Sodium tris­(acetyl­acetonato-κ²O,O′)­manganese(II)

In the title compound, Na[Mn(C₅H₇O₂)₃], the manganese(II) ions are each coordinated by six O atoms from three different acetylacetonate ligands in a trigonal prismatic geometry. The octahedrally coordinated Na cations are sandwiched between two adjacent [Mn(acac)₃]⁻ units (acac is acetyl­acetonate). The three crystallographically distinct Mn cations are each located on a crystallographic threefold rotation axis. Two Na cations are also located on special positions with site symmetry 3 and two further Na cations occupy special positions with site symmetry .

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.039
• wR factor = 0.113
• Data-to-parameter ratio = 16.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT127_ALERT_1_C Implicit Hall Symbol  Inconsistent with Explicit    -P 2ac 2ab
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         18

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

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

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Computing details

Data collection: SMART (2000); cell refinement: SMART; data reduction: SAINT (2000); program(s) used to solve structure: SHELXTL (Sheldrick, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

sodium tris(acetylacetonato-κ²O,O')manganese(II)

Crystal data

Na[Mn(C5H7O2)3]	Dx = 1.390 Mg m^−3
Mr = 375.25	Mo Kα radiation, λ = 0.71073 Å
Cubic, Pa3	Cell parameters from 9160 reflections
Hall symbol: -P 2ac 2ab	θ = 2.3–26.0°
a = 22.075 (3) Å	µ = 0.79 mm^−1
V = 10757 (3) Å^3	T = 100 K
Z = 24	Prism, colorless
F(000) = 4680	0.36 × 0.34 × 0.24 mm

Data collection

Bruker APEX diffractometer	3539 independent reflections
Radiation source: fine-focus sealed tube	3129 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.043
ω scans	θmax = 26.0°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 2002)	h = −27→27
Tmin = 0.760, Tmax = 0.834	k = −27→26
80828 measured reflections	l = −27→27

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)] = 0.039	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.113	H-atom parameters constrained
S = 1.01	w = 1/[σ^2(Fo^2) + (0.07P)^2 + 6.8P] where P = (Fo^2 + 2Fc^2)/3
3539 reflections	(Δ/σ)max = 0.003
209 parameters	Δρmax = 0.36 e Å^−3
0 restraints	Δρmin = −0.26 e Å^−3

Special details

Experimental. A solution of Mn(acac)3 dissolved in methanol was added to a methanol solution of NaBH4. After stirring the reaction mixture for an hour, the solution was concentrate by removing the solvent in vacuo. Slow ether diffusion into the above solution resulted in a colorless cubic-shaped crystals of Na[Mn(acac)3].

