13)
C11—O11—Mg2	129.76 (9)	C31—C36—C38	121.80 (13)
C11—O11—Mg1	132.84 (9)	C52—C37—C53	109.48 (14)
Mg2—O11—Mg1	96.89 (5)	C52—C37—C51	106.07 (14)
C31—O12—Mg1	176.91 (10)	C53—C37—C51	107.29 (13)
C2A—O13—C1A	119.5 (16)	C52—C37—C32	111.04 (13)
C1B—O13—C2B	115.4 (17)	C53—C37—C32	110.42 (13)
C2A—O13—Mg1	112.1 (2)	C51—C37—C32	112.36 (13)
C1B—O13—Mg1	128.4 (17)	C55—C38—C56	106.74 (14)
C1A—O13—Mg1	126.9 (17)	C55—C38—C54	107.15 (14)
C2B—O13—Mg1	116.2 (2)	C56—C38—C54	109.57 (14)
C4—O14—C3B	118.3 (3)	C55—C38—C36	112.54 (13)
C4—O14—C3A	105.9 (3)	C56—C38—C36	110.51 (13)
C4—O14—Mg1	130.47 (12)	C54—C38—C36	110.21 (13)
C3B—O14—Mg1	110.3 (3)	C34—C39—H39A	109.5
C3A—O14—Mg1	114.7 (3)	C34—C39—H39B	109.5
C21—O21—Mg2	135.55 (9)	H39A—C39—H39B	109.5
C21—O21—Mg1	126.23 (9)	C34—C39—H39C	109.5
Mg2—O21—Mg1	96.24 (5)	H39A—C39—H39C	109.5
C41—O22—Mg2	159.20 (10)	H39B—C39—H39C	109.5
C8—O23—C5	108.98 (12)	O22—C41—C46	120.55 (13)
C8—O23—Mg2	128.24 (10)	O22—C41—C42	120.84 (13)
C5—O23—Mg2	122.74 (10)	C46—C41—C42	118.61 (13)
O13—C1A—H1AA	109.5	C43—C42—C41	118.88 (14)
O13—C1A—H1AB	109.5	C43—C42—C47	119.91 (14)
H1AA—C1A—H1AB	109.5	C41—C42—C47	121.21 (13)
O13—C1A—H1AC	109.5	C44—C43—C42	122.79 (14)
H1AA—C1A—H1AC	109.5	C44—C43—H43	118.6
H1AB—C1A—H1AC	109.5	C42—C43—H43	118.6
O13—C2A—C3A	104.5 (4)	C43—C44—C45	117.64 (14)
O13—C2A—H2AA	110.9	C43—C44—C49	121.11 (14)
C3A—C2A—H2AA	110.9	C45—C44—C49	121.24 (14)
O13—C2A—H2AB	110.9	C44—C45—C46	122.98 (14)
C3A—C2A—H2AB	110.9	C44—C45—H45	118.5
H2AA—C2A—H2AB	108.9	C46—C45—H45	118.5
O14—C3A—C2A	108.0 (5)	C45—C46—C41	118.69 (13)
O14—C3A—H3AA	110.1	C45—C46—C48	119.78 (13)
C2A—C3A—H3AA	110.1	C41—C46—C48	121.53 (13)
O14—C3A—H3AB	110.1	C61—C47—C63	110.74 (14)
C2A—C3A—H3AB	110.1	C61—C47—C42	110.80 (13)
H3AA—C3A—H3AB	108.4	C63—C47—C42	110.25 (14)
O13—C1B—H1BA	109.5	C61—C47—C62	106.33 (14)
O13—C1B—H1BB	109.5	C63—C47—C62	106.46 (14)
H1BA—C1B—H1BB	109.5	C42—C47—C62	112.13 (13)
O13—C1B—H1BC	109.5	C65—C48—C64	106.98 (15)
H1BA—C1B—H1BC	109.5	C65—C48—C66	110.33 (13)
H1BB—C1B—H1BC	109.5	C64—C48—C66	106.03 (14)
O13—C2B—C3B	108.8 (4)	C65—C48—C46	110.88 (14)
O13—C2B—H2BA	109.9	C64—C48—C46	111.99 (13)
C3B—C2B—H2BA	109.9	C66—C48—C46	110.48 (13)
O13—C2B—H2BB	109.9	C44—C49—H49A	109.5
C3B—C2B—H2BB	109.9	C44—C49—H49B	109.5
H2BA—C2B—H2BB	108.3	H49A—C49—H49B	109.5
O14—C3B—C2B	102.2 (4)	C44—C49—H49C	109.5
O14—C3B—H3BA	111.3	H49A—C49—H49C	109.5
C2B—C3B—H3BA	111.3	H49B—C49—H49C	109.5
O14—C3B—H3BB	111.3	C37—C51—H51A	109.5
C2B—C3B—H3BB	111.3	C37—C51—H51B	109.5
H3BA—C3B—H3BB	109.2	H51A—C51—H51B	109.5
O14—C4—H4A	109.5	C37—C51—H51C	109.5
O14—C4—H4B	109.5	H51A—C51—H51C	109.5
H4A—C4—H4B	109.5	H51B—C51—H51C	109.5
O14—C4—H4C	109.5	C37—C52—H52A	109.5
H4A—C4—H4C	109.5	C37—C52—H52B	109.5
H4B—C4—H4C	109.5	H52A—C52—H52B	109.5
O23—C5—C6	105.25 (14)	C37—C52—H52C	109.5
O23—C5—H5A	110.7	H52A—C52—H52C	109.5
C6—C5—H5A	110.7	H52B—C52—H52C	109.5
O23—C5—H5B	110.7	C37—C53—H53A	109.5
C6—C5—H5B	110.7	C37—C53—H53B	109.5
H5A—C5—H5B	108.8	H53A—C53—H53B	109.5
C5—C6—C7	101.59 (15)	C37—C53—H53C	109.5
C5—C6—H6A	111.5	H53A—C53—H53C	109.5
C7—C6—H6A	111.5	H53B—C53—H53C	109.5
C5—C6—H6B	111.5	C38—C54—H54A	109.5
C7—C6—H6B	111.5	C38—C54—H54B	109.5
H6A—C6—H6B	109.3	H54A—C54—H54B	109.5
C8—C7—C6	103.11 (16)	C38—C54—H54C	109.5
C8—C7—H7A	111.1	H54A—C54—H54C	109.5
C6—C7—H7A	111.1	H54B—C54—H54C	109.5
C8—C7—H7B	111.1	C38—C55—H55A	109.5
C6—C7—H7B	111.1	C38—C55—H55B	109.5
H7A—C7—H7B	109.1	H55A—C55—H55B	109.5
O23—C8—C7	104.90 (15)	C38—C55—H55C	109.5
O23—C8—H8A	110.8	H55A—C55—H55C	109.5
C7—C8—H8A	110.8	H55B—C55—H55C	109.5
O23—C8—H8B	110.8	C38—C56—H56A	109.5
C7—C8—H8B	110.8	C38—C56—H56B	109.5
H8A—C8—H8B	108.8	H56A—C56—H56B	109.5
O11—C11—C12	113.48 (12)	C38—C56—H56C	109.5
O11—C11—H11A	108.9	H56A—C56—H56C	109.5
C12—C11—H11A	108.9	H56B—C56—H56C	109.5
O11—C11—H11B	108.9	C47—C61—H61A	109.5
C12—C11—H11B	108.9	C47—C61—H61B	109.5
H11A—C11—H11B	107.7	H61A—C61—H61B	109.5
C13—C12—C17	118.68 (15)	C47—C61—H61C	109.5
C13—C12—C11	120.64 (14)	H61A—C61—H61C	109.5
C17—C12—C11	120.67 (14)	H61B—C61—H61C	109.5
C12—C13—C14	120.97 (17)	C47—C62—H62A	109.5