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Mn1A	0.582037 (11)	0.082037 (11)	0.417963 (11)	0.01803 (14)
O1A	0.53696 (6)	0.10235 (6)	0.50184 (5)	0.0238 (3)
O2A	0.58018 (6)	0.17840 (6)	0.40456 (6)	0.0260 (3)
C1A	0.47859 (10)	0.15005 (10)	0.57717 (9)	0.0322 (5)
H1A1	0.5066	0.1452	0.6113	0.048*
H1A2	0.4504	0.1158	0.5762	0.048*
H1A3	0.4558	0.1878	0.5821	0.048*
C2A	0.51433 (8)	0.15221 (8)	0.51876 (8)	0.0230 (4)
C3A	0.52054 (9)	0.20744 (8)	0.48902 (9)	0.0260 (4)
H3A	0.5020	0.2416	0.5075	0.031*
C4A	0.55143 (8)	0.21774 (8)	0.43455 (8)	0.0234 (4)
C5A	0.54917 (10)	0.28066 (9)	0.40814 (10)	0.0320 (4)
H5A1	0.5108	0.2862	0.3865	0.048*
H5A2	0.5830	0.2861	0.3799	0.048*
H5A3	0.5522	0.3106	0.4408	0.048*
Mn1B	0.750490 (11)	0.250490 (11)	0.249510 (11)	0.02747 (16)
O1B	0.72867 (7)	0.25535 (7)	0.34450 (7)	0.0394 (4)
O2B	0.79393 (7)	0.33667 (6)	0.26797 (6)	0.0330 (3)
C1B	0.71473 (11)	0.28448 (14)	0.44580 (10)	0.0489 (6)
H1B1	0.6704	0.2869	0.4450	0.073*
H1B2	0.7307	0.3150	0.4738	0.073*
H1B3	0.7271	0.2441	0.4593	0.073*
C2B	0.73922 (9)	0.29624 (10)	0.38311 (9)	0.0331 (5)
C3B	0.77084 (9)	0.34964 (10)	0.37205 (9)	0.0336 (5)
H3B	0.7757	0.3766	0.4052	0.040*
C4B	0.79616 (9)	0.36732 (9)	0.31653 (9)	0.0293 (4)
C5B	0.82849 (11)	0.42743 (9)	0.31408 (11)	0.0395 (5)
H5B1	0.8708	0.4219	0.3263	0.059*
H5B2	0.8087	0.4560	0.3417	0.059*
H5B3	0.8270	0.4434	0.2727	0.059*
Mn1C	0.918669 (12)	0.418669 (12)	0.081331 (12)	0.02122 (15)
O1C	0.82916 (6)	0.43430 (6)	0.11623 (6)	0.0280 (3)
O2C	0.91505 (6)	0.51459 (6)	0.06328 (6)	0.0313 (3)
C1C	0.73584 (10)	0.47693 (11)	0.14502 (10)	0.0403 (5)
H1C1	0.7080	0.4625	0.1136	0.060*
H1C2	0.7223	0.5166	0.1597	0.060*
H1C3	0.7365	0.4480	0.1787	0.060*
C2C	0.79840 (8)	0.48275 (9)	0.11873 (8)	0.0276 (4)
C3C	0.81726 (9)	0.53958 (9)	0.09821 (9)	0.0309 (4)
H3C	0.7893	0.5720	0.1020	0.037*
C4C	0.87355 (9)	0.55292 (9)	0.07273 (8)	0.0296 (4)
C5C	0.88805 (12)	0.61788 (10)	0.05639 (11)	0.0448 (6)
H5C1	0.9063	0.6382	0.0913	0.067*
H5C2	0.8507	0.6390	0.0449	0.067*
H5C3	0.9165	0.6185	0.0223	0.067*
Na1	0.5000	0.0000	0.5000	0.0224 (4)
Na2	0.66590 (3)	0.16590 (3)	0.33410 (3)	0.0316 (3)
Na3	0.83456 (3)	0.33456 (3)	0.16544 (3)	0.0291 (3)
Na4	1.0000	0.5000	0.0000	0.0348 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mn1A	0.01803 (14)	0.01803 (14)	0.01803 (14)	−0.00285 (9)	0.00285 (9)	0.00285 (9)
O1A	0.0291 (7)	0.0213 (6)	0.0211 (6)	−0.0028 (5)	0.0051 (5)	0.0002 (5)
O2A	0.0283 (7)	0.0211 (6)	0.0286 (7)	−0.0026 (5)	0.0060 (5)	0.0043 (5)
C1A	0.0364 (11)	0.0356 (11)	0.0245 (10)	0.0038 (9)	0.0062 (8)	−0.0045 (8)
C2A	0.0205 (8)	0.0282 (10)	0.0202 (9)	−0.0002 (7)	−0.0029 (7)	−0.0031 (7)
C3A	0.0258 (9)	0.0230 (9)	0.0292 (10)	0.0047 (7)	−0.0022 (7)	−0.0045 (7)
C4A	0.0204 (9)	0.0204 (9)	0.0295 (9)	−0.0027 (7)	−0.0069 (7)	0.0012 (7)
C5A	0.0351 (11)	0.0217 (9)	0.0394 (11)	−0.0016 (8)	−0.0056 (9)	0.0044 (8)
Mn1B	0.02747 (16)	0.02747 (16)	0.02747 (16)	−0.00618 (11)	0.00618 (11)	0.00618 (11)
O1B	0.0466 (9)	0.0414 (9)	0.0301 (8)	−0.0146 (7)	0.0090 (7)	0.0055 (6)
O2B	0.0395 (8)	0.0302 (7)	0.0294 (7)	−0.0079 (6)	0.0058 (6)	0.0025 (6)
C1B	0.0368 (12)	0.0821 (19)	0.0280 (11)	−0.0140 (12)	0.0016 (9)	0.0050 (11)
C2B	0.0250 (10)	0.0483 (13)	0.0258 (10)	−0.0010 (9)	−0.0009 (8)	0.0050 (9)
C3B	0.0315 (10)	0.0397 (12)	0.0295 (10)	−0.0003 (9)	−0.0020 (8)	−0.0031 (9)
C4B	0.0258 (10)	0.0285 (10)	0.0334 (10)	0.0019 (8)	−0.0012 (8)	0.0022 (8)
C5B	0.0430 (12)	0.0283 (10)	0.0472 (13)	−0.0034 (9)	−0.0003 (10)	0.0015 (9)
Mn1C	0.02122 (15)	0.02122 (15)	0.02122 (15)	−0.00248 (10)	0.00248 (10)	0.00248 (10)
O1C	0.0246 (7)	0.0304 (7)	0.0290 (7)	0.0018 (5)	0.0038 (5)	0.0027 (6)
O2C	0.0364 (8)	0.0251 (7)	0.0323 (8)	0.0002 (6)	0.0063 (6)	0.0051 (6)
C1C	0.0280 (11)	0.0531 (14)	0.0399 (12)	0.0059 (10)	0.0027 (9)	−0.0105 (10)
C2C	0.0237 (9)	0.0382 (11)	0.0210 (9)	0.0051 (8)	−0.0052 (7)	−0.0075 (8)
C3C	0.0313 (10)	0.0301 (10)	0.0312 (10)	0.0088 (8)	−0.0111 (8)	−0.0063 (8)
C4C	0.0386 (11)	0.0274 (10)	0.0228 (9)	0.0034 (8)	−0.0101 (8)	0.0014 (7)
C5C	0.0593 (15)	0.0286 (11)	0.0465 (13)	0.0011 (10)	−0.0090 (11)	0.0056 (10)
Na1	0.0224 (4)	0.0224 (4)	0.0224 (4)	−0.0043 (4)	0.0043 (4)	0.0043 (4)
Na2	0.0316 (3)	0.0316 (3)	0.0316 (3)	−0.0081 (3)	0.0081 (3)	0.0081 (3)
Na3	0.0291 (3)	0.0291 (3)	0.0291 (3)	−0.0056 (3)	0.0056 (3)	0.0056 (3)
Na4	0.0348 (5)	0.0348 (5)	0.0348 (5)	−0.0086 (4)	0.0086 (4)	0.0086 (4)