C12—C13—H13	119.5	C47—C62—H62B	109.5
C14—C13—H13	119.5	H62A—C62—H62B	109.5
C15—C14—C13	119.76 (18)	C47—C62—H62C	109.5
C15—C14—H14	120.1	H62A—C62—H62C	109.5
C13—C14—H14	120.1	H62B—C62—H62C	109.5
C14—C15—C16	119.80 (17)	C47—C63—H63A	109.5
C14—C15—H15	120.1	C47—C63—H63B	109.5
C16—C15—H15	120.1	H63A—C63—H63B	109.5
C15—C16—C17	120.54 (17)	C47—C63—H63C	109.5
C15—C16—H16	119.7	H63A—C63—H63C	109.5
C17—C16—H16	119.7	H63B—C63—H63C	109.5
C16—C17—C12	120.24 (17)	C48—C64—H64A	109.5
C16—C17—H17	119.9	C48—C64—H64B	109.5
C12—C17—H17	119.9	H64A—C64—H64B	109.5
O21—C21—C22	116.27 (14)	C48—C64—H64C	109.5
O21—C21—H21A	108.2	H64A—C64—H64C	109.5
C22—C21—H21A	108.2	H64B—C64—H64C	109.5
O21—C21—H21B	108.2	C48—C65—H65A	109.5
C22—C21—H21B	108.2	C48—C65—H65B	109.5
H21A—C21—H21B	107.4	H65A—C65—H65B	109.5
C27—C22—C23	118.30 (17)	C48—C65—H65C	109.5
C27—C22—C21	123.79 (15)	H65A—C65—H65C	109.5
C23—C22—C21	117.91 (16)	H65B—C65—H65C	109.5
C24—C23—C22	120.4 (2)	C48—C66—H66A	109.5
C24—C23—H23	119.8	C48—C66—H66B	109.5
C22—C23—H23	119.8	H66A—C66—H66B	109.5
C25—C24—C23	120.77 (19)	C48—C66—H66C	109.5
C25—C24—H24	119.6	H66A—C66—H66C	109.5
C23—C24—H24	119.6	H66B—C66—H66C	109.5
C26—C25—C24	119.13 (19)
O11—Mg2—O22—C41	−140.5 (3)	C31—C32—C33—C34	0.0 (2)
O21—Mg2—O22—C41	114.1 (3)	C37—C32—C33—C34	179.75 (14)
O23—Mg2—O22—C41	−18.5 (3)	C32—C33—C34—C35	−1.8 (2)
Mg1—Mg2—O22—C41	167.8 (3)	C32—C33—C34—C39	178.81 (15)
C1B—O13—C2A—C3A	151.3 (13)	C33—C34—C35—C36	1.4 (2)
C1A—O13—C2A—C3A	134.1 (13)	C39—C34—C35—C36	−179.18 (14)
C2B—O13—C2A—C3A	45.6 (5)	C34—C35—C36—C31	0.7 (2)
Mg1—O13—C2A—C3A	−58.8 (4)	C34—C35—C36—C38	−179.98 (14)
C4—O14—C3A—C2A	−171.3 (4)	O12—C31—C36—C35	177.38 (13)
C3B—O14—C3A—C2A	64.9 (13)	C32—C31—C36—C35	−2.4 (2)
Mg1—O14—C3A—C2A	−20.3 (5)	O12—C31—C36—C38	−1.9 (2)
O13—C2A—C3A—O14	49.1 (5)	C32—C31—C36—C38	178.26 (13)
C2A—O13—C2B—C3B	−62.1 (6)	C33—C32—C37—C52	−122.89 (15)
C1B—O13—C2B—C3B	−150.1 (11)	C31—C32—C37—C52	56.82 (18)
C1A—O13—C2B—C3B	−170.0 (12)	C33—C32—C37—C53	115.47 (15)
Mg1—O13—C2B—C3B	28.1 (4)	C31—C32—C37—C53	−64.82 (19)
C4—O14—C3B—C2B	−113.1 (4)	C33—C32—C37—C51	−4.3 (2)
C3A—O14—C3B—C2B	−48.0 (13)	C31—C32—C37—C51	175.43 (14)
Mg1—O14—C3B—C2B	57.1 (4)	C35—C36—C38—C55	3.4 (2)
O13—C2B—C3B—O14	−54.1 (5)	C31—C36—C38—C55	−177.30 (14)
C8—O23—C5—C6	14.77 (19)	C35—C36—C38—C56	122.60 (15)
Mg2—O23—C5—C6	−162.99 (12)	C31—C36—C38—C56	−58.08 (18)
O23—C5—C6—C7	−33.7 (2)	C35—C36—C38—C54	−116.15 (16)
C5—C6—C7—C8	40.0 (2)	C31—C36—C38—C54	63.18 (19)
C5—O23—C8—C7	10.7 (2)	Mg2—O22—C41—C46	−82.3 (3)
Mg2—O23—C8—C7	−171.65 (13)	Mg2—O22—C41—C42	98.3 (3)
C6—C7—C8—O23	−31.6 (2)	O22—C41—C42—C43	−173.45 (14)
Mg2—O11—C11—C12	88.34 (15)	C46—C41—C42—C43	7.2 (2)
Mg1—O11—C11—C12	−101.75 (14)	O22—C41—C42—C47	7.6 (2)
O11—C11—C12—C13	−128.61 (15)	C46—C41—C42—C47	−171.82 (14)
O11—C11—C12—C17	51.83 (19)	C41—C42—C43—C44	−3.1 (2)
C17—C12—C13—C14	−0.2 (3)	C47—C42—C43—C44	175.89 (15)
C11—C12—C13—C14	−179.78 (16)	C42—C43—C44—C45	−2.1 (2)
C12—C13—C14—C15	−0.4 (3)	C42—C43—C44—C49	179.25 (16)
C13—C14—C15—C16	0.3 (3)	C43—C44—C45—C46	3.3 (2)
C14—C15—C16—C17	0.5 (3)	C49—C44—C45—C46	−178.07 (16)
C15—C16—C17—C12	−1.2 (3)	C44—C45—C46—C41	0.8 (2)
C13—C12—C17—C16	1.0 (2)	C44—C45—C46—C48	−179.20 (15)
C11—C12—C17—C16	−179.43 (15)	O22—C41—C46—C45	174.55 (14)
Mg2—O21—C21—C22	−70.13 (18)	C42—C41—C46—C45	−6.1 (2)
Mg1—O21—C21—C22	129.93 (12)	O22—C41—C46—C48	−5.4 (2)
O21—C21—C22—C27	0.5 (2)	C42—C41—C46—C48	173.97 (14)
O21—C21—C22—C23	−179.63 (14)	C43—C42—C47—C61	111.45 (16)
C27—C22—C23—C24	−0.1 (3)	C41—C42—C47—C61	−69.58 (19)
C21—C22—C23—C24	−179.89 (17)	C43—C42—C47—C63	−125.61 (16)
C22—C23—C24—C25	−0.2 (3)	C41—C42—C47—C63	53.37 (19)
C23—C24—C25—C26	0.4 (3)	C43—C42—C47—C62	−7.2 (2)
C24—C25—C26—C27	−0.3 (3)	C41—C42—C47—C62	171.79 (15)
C23—C22—C27—C26	0.2 (3)	C45—C46—C48—C65	124.55 (16)
C21—C22—C27—C26	179.98 (16)	C41—C46—C48—C65	−55.48 (19)
C25—C26—C27—C22	0.0 (3)	C45—C46—C48—C64	5.1 (2)
O12—C31—C32—C33	−177.71 (13)	C41—C46—C48—C64	−174.89 (15)
C36—C31—C32—C33	2.1 (2)	C45—C46—C48—C66	−112.80 (16)
O12—C31—C32—C37	2.6 (2)	C41—C46—C48—C66	67.16 (19)
C36—C31—C32—C37	−177.64 (13)