Geometric parameters (Å, º)

Mn1A—O2A^i	2.1481 (13)	Na4—O2C^i	2.3606 (14)
Mn1A—O2A	2.1481 (13)	O1A—C2A	1.265 (2)
Mn1A—O2A^ii	2.1482 (13)	O2A—C4A	1.263 (2)
Mn1A—O1A	2.1493 (13)	C1A—C2A	1.512 (3)
Mn1A—O1A^ii	2.1493 (13)	C1A—H1A1	0.9799
Mn1A—O1A^i	2.1493 (13)	C1A—H1A2	0.9801
Mn1B—O1B^ii	2.1541 (15)	C1A—H1A3	0.9801
Mn1B—O1B^i	2.1542 (15)	C2A—C3A	1.392 (3)
Mn1B—O1B	2.1542 (15)	C3A—C4A	1.401 (3)
Mn1B—O2B^ii	2.1690 (14)	C3A—H3A	0.9500
Mn1B—O2B^i	2.1690 (14)	C4A—C5A	1.507 (3)
Mn1B—O2B	2.1690 (14)	C5A—H5A1	0.9800
Mn1C—O1C^ii	2.1485 (14)	C5A—H5A2	0.9801
Mn1C—O1C^i	2.1485 (14)	C5A—H5A3	0.9800
Mn1C—O1C	2.1486 (14)	O1B—C2B	1.263 (3)
Mn1C—O2C	2.1562 (14)	O2B—C4B	1.269 (2)
Mn1C—O2C^ii	2.1562 (14)	C1B—C2B	1.508 (3)
Mn1C—O2C^i	2.1562 (14)	C1B—H1B1	0.9801
Na1—O1A	2.4026 (13)	C1B—H1B2	0.9799
Na1—O1A^iii	2.4025 (13)	C1B—H1B3	0.9799
Na1—O1A^i	2.4025 (13)	C2B—C3B	1.392 (3)
Na1—O1A^iv	2.4025 (13)	C3B—C4B	1.402 (3)
Na1—O1A^v	2.4025 (13)	C3B—H3B	0.9500
Na1—O1A^ii	2.4026 (13)	C4B—C5B	1.508 (3)
Na2—O1B	2.4231 (17)	C5B—H5B1	0.9801
Na2—O1B^i	2.4230 (17)	C5B—H5B2	0.9799
Na2—O1B^ii	2.4231 (17)	C5B—H5B3	0.9798
Na2—O2A	2.4651 (16)	O1C—C2C	1.268 (2)
Na2—O2A^ii	2.4651 (16)	O2C—C4C	1.264 (2)
Na2—O2A^i	2.4651 (16)	C1C—C2C	1.504 (3)
Na3—O2B	2.4351 (16)	C1C—H1C1	0.9799
Na3—O2B^ii	2.4350 (16)	C1C—H1C2	0.9799
Na3—O2B^i	2.4350 (16)	C1C—H1C3	0.9800
Na3—O1C	2.4579 (16)	C2C—C3C	1.397 (3)
Na3—O1C^ii	2.4580 (16)	C3C—C4C	1.395 (3)
Na3—O1C^i	2.4580 (16)	C3C—H3C	0.9500
Na4—O2C	2.3605 (14)	C4C—C5C	1.513 (3)
Na4—O2C^vi	2.3605 (14)	C5C—H5C1	0.9801
Na4—O2C^vii	2.3605 (14)	C5C—H5C2	0.9803
Na4—O2C^viii	2.3605 (14)	C5C—H5C3	0.9799
Na4—O2C^ii	2.3605 (14)
O2A^i—Mn1A—O2A	83.40 (5)	O2C—Mn1C—O2C^ii	82.05 (6)
O2A^i—Mn1A—O2A^ii	83.40 (5)	O1C^ii—Mn1C—O2C^i	149.33 (5)
O2A—Mn1A—O2A^ii	83.40 (5)	O1C^i—Mn1C—O2C^i	82.79 (5)
O2A^i—Mn1A—O1A	157.05 (5)	O1C—Mn1C—O2C^i	121.87 (5)
O2A—Mn1A—O1A	84.44 (5)	O2C—Mn1C—O2C^i	82.06 (6)
O2A^ii—Mn1A—O1A	114.41 (5)	O2C^ii—Mn1C—O2C^i	82.06 (6)
O2A^i—Mn1A—O1A^ii	114.41 (5)	C2C—O1C—Mn1C	130.05 (13)
O2A—Mn1A—O1A^ii	157.05 (5)	C2C—O1C—Na3	139.66 (13)
O2A^ii—Mn1A—O1A^ii	84.44 (5)	Mn1C—O1C—Na3	88.28 (5)