Bis(2,6-di-tert-butyl-4-methylphenolato)-1κO,3κO- tetrakis(µ-2-methylphenolato)-1:2κ⁴O:O;2:3κ⁴O:O-bis(tetrahydrofuran)-1κO,3κO-trimagnesium(II) (II)

Crystal data

[Mg3O4(C7H7O)4(C15H23O)2(C4H8O)2]	F(000) = 2344
Mr = 1084.30	Dx = 1.155 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 23.1969 (17) Å	Cell parameters from 8057 reflections
b = 11.2068 (8) Å	θ = 2.8–30.2°
c = 24.3880 (17) Å	µ = 0.10 mm^−1
β = 100.344 (1)°	T = 150 K
V = 6236.9 (8) Å^3	Prism, colourless
Z = 4	0.45 × 0.25 × 0.20 mm

Data collection

Bruker SMART APEXII area-detector diffractometer	8299 independent reflections
Radiation source: fine-focus sealed tube	6086 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
ω scans	θmax = 29.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	h = −31→31
Tmin = 0.676, Tmax = 0.746	k = −15→15
33975 measured reflections	l = −32→33

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.049	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.144	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0713P)^2 + 3.5524P] where P = (Fo^2 + 2Fc^2)/3
8299 reflections	(Δ/σ)max = 0.001
398 parameters	Δρmax = 0.43 e Å^−3
72 restraints	Δρmin = −0.30 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Mg1	0.41987 (2)	0.40278 (4)	0.33096 (2)	0.02854 (12)
Mg2	0.5000	0.42428 (6)	0.2500	0.02750 (15)
O1	0.35234 (4)	0.45465 (10)	0.35300 (4)	0.0368 (2)
C11	0.31398 (6)	0.44795 (14)	0.38772 (6)	0.0321 (3)
C12	0.26859 (6)	0.36135 (16)	0.37923 (6)	0.0375 (3)
C13	0.23303 (7)	0.35077 (17)	0.41968 (7)	0.0437 (4)
H13	0.2034	0.2913	0.4148	0.052*
C14	0.23908 (7)	0.42280 (16)	0.46642 (6)	0.0395 (4)
C15	0.28067 (7)	0.51182 (16)	0.47174 (6)	0.0385 (3)
H15	0.2843	0.5639	0.5029	0.046*
C16	0.31772 (6)	0.52872 (14)	0.43326 (6)	0.0360 (3)
C17	0.25651 (7)	0.28452 (19)	0.32624 (7)	0.0518 (5)
C18	0.35974 (8)	0.63597 (17)	0.43946 (8)	0.0507 (4)
C19	0.19903 (8)	0.4097 (2)	0.50883 (8)	0.0548 (5)
H19A	0.2189	0.4402	0.5450	0.082*
H19B	0.1894	0.3253	0.5125	0.082*
H19C	0.1629	0.4551	0.4964	0.082*
C1	0.20028 (10)	0.2093 (3)	0.32330 (10)	0.0802 (8)
H1A	0.1671	0.2621	0.3255	0.120*
H1B	0.2053	0.1529	0.3545	0.120*
H1C	0.1927	0.1651	0.2881	0.120*
C2	0.24745 (9)	0.3641 (2)	0.27421 (8)	0.0672 (6)
H2A	0.2125	0.4137	0.2735	0.101*
H2B	0.2423	0.3140	0.2408	0.101*
H2C	0.2818	0.4155	0.2751	0.101*
C3	0.30646 (9)	0.19468 (18)	0.32452 (9)	0.0591 (5)
H3A	0.2971	0.1459	0.2908	0.089*
H3B	0.3109	0.1430	0.3574	0.089*
H3C	0.3431	0.2380	0.3243	0.089*
C4	0.35066 (11)	0.7190 (2)	0.48756 (11)	0.0753 (7)
H4A	0.3591	0.6752	0.5229	0.113*
H4B	0.3100	0.7471	0.4812	0.113*
H4C	0.3771	0.7876	0.4892	0.113*
C5	0.34763 (10)	0.71137 (19)	0.38629 (11)	0.0675 (6)
H5A	0.3510	0.6613	0.3541	0.101*
H5B	0.3761	0.7766	0.3891	0.101*
H5C	0.3080	0.7445	0.3816	0.101*
C6	0.42381 (8)	0.5953 (2)	0.45219 (9)	0.0574 (5)
H6A	0.4314	0.5406	0.4229	0.086*
H6B	0.4314	0.5542	0.4883	0.086*
H6C	0.4496	0.6649	0.4535	0.086*
O2	0.48696 (4)	0.50074 (9)	0.31832 (4)	0.0349 (2)
C21	0.51192 (7)	0.59821 (13)	0.34654 (6)	0.0348 (3)
C22	0.48993 (8)	0.71135 (15)	0.33150 (7)	0.0443 (4)
C23	0.51822 (10)	0.80854 (17)	0.36060 (9)	0.0573 (5)
H23	0.5044	0.8868	0.3506	0.069*
C24	0.56521 (10)	0.79461 (19)	0.40307 (9)	0.0606 (6)
H24	0.5836	0.8626	0.4219	0.073*
C25	0.58562 (8)	0.68262 (19)	0.41829 (8)	0.0513 (5)
H25	0.6180	0.6726	0.4479	0.062*
C26	0.55897 (7)	0.58396 (16)	0.39039 (7)	0.0402 (4)
H26	0.5728	0.5062	0.4012	0.048*
C27	0.43842 (10)	0.7265 (2)	0.28539 (8)	0.0616 (5)
H27A	0.4078	0.6694	0.2903	0.092*
H27B	0.4506	0.7122	0.2495	0.092*
H27C	0.4232	0.8079	0.2862	0.092*
O3	0.43020 (4)	0.33412 (9)	0.25932 (4)	0.0326 (2)
C31A	0.39423 (12)	0.2831 (2)	0.21716 (9)	0.0380 (9)	0.537 (4)
C32A	0.38973 (12)	0.1603 (2)	0.20943 (11)	0.0553 (10)	0.537 (4)
C33A	0.35263 (15)	0.1140 (2)	0.16321 (13)	0.0777 (13)	0.537 (4)
H33A	0.3496	0.0301	0.1579	0.093*	0.537 (4)
C34A	0.32003 (14)	0.1905 (3)	0.12473 (10)	0.0894 (15)	0.537 (4)
H34A	0.2947	0.1588	0.0931	0.107*	0.537 (4)
C35A	0.32452 (12)	0.3132 (3)	0.13246 (10)	0.0770 (13)	0.537 (4)
H35A	0.3022	0.3655	0.1062	0.092*	0.537 (4)
C36A	0.36162 (12)	0.3595 (2)	0.17868 (11)	0.0501 (10)	0.537 (4)
H36A	0.3647	0.4434	0.1840	0.060*	0.537 (4)
C37A	0.4212 (2)	0.0773 (4)	0.2516 (2)	0.0765 (16)	0.537 (4)
H37A	0.4236	−0.0015	0.2348	0.115*	0.537 (4)
H37B	0.4001	0.0709	0.2829	0.115*	0.537 (4)
H37C	0.4609	0.1075	0.2651	0.115*	0.537 (4)
C31B	0.40110 (14)	0.2520 (2)	0.22247 (12)	0.0353 (10)	0.463 (4)
C32B	0.35930 (12)	0.2811 (2)	0.17609 (12)	0.0466 (10)	0.463 (4)
C33B	0.33457 (14)	0.1921 (3)	0.13960 (11)	0.0682 (13)	0.463 (4)