O1A—Mn1A—O1A^ii	82.96 (5)	C4C—O2C—Mn1C	130.81 (13)
O2A^i—Mn1A—O1A^i	84.45 (5)	C4C—O2C—Na4	139.87 (13)
O2A—Mn1A—O1A^i	114.42 (5)	Mn1C—O2C—Na4	86.90 (5)
O2A^ii—Mn1A—O1A^i	157.05 (5)	C2C—C1C—H1C1	109.4
O1A—Mn1A—O1A^i	82.96 (5)	C2C—C1C—H1C2	109.4
O1A^ii—Mn1A—O1A^i	82.96 (5)	H1C1—C1C—H1C2	109.5
C2A—O1A—Mn1A	128.22 (11)	C2C—C1C—H1C3	109.6
C2A—O1A—Na1	133.55 (11)	H1C1—C1C—H1C3	109.5
Mn1A—O1A—Na1	86.93 (4)	H1C2—C1C—H1C3	109.5
C4A—O2A—Mn1A	128.19 (12)	O1C—C2C—C3C	125.71 (18)
C4A—O2A—Na2	142.51 (12)	O1C—C2C—C1C	115.88 (19)
Mn1A—O2A—Na2	87.79 (5)	C3C—C2C—C1C	118.39 (18)
C2A—C1A—H1A1	109.2	C4C—C3C—C2C	125.83 (18)
C2A—C1A—H1A2	109.7	C4C—C3C—H3C	117.1
H1A1—C1A—H1A2	109.5	C2C—C3C—H3C	117.1
C2A—C1A—H1A3	109.5	O2C—C4C—C3C	124.78 (18)
H1A1—C1A—H1A3	109.5	O2C—C4C—C5C	116.22 (19)
H1A2—C1A—H1A3	109.5	C3C—C4C—C5C	118.97 (19)
O1A—C2A—C3A	125.73 (17)	C4C—C5C—H5C1	109.5
O1A—C2A—C1A	115.49 (16)	C4C—C5C—H5C2	109.5
C3A—C2A—C1A	118.77 (17)	H5C1—C5C—H5C2	109.4
C2A—C3A—C4A	126.52 (17)	C4C—C5C—H5C3	109.4
C2A—C3A—H3A	116.7	H5C1—C5C—H5C3	109.5
C4A—C3A—H3A	116.7	H5C2—C5C—H5C3	109.5
O2A—C4A—C3A	125.66 (17)	O1A^iii—Na1—O1A^i	180.0
O2A—C4A—C5A	116.58 (17)	O1A^iii—Na1—O1A^iv	72.68 (5)
C3A—C4A—C5A	117.74 (17)	O1A^i—Na1—O1A^iv	107.32 (5)
C4A—C5A—H5A1	109.4	O1A^iii—Na1—O1A^v	72.68 (5)
C4A—C5A—H5A2	109.5	O1A^i—Na1—O1A^v	107.32 (5)
H5A1—C5A—H5A2	109.5	O1A^iv—Na1—O1A^v	72.68 (5)
C4A—C5A—H5A3	109.5	O1A^iii—Na1—O1A	107.32 (5)
H5A1—C5A—H5A3	109.5	O1A^i—Na1—O1A	72.68 (5)
H5A2—C5A—H5A3	109.5	O1A^iv—Na1—O1A	179.999 (1)
O1B^ii—Mn1B—O1B^i	80.91 (6)	O1A^v—Na1—O1A	107.32 (5)
O1B^ii—Mn1B—O1B	80.91 (6)	O1A^iii—Na1—O1A^ii	107.32 (5)
O1B^i—Mn1B—O1B	80.91 (6)	O1A^i—Na1—O1A^ii	72.68 (5)
O1B^ii—Mn1B—O2B^ii	82.66 (5)	O1A^iv—Na1—O1A^ii	107.32 (5)
O1B^i—Mn1B—O2B^ii	142.16 (6)	O1A^v—Na1—O1A^ii	180.0
O1B—Mn1B—O2B^ii	129.48 (6)	O1A—Na1—O1A^ii	72.68 (5)
O1B^ii—Mn1B—O2B^i	129.48 (6)	O1B^i—Na2—O1B	70.46 (6)
O1B^i—Mn1B—O2B^i	82.67 (5)	O1B^i—Na2—O1B^ii	70.46 (6)
O1B—Mn1B—O2B^i	142.16 (6)	O1B—Na2—O1B^ii	70.45 (6)
O2B^ii—Mn1B—O2B^i	81.95 (6)	O1B^i—Na2—O2A	112.18 (5)
O1B^ii—Mn1B—O2B	142.16 (6)	O1B—Na2—O2A	106.73 (5)