H33B	0.3060	0.2120	0.1079	0.082*	0.463 (4)
C34B	0.35165 (17)	0.0740 (3)	0.14949 (14)	0.0790 (15)	0.463 (4)
H34B	0.3347	0.0132	0.1245	0.095*	0.463 (4)
C35B	0.39345 (16)	0.0449 (2)	0.19587 (14)	0.0698 (13)	0.463 (4)
H35B	0.4051	−0.0358	0.2026	0.084*	0.463 (4)
C36B	0.41817 (14)	0.1339 (3)	0.23236 (12)	0.0503 (10)	0.463 (4)
H36B	0.4467	0.1140	0.2641	0.060*	0.463 (4)
C37B	0.3389 (2)	0.4050 (5)	0.1664 (3)	0.0708 (18)	0.463 (4)
H37D	0.3093	0.4088	0.1323	0.106*	0.463 (4)
H37E	0.3721	0.4563	0.1624	0.106*	0.463 (4)
H37F	0.3217	0.4323	0.1981	0.106*	0.463 (4)
O4	0.45722 (5)	0.28849 (11)	0.39011 (4)	0.0394 (3)
C41	0.43399 (9)	0.2524 (2)	0.43896 (8)	0.0563 (5)
H41A	0.3906	0.2519	0.4310	0.068*
H41B	0.4475	0.3070	0.4706	0.068*
C42	0.45724 (14)	0.1306 (3)	0.45167 (13)	0.0978 (10)
H42A	0.4675	0.1186	0.4925	0.117*
H42B	0.4276	0.0702	0.4361	0.117*
C43	0.50903 (12)	0.1193 (2)	0.42639 (12)	0.0784 (7)
H43A	0.5067	0.0459	0.4035	0.094*
H43B	0.5446	0.1148	0.4556	0.094*
C44	0.51146 (9)	0.2257 (2)	0.39112 (9)	0.0595 (5)
H44A	0.5451	0.2768	0.4070	0.071*
H44B	0.5157	0.2018	0.3530	0.071*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mg1	0.0266 (2)	0.0353 (3)	0.0265 (2)	−0.00258 (18)	0.01210 (17)	−0.00349 (18)
Mg2	0.0275 (3)	0.0310 (3)	0.0269 (3)	0.000	0.0129 (2)	0.000
O1	0.0291 (5)	0.0504 (6)	0.0349 (5)	0.0006 (4)	0.0164 (4)	−0.0025 (5)
C11	0.0250 (6)	0.0454 (8)	0.0277 (7)	0.0049 (6)	0.0100 (5)	0.0022 (6)
C12	0.0285 (7)	0.0544 (9)	0.0316 (7)	−0.0011 (6)	0.0110 (6)	−0.0047 (7)
C13	0.0340 (8)	0.0598 (10)	0.0410 (8)	−0.0085 (7)	0.0173 (7)	−0.0043 (8)
C14	0.0326 (7)	0.0589 (10)	0.0301 (7)	0.0036 (7)	0.0137 (6)	0.0018 (7)
C15	0.0326 (7)	0.0544 (9)	0.0305 (7)	0.0054 (7)	0.0106 (6)	−0.0049 (7)
C16	0.0288 (7)	0.0464 (8)	0.0347 (7)	0.0046 (6)	0.0107 (6)	−0.0020 (6)
C17	0.0355 (8)	0.0808 (13)	0.0433 (9)	−0.0179 (8)	0.0183 (7)	−0.0227 (9)
C18	0.0457 (9)	0.0541 (10)	0.0588 (11)	−0.0081 (8)	0.0266 (8)	−0.0180 (9)
C19	0.0500 (10)	0.0800 (14)	0.0414 (9)	−0.0076 (9)	0.0271 (8)	−0.0042 (9)
C1	0.0527 (12)	0.124 (2)	0.0722 (14)	−0.0433 (13)	0.0320 (11)	−0.0521 (14)
C2	0.0497 (11)	0.1186 (19)	0.0336 (9)	−0.0038 (12)	0.0080 (8)	−0.0161 (11)
C3	0.0558 (11)	0.0623 (12)	0.0673 (12)	−0.0198 (9)	0.0333 (10)	−0.0280 (10)
C4	0.0690 (14)	0.0731 (15)	0.0951 (17)	−0.0214 (11)	0.0457 (13)	−0.0436 (13)
C5	0.0726 (14)	0.0480 (11)	0.0921 (17)	−0.0023 (10)	0.0425 (13)	0.0020 (11)
C6	0.0403 (9)	0.0768 (13)	0.0597 (11)	−0.0151 (9)	0.0210 (8)	−0.0263 (10)
O2	0.0353 (5)	0.0374 (5)	0.0359 (5)	−0.0099 (4)	0.0171 (4)	−0.0110 (4)
C21	0.0377 (8)	0.0379 (8)	0.0338 (7)	−0.0095 (6)	0.0204 (6)	−0.0091 (6)
C22	0.0550 (10)	0.0437 (9)	0.0386 (8)	−0.0004 (7)	0.0200 (7)	−0.0047 (7)
C23	0.0838 (15)	0.0370 (9)	0.0574 (11)	−0.0065 (9)	0.0297 (11)	−0.0103 (8)
C24	0.0725 (14)	0.0567 (12)	0.0583 (12)	−0.0258 (10)	0.0274 (10)	−0.0268 (10)
C25	0.0432 (9)	0.0722 (13)	0.0416 (9)	−0.0172 (9)	0.0164 (7)	−0.0164 (9)
C26	0.0369 (8)	0.0488 (9)	0.0392 (8)	−0.0064 (7)	0.0187 (7)	−0.0042 (7)
C27	0.0722 (13)	0.0678 (13)	0.0463 (10)	0.0162 (11)	0.0145 (9)	0.0022 (9)
O3	0.0325 (5)	0.0396 (5)	0.0286 (5)	−0.0088 (4)	0.0133 (4)	−0.0082 (4)
C31A	0.0339 (17)	0.0557 (19)	0.0302 (17)	−0.0178 (15)	0.0211 (14)	−0.0090 (14)
C32A	0.056 (2)	0.066 (2)	0.0532 (19)	−0.0331 (17)	0.0358 (16)	−0.0255 (17)
C33A	0.073 (2)	0.108 (3)	0.063 (2)	−0.059 (2)	0.0419 (19)	−0.048 (2)
C34A	0.068 (2)	0.147 (4)	0.058 (2)	−0.059 (2)	0.0249 (19)	−0.039 (2)
C35A	0.0507 (19)	0.139 (3)	0.0408 (18)	−0.023 (2)	0.0083 (15)	−0.008 (2)
C36A	0.0323 (17)	0.090 (3)	0.0303 (15)	−0.0107 (18)	0.0113 (13)	−0.0021 (18)
C37A	0.083 (3)	0.042 (2)	0.119 (4)	−0.002 (2)	0.059 (3)	0.000 (2)
C31B	0.0314 (18)	0.047 (2)	0.0310 (18)	−0.0145 (15)	0.0150 (14)	−0.0154 (15)
C32B	0.0333 (16)	0.076 (2)	0.0338 (17)	−0.0198 (18)	0.0151 (14)	−0.0112 (18)
C33B	0.047 (2)	0.113 (3)	0.047 (2)	−0.040 (2)	0.0162 (19)	−0.030 (2)
C34B	0.081 (3)	0.100 (3)	0.065 (3)	−0.045 (3)	0.035 (2)	−0.042 (2)
C35B	0.084 (3)	0.058 (2)	0.079 (3)	−0.023 (2)	0.045 (2)	−0.023 (2)
C36B	0.062 (2)	0.044 (2)	0.052 (2)	−0.015 (2)	0.0288 (19)	−0.0097 (18)
C37B	0.042 (3)	0.099 (4)	0.079 (4)	0.013 (3)	0.029 (3)	0.038 (3)
O4	0.0365 (6)	0.0528 (7)	0.0327 (5)	0.0078 (5)	0.0163 (4)	0.0074 (5)
C41	0.0592 (11)	0.0761 (13)	0.0405 (9)	0.0180 (10)	0.0275 (8)	0.0190 (9)
C42	0.115 (2)	0.0818 (17)	0.116 (2)	0.0388 (16)	0.0722 (19)	0.0542 (17)
C43	0.0900 (17)	0.0507 (12)	0.1009 (19)	0.0234 (12)	0.0344 (15)	0.0118 (12)
C44	0.0469 (10)	0.0826 (14)	0.0538 (11)	0.0262 (10)	0.0222 (8)	0.0183 (10)

Geometric parameters (Å, º)

Mg1—O1	1.8394 (11)	C23—C24	1.371 (3)
Mg1—O3	1.9627 (10)	C23—H23	0.9500
Mg1—O2	1.9733 (11)	C24—C25	1.369 (3)
Mg1—O4	2.0058 (12)	C24—H24	0.9500
Mg1—Mg2	2.9545 (4)	C25—C26	1.384 (2)
Mg2—O2^i	1.9451 (10)	C25—H25	0.9500
Mg2—O2	1.9451 (10)	C26—H26	0.9500
Mg2—O3	1.9561 (10)	C27—H27A	0.9800
Mg2—O3^i	1.9561 (10)	C27—H27B	0.9800
Mg2—Mg1^i	2.9544 (4)	C27—H27C	0.9800
O1—C11	1.3360 (16)	O3—C31A	1.331 (2)
C11—C12	1.419 (2)	O3—C31B	1.376 (2)
C11—C16	1.423 (2)	C31A—C32A	1.3900
C12—C13	1.400 (2)	C31A—C36A	1.3900
C12—C17	1.536 (2)	C32A—C33A	1.3900
C13—C14	1.383 (2)	C32A—C37A	1.479 (6)
C13—H13	0.9500	C33A—C34A	1.3900
C14—C15	1.378 (2)	C33A—H33A	0.9500
C14—C19	1.517 (2)	C34A—C35A	1.3900
C15—C16	1.395 (2)	C34A—H34A	0.9500
C15—H15	0.9500	C35A—C36A	1.3900
C16—C18	1.538 (2)	C35A—H35A	0.9500
C17—C2	1.535 (3)	C36A—H36A	0.9500
C17—C3	1.541 (3)	C37A—H37A	0.9800
C17—C1	1.544 (3)	C37A—H37B	0.9800
C18—C5	1.531 (3)	C37A—H37C	0.9800
C18—C6	1.532 (3)	C31B—C32B	1.3900
C18—C4	1.541 (3)	C31B—C36B	1.3900
C19—H19A	0.9800	C32B—C33B	1.3900
C19—H19B	0.9800	C32B—C37B	1.472 (6)
C19—H19C	0.9800	C33B—C34B	1.3900
C1—H1A	0.9800	C33B—H33B	0.9500
C1—H1B	0.9800	C34B—C35B	1.3900
C1—H1C	0.9800	C34B—H34B	0.9500
C2—H2A	0.9800	C35B—C36B	1.3900
C2—H2B	0.9800	C35B—H35B	0.9500
C2—H2C	0.9800	C36B—H36B	0.9500
C3—H3A	0.9800	C37B—H37D	0.9800
C3—H3B	0.9800	C37B—H37E	0.9800
C3—H3C	0.9800	C37B—H37F	0.9800
C4—H4A	0.9800	O4—C44	1.438 (2)
C4—H4B	0.9800	O4—C41	1.4502 (18)
C4—H4C	0.9800	C41—C42	1.480 (3)
C5—H5A	0.9800	C41—H41A	0.9900
C5—H5B	0.9800	C41—H41B	0.9900
C5—H5C	0.9800	C42—C43	1.451 (3)
C6—H6A	0.9800	C42—H42A	0.9900
C6—H6B	0.9800	C42—H42B	0.9900
C6—H6C	0.9800	C43—C44	1.477 (3)
O2—C21	1.3634 (17)	C43—H43A	0.9900
C21—C22	1.391 (2)	C43—H43B	0.9900
C21—C26	1.393 (2)	C44—H44A	0.9900
C22—C23	1.398 (3)	C44—H44B	0.9900
C22—C27	1.496 (3)
O1—Mg1—O3	129.09 (5)	C22—C21—C26	120.42 (15)
O1—Mg1—O2	127.35 (5)	C21—C22—C23	117.39 (17)
O3—Mg1—O2	81.57 (4)	C21—C22—C27	120.47 (16)
O1—Mg1—O4	105.79 (5)	C23—C22—C27	122.14 (18)
O3—Mg1—O4	106.50 (5)	C24—C23—C22	122.14 (19)
O2—Mg1—O4	102.52 (5)	C24—C23—H23	118.9
O1—Mg1—Mg2	147.20 (4)	C22—C23—H23	118.9
O3—Mg1—Mg2	40.98 (3)	C25—C24—C23	119.90 (17)
O2—Mg1—Mg2	40.70 (3)	C25—C24—H24	120.0
O4—Mg1—Mg2	106.89 (3)	C23—C24—H24	120.0
O2^i—Mg2—O2	127.72 (7)	C24—C25—C26	119.79 (18)
O2^i—Mg2—O3	125.91 (4)	C24—C25—H25	120.1
O2—Mg2—O3	82.46 (4)	C26—C25—H25	120.1
O2^i—Mg2—O3^i	82.46 (4)	C25—C26—C21	120.32 (17)
O2—Mg2—O3^i	125.90 (4)	C25—C26—H26	119.8
O3—Mg2—O3^i	117.80 (7)	C21—C26—H26	119.8
O2^i—Mg2—Mg1^i	41.42 (3)	C22—C27—H27A	109.5
O2—Mg2—Mg1^i	145.26 (4)	C22—C27—H27B	109.5
O3—Mg2—Mg1^i	131.97 (4)	H27A—C27—H27B	109.5
O3^i—Mg2—Mg1^i	41.15 (3)	C22—C27—H27C	109.5
O2^i—Mg2—Mg1	145.26 (3)	H27A—C27—H27C	109.5
O2—Mg2—Mg1	41.42 (3)	H27B—C27—H27C	109.5
O3—Mg2—Mg1	41.15 (3)	C31A—O3—Mg2	123.32 (14)
O3^i—Mg2—Mg1	131.97 (4)	C31B—O3—Mg2	126.09 (16)
Mg1^i—Mg2—Mg1	170.64 (3)	C31A—O3—Mg1	134.11 (14)
C11—O1—Mg1	150.07 (10)	C31B—O3—Mg1	136.03 (17)
O1—C11—C12	120.47 (13)	Mg2—O3—Mg1	97.86 (4)
O1—C11—C16	120.29 (14)	O3—C31A—C32A	123.46 (19)
C12—C11—C16	119.23 (13)	O3—C31A—C36A	116.50 (19)
C13—C12—C11	118.07 (14)	C32A—C31A—C36A	120.0
C13—C12—C17	120.24 (14)	C31A—C32A—C33A	120.0
C11—C12—C17	121.63 (13)	C31A—C32A—C37A	120.8 (3)
C14—C13—C12	123.08 (15)	C33A—C32A—C37A	119.1 (3)
C14—C13—H13	118.5	C34A—C33A—C32A	120.0
C12—C13—H13	118.5	C34A—C33A—H33A	120.0
C15—C14—C13	117.77 (14)	C32A—C33A—H33A	120.0
C15—C14—C19	120.69 (15)	C33A—C34A—C35A	120.0
C13—C14—C19	121.45 (16)	C33A—C34A—H34A	120.0
C14—C15—C16	122.74 (15)	C35A—C34A—H34A	120.0
C14—C15—H15	118.6	C36A—C35A—C34A	120.0
C16—C15—H15	118.6	C36A—C35A—H35A	120.0
C15—C16—C11	118.69 (14)	C34A—C35A—H35A	120.0
C15—C16—C18	119.76 (14)	C35A—C36A—C31A	120.0
C11—C16—C18	121.51 (13)	C35A—C36A—H36A	120.0
C2—C17—C12	110.29 (17)	C31A—C36A—H36A	120.0
C2—C17—C3	110.45 (15)	C32A—C37A—H37A	109.5
C12—C17—C3	111.38 (15)	C32A—C37A—H37B	109.5
C2—C17—C1	106.86 (18)	H37A—C37A—H37B	109.5
C12—C17—C1	111.73 (14)	C32A—C37A—H37C	109.5
C3—C17—C1	105.97 (18)	H37A—C37A—H37C	109.5
C5—C18—C6	111.09 (16)	H37B—C37A—H37C	109.5
C5—C18—C16	109.36 (16)	O3—C31B—C32B	124.3 (2)
C6—C18—C16	111.21 (16)	O3—C31B—C36B	115.6 (2)
C5—C18—C4	106.38 (18)	C32B—C31B—C36B	120.0