O1B^i—Mn1B—O2B	129.48 (6)	O1B^ii—Na2—O2A	175.55 (5)
O1B—Mn1B—O2B	82.66 (5)	O1B^i—Na2—O2A^ii	175.55 (5)
O2B^ii—Mn1B—O2B	81.95 (6)	O1B—Na2—O2A^ii	112.17 (5)
O2B^i—Mn1B—O2B	81.95 (6)	O1B^ii—Na2—O2A^ii	106.73 (5)
C2B—O1B—Mn1B	130.64 (13)	O2A—Na2—O2A^ii	70.86 (6)
C2B—O1B—Na2	138.73 (13)	O1B^i—Na2—O2A^i	106.74 (5)
Mn1B—O1B—Na2	89.71 (6)	O1B—Na2—O2A^i	175.55 (5)
C4B—O2B—Mn1B	130.07 (12)	O1B^ii—Na2—O2A^i	112.18 (5)
C4B—O2B—Na3	141.38 (13)	O2A—Na2—O2A^i	70.86 (6)
Mn1B—O2B—Na3	88.37 (5)	O2A^ii—Na2—O2A^i	70.86 (6)
C2B—C1B—H1B1	109.5	O2B^ii—Na3—O2B^i	71.48 (6)
C2B—C1B—H1B2	109.3	O2B^ii—Na3—O2B	71.48 (6)
H1B1—C1B—H1B2	109.5	O2B^i—Na3—O2B	71.48 (6)
C2B—C1B—H1B3	109.6	O2B^ii—Na3—O1C	175.06 (5)
H1B1—C1B—H1B3	109.5	O2B^i—Na3—O1C	106.05 (5)
H1B2—C1B—H1B3	109.5	O2B—Na3—O1C	112.07 (5)
O1B—C2B—C3B	125.40 (18)	O2B^ii—Na3—O1C^ii	112.08 (5)
O1B—C2B—C1B	115.48 (19)	O2B^i—Na3—O1C^ii	175.06 (5)
C3B—C2B—C1B	119.1 (2)	O2B—Na3—O1C^ii	106.05 (5)
C2B—C3B—C4B	126.1 (2)	O1C—Na3—O1C^ii	70.67 (6)
C2B—C3B—H3B	117.0	O2B^ii—Na3—O1C^i	106.05 (5)
C4B—C3B—H3B	117.0	O2B^i—Na3—O1C^i	112.08 (5)
O2B—C4B—C3B	125.06 (18)	O2B—Na3—O1C^i	175.06 (5)
O2B—C4B—C5B	117.23 (18)	O1C—Na3—O1C^i	70.67 (6)
C3B—C4B—C5B	117.70 (19)	O1C^ii—Na3—O1C^i	70.67 (6)
C4B—C5B—H5B1	109.4	O2C—Na4—O2C^vi	180.0
C4B—C5B—H5B2	109.4	O2C—Na4—O2C^vii	106.31 (5)
H5B1—C5B—H5B2	109.5	O2C^vi—Na4—O2C^vii	73.69 (5)
C4B—C5B—H5B3	109.6	O2C—Na4—O2C^viii	106.32 (5)
H5B1—C5B—H5B3	109.5	O2C^vi—Na4—O2C^viii	73.68 (5)
H5B2—C5B—H5B3	109.5	O2C^vii—Na4—O2C^viii	73.68 (5)
O1C^ii—Mn1C—O1C^i	82.85 (5)	O2C—Na4—O2C^ii	73.68 (5)
O1C^ii—Mn1C—O1C	82.85 (5)	O2C^vi—Na4—O2C^ii	106.32 (5)
O1C^i—Mn1C—O1C	82.85 (5)	O2C^vii—Na4—O2C^ii	106.32 (5)
O1C^ii—Mn1C—O2C	121.87 (5)	O2C^viii—Na4—O2C^ii	179.998 (1)
O1C^i—Mn1C—O2C	149.33 (5)	O2C—Na4—O2C^i	73.68 (5)
O1C—Mn1C—O2C	82.79 (5)	O2C^vi—Na4—O2C^i	106.32 (5)
O1C^ii—Mn1C—O2C^ii	82.79 (5)	O2C^vii—Na4—O2C^i	180.0
O1C^i—Mn1C—O2C^ii	121.87 (5)	O2C^viii—Na4—O2C^i	106.32 (5)
O1C—Mn1C—O2C^ii	149.33 (5)	O2C^ii—Na4—O2C^i	73.68 (5)
O2A^i—Mn1A—O1A—C2A	−47.7 (2)	O2C^ii—Mn1C—O1C—Na3	−104.46 (10)
O2A—Mn1A—O1A—C2A	10.63 (15)	O2C^i—Mn1C—O1C—Na3	118.70 (5)