C6—C18—C4	106.60 (17)	C31B—C32B—C33B	120.0
C16—C18—C4	112.08 (14)	C31B—C32B—C37B	120.6 (3)
C14—C19—H19A	109.5	C33B—C32B—C37B	119.4 (3)
C14—C19—H19B	109.5	C32B—C33B—C34B	120.0
H19A—C19—H19B	109.5	C32B—C33B—H33B	120.0
C14—C19—H19C	109.5	C34B—C33B—H33B	120.0
H19A—C19—H19C	109.5	C35B—C34B—C33B	120.0
H19B—C19—H19C	109.5	C35B—C34B—H34B	120.0
C17—C1—H1A	109.5	C33B—C34B—H34B	120.0
C17—C1—H1B	109.5	C34B—C35B—C36B	120.0
H1A—C1—H1B	109.5	C34B—C35B—H35B	120.0
C17—C1—H1C	109.5	C36B—C35B—H35B	120.0
H1A—C1—H1C	109.5	C35B—C36B—C31B	120.0
H1B—C1—H1C	109.5	C35B—C36B—H36B	120.0
C17—C2—H2A	109.5	C31B—C36B—H36B	120.0
C17—C2—H2B	109.5	C32B—C37B—H37D	109.5
H2A—C2—H2B	109.5	C32B—C37B—H37E	109.5
C17—C2—H2C	109.5	H37D—C37B—H37E	109.5
H2A—C2—H2C	109.5	C32B—C37B—H37F	109.5
H2B—C2—H2C	109.5	H37D—C37B—H37F	109.5
C17—C3—H3A	109.5	H37E—C37B—H37F	109.5
C17—C3—H3B	109.5	C44—O4—C41	107.61 (13)
H3A—C3—H3B	109.5	C44—O4—Mg1	126.03 (10)
C17—C3—H3C	109.5	C41—O4—Mg1	126.35 (10)
H3A—C3—H3C	109.5	O4—C41—C42	104.72 (16)
H3B—C3—H3C	109.5	O4—C41—H41A	110.8
C18—C4—H4A	109.5	C42—C41—H41A	110.8
C18—C4—H4B	109.5	O4—C41—H41B	110.8
H4A—C4—H4B	109.5	C42—C41—H41B	110.8
C18—C4—H4C	109.5	H41A—C41—H41B	108.9
H4A—C4—H4C	109.5	C43—C42—C41	106.82 (19)
H4B—C4—H4C	109.5	C43—C42—H42A	110.4
C18—C5—H5A	109.5	C41—C42—H42A	110.4
C18—C5—H5B	109.5	C43—C42—H42B	110.4
H5A—C5—H5B	109.5	C41—C42—H42B	110.4
C18—C5—H5C	109.5	H42A—C42—H42B	108.6
H5A—C5—H5C	109.5	C42—C43—C44	107.37 (18)
H5B—C5—H5C	109.5	C42—C43—H43A	110.2
C18—C6—H6A	109.5	C44—C43—H43A	110.2
C18—C6—H6B	109.5	C42—C43—H43B	110.2
H6A—C6—H6B	109.5	C44—C43—H43B	110.2
C18—C6—H6C	109.5	H43A—C43—H43B	108.5
H6A—C6—H6C	109.5	O4—C44—C43	106.26 (16)
H6B—C6—H6C	109.5	O4—C44—H44A	110.5
C21—O2—Mg2	131.91 (9)	C43—C44—H44A	110.5
C21—O2—Mg1	129.97 (8)	O4—C44—H44B	110.5
Mg2—O2—Mg1	97.88 (5)	C43—C44—H44B	110.5
O2—C21—C22	119.66 (15)	H44A—C44—H44B	108.7
O2—C21—C26	119.92 (14)
O3—Mg1—O1—C11	120.6 (2)	C23—C24—C25—C26	0.5 (3)
O2—Mg1—O1—C11	−126.9 (2)	C24—C25—C26—C21	0.7 (2)
O4—Mg1—O1—C11	−7.0 (2)	O2—C21—C26—C25	178.24 (13)
Mg2—Mg1—O1—C11	178.28 (17)	C22—C21—C26—C25	−2.2 (2)
Mg1—O1—C11—C12	−83.4 (2)	C31B—O3—C31A—C32A	4.6 (8)
Mg1—O1—C11—C16	97.5 (2)	Mg2—O3—C31A—C32A	109.80 (19)
O1—C11—C12—C13	174.09 (15)	Mg1—O3—C31A—C32A	−100.3 (2)
C16—C11—C12—C13	−6.7 (2)	C31B—O3—C31A—C36A	−173.1 (10)
O1—C11—C12—C17	−8.5 (2)	Mg2—O3—C31A—C36A	−68.0 (2)
C16—C11—C12—C17	170.66 (15)	Mg1—O3—C31A—C36A	82.0 (2)
C11—C12—C13—C14	1.9 (3)	O3—C31A—C32A—C33A	−177.7 (3)
C17—C12—C13—C14	−175.51 (17)	C36A—C31A—C32A—C33A	0.0
C12—C13—C14—C15	2.6 (3)	O3—C31A—C32A—C37A	6.1 (3)
C12—C13—C14—C19	179.05 (17)	C36A—C31A—C32A—C37A	−176.2 (3)
C13—C14—C15—C16	−2.4 (3)	C31A—C32A—C33A—C34A	0.0
C19—C14—C15—C16	−178.79 (16)	C37A—C32A—C33A—C34A	176.3 (3)
C14—C15—C16—C11	−2.4 (2)	C32A—C33A—C34A—C35A	0.0
C14—C15—C16—C18	175.19 (16)	C33A—C34A—C35A—C36A	0.0
O1—C11—C16—C15	−173.80 (14)	C34A—C35A—C36A—C31A	0.0
C12—C11—C16—C15	7.0 (2)	O3—C31A—C36A—C35A	177.8 (3)
O1—C11—C16—C18	8.6 (2)	C32A—C31A—C36A—C35A	0.0
C12—C11—C16—C18	−170.57 (15)	C31A—O3—C31B—C32B	2.9 (7)
C13—C12—C17—C2	123.46 (18)	Mg2—O3—C31B—C32B	−83.4 (3)
C11—C12—C17—C2	−53.9 (2)	Mg1—O3—C31B—C32B	94.8 (3)
C13—C12—C17—C3	−113.53 (18)	C31A—O3—C31B—C36B	179.6 (10)
C11—C12—C17—C3	69.1 (2)	Mg2—O3—C31B—C36B	93.2 (2)
C13—C12—C17—C1	4.8 (3)	Mg1—O3—C31B—C36B	−88.5 (2)
C11—C12—C17—C1	−172.56 (19)	O3—C31B—C32B—C33B	176.5 (3)
C15—C16—C18—C5	−122.40 (17)	C36B—C31B—C32B—C33B	0.0
C11—C16—C18—C5	55.2 (2)	O3—C31B—C32B—C37B	−6.2 (4)
C15—C16—C18—C6	114.55 (17)	C36B—C31B—C32B—C37B	177.3 (3)
C11—C16—C18—C6	−67.9 (2)	C31B—C32B—C33B—C34B	0.0
C15—C16—C18—C4	−4.7 (3)	C37B—C32B—C33B—C34B	−177.4 (3)
C11—C16—C18—C4	172.90 (18)	C32B—C33B—C34B—C35B	0.0
Mg2—O2—C21—C22	85.69 (17)	C33B—C34B—C35B—C36B	0.0
Mg1—O2—C21—C22	−87.27 (16)	C34B—C35B—C36B—C31B	0.0
Mg2—O2—C21—C26	−94.72 (16)	O3—C31B—C36B—C35B	−176.8 (3)
Mg1—O2—C21—C26	92.32 (16)	C32B—C31B—C36B—C35B	0.0
O2—C21—C22—C23	−178.08 (14)	C44—O4—C41—C42	−27.6 (3)
C26—C21—C22—C23	2.3 (2)	Mg1—O4—C41—C42	151.27 (18)
O2—C21—C22—C27	1.2 (2)	O4—C41—C42—C43	22.3 (3)
C26—C21—C22—C27	−178.40 (15)	C41—C42—C43—C44	−9.0 (4)
C21—C22—C23—C24	−1.1 (3)	C41—O4—C44—C43	22.3 (2)
C27—C22—C23—C24	179.62 (18)	Mg1—O4—C44—C43	−156.66 (15)
C22—C23—C24—C25	−0.3 (3)	C42—C43—C44—O4	−7.9 (3)

Symmetry code: (i) −x+1, y, −z+1/2.

Bis(µ₃-2-aminoethanolato-κ⁴O:O:O,N)tetrakis(µ₂-2-aminoethanolato-κ³O:O,N)bis(2,6-di-tert-butyl-4-methylphenolatoκO)tetramagnesium(II) (III)

Crystal data

[Mg4(C2H6NO)6(C15H23O)2]	F(000) = 976
Mr = 896.37	Dx = 1.201 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 8.9590 (5) Å	Cell parameters from 9368 reflections
b = 20.4643 (11) Å	θ = 2.5–30.4°
c = 13.5552 (7) Å	µ = 0.13 mm^−1
β = 94.3180 (8)°	T = 150 K
V = 2478.2 (2) Å^3	Prism, colourless
Z = 2	0.25 × 0.20 × 0.20 mm

Data collection

Bruker SMART APEXII area-detector diffractometer	6587 independent reflections
Radiation source: fine-focus sealed tube	5354 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
ω scans	θmax = 29.0°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	h = −12→12
Tmin = 0.677, Tmax = 0.746	k = −27→27
27344 measured reflections	l = −18→18

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.038	Hydrogen site location: mixed
wR(F^2) = 0.111	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0643P)^2 + 0.5865P] where P = (Fo^2 + 2Fc^2)/3
6587 reflections	(Δ/σ)max = 0.001
302 parameters	Δρmax = 0.43 e Å^−3
0 restraints	Δρmin = −0.23 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Mg1	0.45995 (4)	0.60324 (2)	0.61443 (3)	0.01705 (10)
Mg2	0.58052 (4)	0.46252 (2)	0.59144 (3)	0.01723 (10)
N1	0.29616 (14)	0.61557 (6)	0.73181 (9)	0.0267 (2)
H11	0.210 (2)	0.6349 (11)	0.7146 (16)	0.055 (6)*
H12	0.336 (2)	0.6415 (9)	0.7769 (13)	0.033 (4)*
O1	0.49767 (10)	0.52186 (4)	0.69127 (6)	0.02202 (18)
C11	0.42814 (18)	0.51599 (7)	0.77957 (10)	0.0310 (3)
H11A	0.4921	0.5360	0.8341	0.037*
H11B	0.4153	0.4692	0.7953	0.037*
C12	0.27603 (17)	0.54950 (7)	0.77115 (11)	0.0324 (3)
H12A	0.2049	0.5245	0.7263	0.039*
H12B	0.2353	0.5519	0.8369	0.039*
N2	0.53414 (13)	0.62631 (6)	0.34591 (9)	0.0243 (2)
H21	0.560 (2)	0.6231 (10)	0.2909 (17)	0.054 (6)*
H22	0.481 (2)	0.6615 (9)	0.3461 (13)	0.034 (4)*
O2	0.59618 (9)	0.55267 (4)	0.51850 (6)	0.01680 (17)
C21	0.71643 (13)	0.57643 (6)	0.46717 (9)	0.0204 (2)
H21A	0.7459	0.5432	0.4193	0.024*
H21B	0.8037	0.5851	0.5145	0.024*
C22	0.67017 (14)	0.63891 (6)	0.41277 (10)	0.0241 (3)
H22A	0.6492	0.6734	0.4610	0.029*
H22B	0.7525	0.6542	0.3738	0.029*
N3	0.19228 (14)	0.54470 (7)	0.33047 (10)	0.0315 (3)
H31	0.187 (2)	0.5474 (10)	0.2651 (18)	0.056 (6)*
H32	0.148 (2)	0.5113 (10)	0.3463 (15)	0.046 (6)*
O3	0.30886 (9)	0.59252 (4)	0.50414 (6)	0.02061 (18)
C31	0.15552 (14)	0.59986 (7)	0.48523 (10)	0.0254 (3)
H31A	0.1229	0.6414	0.5144	0.030*
H31B	0.1029	0.5635	0.5161	0.030*
C32	0.11557 (15)	0.60019 (7)	0.37440 (11)	0.0295 (3)
H32A	0.0059	0.5960	0.3606	0.035*
H32B	0.1478	0.6418	0.3454	0.035*
O4	0.54351 (9)	0.68721 (4)	0.64619 (7)	0.02197 (18)
C1	0.61964 (13)	0.74211 (6)	0.64825 (9)	0.0194 (2)
C2	0.76577 (13)	0.74621 (6)	0.69913 (9)	0.0205 (2)
C3	0.85212 (14)	0.80184 (6)	0.68545 (9)	0.0240 (3)
H3	0.9510	0.8034	0.7161	0.029*
C4	0.80010 (15)	0.85489 (6)	0.62914 (10)	0.0255 (3)
C5	0.65201 (15)	0.85355 (6)	0.59087 (9)	0.0233 (2)
H5	0.6125	0.8910	0.5567	0.028*
C6	0.55844 (13)	0.79970 (6)	0.60024 (9)	0.0204 (2)
C7	0.82814 (14)	0.69095 (6)	0.76701 (9)	0.0224 (2)
C8	0.39338 (14)	0.80288 (6)	0.55940 (10)	0.0233 (2)
C9	0.90187 (18)	0.91159 (8)	0.61006 (13)	0.0372 (3)
H9A	0.8480	0.9431	0.5661	0.056*
H9B	0.9899	0.8956	0.5788	0.056*
H9C	0.9338	0.9329	0.6729	0.056*
C41	0.86319 (16)	0.63006 (7)	0.70719 (11)	0.0307 (3)
H41A	0.9081	0.5966	0.7518	0.046*
H41B	0.9334	0.6415	0.6579	0.046*
H41C	0.7705	0.6131	0.6736	0.046*
C42	0.71638 (16)	0.67297 (7)	0.84327 (10)	0.0304 (3)
H42A	0.7546	0.6355	0.8824	0.046*
H42B	0.6197	0.6617	0.8088	0.046*
H42C	0.7036	0.7103	0.8871	0.046*
C43	0.97355 (15)	0.71069 (7)	0.82685 (11)	0.0307 (3)
H43A	1.0055	0.6753	0.8723	0.046*
H43B	0.9562	0.7504	0.8648	0.046*
H43C	1.0518	0.7190	0.7816	0.046*
C44	0.28983 (15)	0.78362 (8)	0.63977 (11)	0.0319 (3)
H44A	0.1864	0.7810	0.6108	0.048*
H44B	0.2966	0.8165	0.6924	0.048*
H44C	0.3204	0.7410	0.6674	0.048*
C45	0.36468 (15)	0.75779 (7)	0.46914 (10)	0.0270 (3)
H45A	0.2605	0.7624	0.4425	0.041*
H45B	0.3837	0.7124	0.4892	0.041*
H45C	0.4317	0.7699	0.4182	0.041*
C46	0.34748 (17)	0.87229 (7)	0.52507 (12)	0.0339 (3)
H46A	0.2412	0.8726	0.5018	0.051*
H46B	0.4077	0.8856	0.4711	0.051*
H46C	0.3644	0.9028	0.5805	0.051*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mg1	0.01573 (19)	0.01765 (19)	0.01775 (19)	0.00022 (14)	0.00121 (14)	−0.00027 (14)
Mg2	0.01683 (19)	0.01830 (19)	0.01633 (19)	0.00166 (14)	−0.00017 (14)	0.00057 (14)
N1	0.0246 (6)	0.0283 (6)	0.0279 (6)	0.0017 (5)	0.0066 (4)	−0.0023 (5)
O1	0.0274 (5)	0.0214 (4)	0.0178 (4)	0.0028 (3)	0.0052 (3)	0.0016 (3)
C11	0.0481 (8)	0.0254 (6)	0.0209 (6)	0.0047 (6)	0.0123 (6)	0.0030 (5)
C12	0.0378 (8)	0.0306 (7)	0.0310 (7)	−0.0063 (6)	0.0168 (6)	−0.0042 (5)
N2	0.0299 (6)	0.0235 (5)	0.0197 (5)	0.0035 (4)	0.0026 (4)	0.0032 (4)
O2	0.0145 (4)	0.0185 (4)	0.0177 (4)	−0.0004 (3)	0.0027 (3)	0.0014 (3)
C21	0.0159 (5)	0.0251 (6)	0.0205 (5)	−0.0015 (4)	0.0037 (4)	−0.0001 (4)
C22	0.0254 (6)	0.0225 (6)	0.0249 (6)	−0.0033 (5)	0.0058 (5)	0.0016 (5)
N3	0.0275 (6)	0.0349 (7)	0.0305 (6)	0.0083 (5)	−0.0090 (5)	−0.0067 (5)
O3	0.0147 (4)	0.0243 (4)	0.0226 (4)	0.0026 (3)	−0.0004 (3)	−0.0025 (3)
C31	0.0155 (6)	0.0316 (7)	0.0290 (6)	0.0031 (5)	0.0012 (5)	−0.0001 (5)
C32	0.0205 (6)	0.0355 (7)	0.0317 (7)	0.0096 (5)	−0.0041 (5)	−0.0001 (6)
O4	0.0192 (4)	0.0197 (4)	0.0263 (4)	−0.0021 (3)	−0.0024 (3)	−0.0016 (3)
C1	0.0177 (5)	0.0211 (5)	0.0193 (5)	−0.0004 (4)	0.0009 (4)	−0.0040 (4)
C2	0.0184 (5)	0.0237 (6)	0.0193 (5)	0.0005 (4)	0.0012 (4)	−0.0045 (4)
C3	0.0185 (5)	0.0303 (6)	0.0231 (6)	−0.0034 (5)	0.0010 (4)	−0.0060 (5)
C4	0.0269 (6)	0.0249 (6)	0.0253 (6)	−0.0049 (5)	0.0051 (5)	−0.0049 (5)
C5	0.0275 (6)	0.0221 (6)	0.0207 (6)	−0.0005 (5)	0.0035 (5)	−0.0025 (4)
C6	0.0201 (5)	0.0225 (6)	0.0187 (5)	0.0006 (4)	0.0014 (4)	−0.0026 (4)
C7	0.0185 (5)	0.0255 (6)	0.0226 (6)	0.0017 (5)	−0.0024 (4)	−0.0040 (5)
C8	0.0196 (6)	0.0223 (6)	0.0275 (6)	0.0027 (4)	−0.0017 (5)	0.0007 (5)
C9	0.0337 (8)	0.0326 (7)	0.0457 (9)	−0.0100 (6)	0.0052 (6)	−0.0015 (6)
C41	0.0258 (6)	0.0304 (7)	0.0350 (7)	0.0073 (5)	−0.0050 (5)	−0.0082 (6)
C42	0.0304 (7)	0.0366 (7)	0.0240 (6)	0.0018 (6)	0.0006 (5)	0.0043 (5)
C43	0.0243 (6)	0.0342 (7)	0.0319 (7)	0.0031 (5)	−0.0099 (5)	−0.0048 (6)
C44	0.0218 (6)	0.0393 (8)	0.0354 (7)	0.0055 (6)	0.0070 (5)	0.0034 (6)
C45	0.0250 (6)	0.0290 (6)	0.0259 (6)	0.0005 (5)	−0.0054 (5)	−0.0001 (5)
C46	0.0300 (7)	0.0270 (7)	0.0437 (8)	0.0057 (6)	−0.0046 (6)	0.0035 (6)

Geometric parameters (Å, º)

Mg1—O4	1.9105 (9)	C32—H32A	0.9900
Mg1—O3	1.9521 (9)	C32—H32B	0.9900
Mg1—O1	1.9798 (9)	O4—C1	1.3136 (14)
Mg1—O2	2.1191 (9)	C1—C6	1.4351 (17)
Mg1—N1	2.2583 (12)	C1—C2	1.4355 (16)
Mg2—O1	2.0020 (9)	C2—C3	1.3966 (18)
Mg2—O3^i	2.0304 (9)	C2—C7	1.5363 (17)
Mg2—O2	2.1028 (9)	C3—C4	1.3874 (19)
Mg2—O2^i	2.1138 (9)	C3—H3	0.9500
Mg2—N3^i	2.2273 (13)	C4—C5	1.3880 (19)
Mg2—N2^i	2.2831 (12)	C4—C9	1.5099 (19)
N1—C12	1.4697 (19)	C5—C6	1.3961 (17)
N1—H11	0.88 (2)	C5—H5	0.9500
N1—H12	0.866 (19)	C6—C8	1.5408 (17)
O1—C11	1.3955 (15)	C7—C41	1.5321 (18)
C11—C12	1.522 (2)	C7—C43	1.5359 (17)
C11—H11A	0.9900	C7—C42	1.5370 (19)
C11—H11B	0.9900	C8—C44	1.5347 (19)
C12—H12A	0.9900	C8—C45	1.5387 (18)
C12—H12B	0.9900	C8—C46	1.5408 (18)
N2—C22	1.4854 (17)	C9—H9A	0.9800
N2—Mg2^i	2.2830 (12)	C9—H9B	0.9800
N2—H21	0.80 (2)	C9—H9C	0.9800
N2—H22	0.864 (19)	C41—H41A	0.9800
O2—C21	1.4121 (14)	C41—H41B	0.9800
O2—Mg2^i	2.1138 (9)	C41—H41C	0.9800
C21—C22	1.5180 (17)	C42—H42A	0.9800
C21—Mg2^i	2.8330 (12)	C42—H42B	0.9800
C21—H21A	0.9900	C42—H42C	0.9800
C21—H21B	0.9900	C43—H43A	0.9800
C22—H22A	0.9900	C43—H43B	0.9800
C22—H22B	0.9900	C43—H43C	0.9800
N3—C32	1.4758 (18)	C44—H44A	0.9800
N3—Mg2^i	2.2273 (13)	C44—H44B	0.9800
N3—H31	0.89 (2)	C44—H44C	0.9800
N3—H32	0.83 (2)	C45—H45A	0.9800
O3—C31	1.3866 (14)	C45—H45B	0.9800
O3—Mg2^i	2.0303 (9)	C45—H45C	0.9800
C31—C32	1.5180 (19)	C46—H46A	0.9800
C31—H31A	0.9900	C46—H46B	0.9800
C31—H31B	0.9900	C46—H46C	0.9800
O4—Mg1—O3	120.73 (4)	O3—C31—H31A	109.7
O4—Mg1—O1	126.12 (4)	C32—C31—H31A	109.7
O3—Mg1—O1	112.92 (4)	O3—C31—H31B	109.7
O4—Mg1—O2	110.09 (4)	C32—C31—H31B	109.7
O3—Mg1—O2	82.72 (4)	H31A—C31—H31B	108.2
O1—Mg1—O2	80.13 (4)	N3—C32—C31	108.28 (11)
O4—Mg1—N1	90.29 (4)	N3—C32—H32A	110.0
O3—Mg1—N1	95.87 (4)	C31—C32—H32A	110.0
O1—Mg1—N1	79.49 (4)	N3—C32—H32B	110.0
O2—Mg1—N1	157.18 (4)	C31—C32—H32B	110.0
O1—Mg2—O3^i	172.48 (4)	H32A—C32—H32B	108.4
O1—Mg2—O2	80.03 (4)	C1—O4—Mg1	165.50 (8)
O3^i—Mg2—O2	97.68 (4)	O4—C1—C6	120.85 (10)
O1—Mg2—O2^i	105.64 (4)	O4—C1—C2	120.90 (11)
O3^i—Mg2—O2^i	81.04 (4)	C6—C1—C2	118.26 (11)
O2—Mg2—O2^i	82.56 (4)	C3—C2—C1	118.56 (11)
O1—Mg2—N3^i	95.22 (5)	C3—C2—C7	119.96 (11)
O3^i—Mg2—N3^i	78.11 (4)	C1—C2—C7	121.48 (11)
O2—Mg2—N3^i	101.00 (5)	C4—C3—C2	122.99 (12)
O2^i—Mg2—N3^i	159.13 (4)	C4—C3—H3	118.5
O1—Mg2—N2^i	91.80 (4)	C2—C3—H3	118.5
O3^i—Mg2—N2^i	92.89 (4)	C3—C4—C5	117.52 (12)
O2—Mg2—N2^i	157.11 (4)	C3—C4—C9	120.89 (13)
O2^i—Mg2—N2^i	79.11 (4)	C5—C4—C9	121.59 (13)
N3^i—Mg2—N2^i	101.02 (5)	C4—C5—C6	123.04 (12)
C12—N1—Mg1	104.89 (8)	C4—C5—H5	118.5
C12—N1—H11	112.3 (14)	C6—C5—H5	118.5
Mg1—N1—H11	117.7 (14)	C5—C6—C1	118.55 (11)
C12—N1—H12	111.3 (12)	C5—C6—C8	120.04 (11)
Mg1—N1—H12	108.1 (12)	C1—C6—C8	121.42 (11)
H11—N1—H12	102.6 (18)	C41—C7—C43	107.09 (11)
C11—O1—Mg1	117.00 (8)	C41—C7—C2	111.19 (10)
C11—O1—Mg2	137.71 (8)	C43—C7—C2	112.24 (11)
Mg1—O1—Mg2	102.23 (4)	C41—C7—C42	109.33 (11)
O1—C11—C12	110.60 (11)	C43—C7—C42	106.11 (11)
O1—C11—H11A	109.5	C2—C7—C42	110.68 (10)
C12—C11—H11A	109.5	C44—C8—C45	109.67 (11)
O1—C11—H11B	109.5	C44—C8—C6	110.44 (10)
C12—C11—H11B	109.5	C45—C8—C6	111.02 (10)
H11A—C11—H11B	108.1	C44—C8—C46	106.82 (11)
N1—C12—C11	107.94 (11)	C45—C8—C46	106.73 (11)
N1—C12—H12A	110.1	C6—C8—C46	112.00 (11)
C11—C12—H12A	110.1	C4—C9—H9A	109.5
N1—C12—H12B	110.1	C4—C9—H9B	109.5
C11—C12—H12B	110.1	H9A—C9—H9B	109.5
H12A—C12—H12B	108.4	C4—C9—H9C	109.5
C22—N2—Mg2^i	106.43 (7)	H9A—C9—H9C	109.5
C22—N2—H21	107.6 (16)	H9B—C9—H9C	109.5
Mg2^i—N2—H21	116.8 (15)	C7—C41—H41A	109.5
C22—N2—H22	106.4 (12)	C7—C41—H41B	109.5
Mg2^i—N2—H22	113.4 (12)	H41A—C41—H41B	109.5
H21—N2—H22	105.7 (19)	C7—C41—H41C	109.5
C21—O2—Mg2	127.89 (7)	H41A—C41—H41C	109.5
C21—O2—Mg2^i	105.18 (7)	H41B—C41—H41C	109.5
Mg2—O2—Mg2^i	97.44 (4)	C7—C42—H42A	109.5
C21—O2—Mg1	129.06 (7)	C7—C42—H42B	109.5
Mg2—O2—Mg1	94.48 (3)	H42A—C42—H42B	109.5
Mg2^i—O2—Mg1	93.96 (3)	C7—C42—H42C	109.5
O2—C21—C22	109.81 (10)	H42A—C42—H42C	109.5
O2—C21—Mg2^i	46.06 (5)	H42B—C42—H42C	109.5
C22—C21—Mg2^i	83.37 (7)	C7—C43—H43A	109.5
O2—C21—H21A	109.7	C7—C43—H43B	109.5
C22—C21—H21A	109.7	H43A—C43—H43B	109.5
Mg2^i—C21—H21A	85.1	C7—C43—H43C	109.5
O2—C21—H21B	109.7	H43A—C43—H43C	109.5
C22—C21—H21B	109.7	H43B—C43—H43C	109.5
Mg2^i—C21—H21B	155.8	C8—C44—H44A	109.5
H21A—C21—H21B	108.2	C8—C44—H44B	109.5
N2—C22—C21	109.36 (10)	H44A—C44—H44B	109.5
N2—C22—H22A	109.8	C8—C44—H44C	109.5
C21—C22—H22A	109.8	H44A—C44—H44C	109.5
N2—C22—H22B	109.8	H44B—C44—H44C	109.5
C21—C22—H22B	109.8	C8—C45—H45A	109.5
H22A—C22—H22B	108.2	C8—C45—H45B	109.5
C32—N3—Mg2^i	107.21 (8)	H45A—C45—H45B	109.5
C32—N3—H31	111.4 (14)	C8—C45—H45C	109.5
Mg2^i—N3—H31	117.2 (14)	H45A—C45—H45C	109.5
C32—N3—H32	106.5 (14)	H45B—C45—H45C	109.5
Mg2^i—N3—H32	105.2 (14)	C8—C46—H46A	109.5
H31—N3—H32	109 (2)	C8—C46—H46B	109.5
C31—O3—Mg1	138.56 (8)	H46A—C46—H46B	109.5
C31—O3—Mg2^i	117.81 (8)	C8—C46—H46C	109.5
Mg1—O3—Mg2^i	101.97 (4)	H46A—C46—H46C	109.5
O3—C31—C32	109.87 (11)	H46B—C46—H46C	109.5
Mg1—O1—C11—C12	33.61 (14)	C7—C2—C3—C4	−176.76 (12)
Mg2—O1—C11—C12	−122.41 (12)	C2—C3—C4—C5	4.47 (19)
Mg1—N1—C12—C11	40.21 (12)	C2—C3—C4—C9	−175.17 (13)
O1—C11—C12—N1	−49.90 (15)	C3—C4—C5—C6	−5.02 (19)
Mg2—O2—C21—C22	171.24 (7)	C9—C4—C5—C6	174.62 (13)
Mg2^i—O2—C21—C22	58.83 (10)	C4—C5—C6—C1	−2.51 (18)
Mg1—O2—C21—C22	−49.38 (13)	C4—C5—C6—C8	177.55 (11)
Mg2—O2—C21—Mg2^i	112.42 (9)	O4—C1—C6—C5	−169.92 (11)
Mg1—O2—C21—Mg2^i	−108.20 (9)	C2—C1—C6—C5	10.51 (17)
Mg2^i—N2—C22—C21	23.31 (11)	O4—C1—C6—C8	10.03 (17)
O2—C21—C22—N2	−56.27 (13)	C2—C1—C6—C8	−169.55 (11)
Mg2^i—C21—C22—N2	−17.94 (9)	C3—C2—C7—C41	−109.87 (13)
Mg1—O3—C31—C32	164.87 (9)	C1—C2—C7—C41	69.78 (15)
Mg2^i—O3—C31—C32	−33.00 (13)	C3—C2—C7—C43	10.07 (16)
Mg2^i—N3—C32—C31	−39.25 (14)	C1—C2—C7—C43	−170.27 (11)
O3—C31—C32—N3	47.75 (15)	C3—C2—C7—C42	128.41 (12)
Mg1—O4—C1—C6	92.7 (3)	C1—C2—C7—C42	−51.94 (15)
Mg1—O4—C1—C2	−87.7 (3)	C5—C6—C8—C44	−127.31 (13)
O4—C1—C2—C3	169.41 (11)	C1—C6—C8—C44	52.74 (15)
C6—C1—C2—C3	−11.02 (17)	C5—C6—C8—C45	110.81 (13)
O4—C1—C2—C7	−10.25 (17)	C1—C6—C8—C45	−69.14 (15)
C6—C1—C2—C7	169.33 (11)	C5—C6—C8—C46	−8.39 (17)
C1—C2—C3—C4	3.57 (18)	C1—C6—C8—C46	171.66 (12)

Symmetry code: (i) −x+1, −y+1, −z+1.