O2A^ii—Mn1A—O1A—C2A	90.79 (15)	O1C^ii—Mn1C—O2C—C4C	−77.38 (18)
O1A^ii—Mn1A—O1A—C2A	171.40 (16)	O1C^i—Mn1C—O2C—C4C	62.2 (2)
O1A^i—Mn1A—O1A—C2A	−104.86 (17)	O1C—Mn1C—O2C—C4C	−0.46 (17)
O2A^i—Mn1A—O1A—Na1	99.07 (12)	O2C^ii—Mn1C—O2C—C4C	−153.72 (19)
O2A—Mn1A—O1A—Na1	157.36 (5)	O2C^i—Mn1C—O2C—C4C	123.3 (2)
O2A^ii—Mn1A—O1A—Na1	−122.48 (5)	O1C^ii—Mn1C—O2C—Na4	117.86 (5)
O1A^ii—Mn1A—O1A—Na1	−41.87 (2)	O1C^i—Mn1C—O2C—Na4	−102.57 (10)
O1A^i—Mn1A—O1A—Na1	41.87 (2)	O1C—Mn1C—O2C—Na4	−165.23 (5)
O2A^i—Mn1A—O2A—C4A	149.45 (17)	O2C^ii—Mn1C—O2C—Na4	41.51 (2)
O2A^ii—Mn1A—O2A—C4A	−126.46 (17)	O2C^i—Mn1C—O2C—Na4	−41.51 (2)
O1A—Mn1A—O2A—C4A	−11.04 (15)	Mn1C—O1C—C2C—C3C	−0.1 (3)
O1A^ii—Mn1A—O2A—C4A	−68.0 (2)	Na3—O1C—C2C—C3C	158.24 (14)
O1A^i—Mn1A—O2A—C4A	68.63 (16)	Mn1C—O1C—C2C—C1C	178.49 (13)
O2A^i—Mn1A—O2A—Na2	−42.04 (5)	Na3—O1C—C2C—C1C	−23.2 (3)
O2A^ii—Mn1A—O2A—Na2	42.04 (5)	O1C—C2C—C3C—C4C	−1.5 (3)
O1A—Mn1A—O2A—Na2	157.47 (5)	C1C—C2C—C3C—C4C	179.98 (19)
O1A^ii—Mn1A—O2A—Na2	100.51 (12)	Mn1C—O2C—C4C—C3C	−0.6 (3)
O1A^i—Mn1A—O2A—Na2	−122.86 (5)	Na4—O2C—C4C—C3C	155.33 (15)
Mn1A—O1A—C2A—C3A	−8.6 (3)	Mn1C—O2C—C4C—C5C	177.52 (14)
Na1—O1A—C2A—C3A	−139.46 (16)	Na4—O2C—C4C—C5C	−26.5 (3)
Mn1A—O1A—C2A—C1A	172.54 (12)	C2C—C3C—C4C—O2C	1.8 (3)
Na1—O1A—C2A—C1A	41.6 (2)	C2C—C3C—C4C—C5C	−176.27 (19)
O1A—C2A—C3A—C4A	1.7 (3)	C2A—O1A—Na1—O1A^iii	−74.85 (18)
C1A—C2A—C3A—C4A	−179.43 (18)	Mn1A—O1A—Na1—O1A^iii	141.63 (4)
Mn1A—O2A—C4A—C3A	9.4 (3)	C2A—O1A—Na1—O1A^i	105.15 (18)
Na2—O2A—C4A—C3A	−151.51 (15)	Mn1A—O1A—Na1—O1A^i	−38.37 (4)
Mn1A—O2A—C4A—C5A	−168.95 (12)	C2A—O1A—Na1—O1A^v	1.88 (17)
Na2—O2A—C4A—C5A	30.1 (3)	Mn1A—O1A—Na1—O1A^v	−141.63 (4)
C2A—C3A—C4A—O2A	−2.1 (3)	C2A—O1A—Na1—O1A^ii	−178.12 (17)
C2A—C3A—C4A—C5A	176.18 (18)	Mn1A—O1A—Na1—O1A^ii	38.37 (4)
O1B^ii—Mn1B—O1B—C2B	148.4 (2)	C2B—O1B—Na2—O1B^i	131.3 (2)
O1B^i—Mn1B—O1B—C2B	−129.4 (2)	Mn1B—O1B—Na2—O1B^i	−37.74 (5)
O2B^ii—Mn1B—O1B—C2B	75.9 (2)	C2B—O1B—Na2—O1B^ii	−153.2 (2)
O2B^i—Mn1B—O1B—C2B	−64.0 (2)	Mn1B—O1B—Na2—O1B^ii	37.74 (5)
O2B—Mn1B—O1B—C2B	2.64 (18)	C2B—O1B—Na2—O2A	23.1 (2)
O1B^ii—Mn1B—O1B—Na2	−41.08 (5)	Mn1B—O1B—Na2—O2A	−145.89 (5)
O1B^i—Mn1B—O1B—Na2	41.08 (5)	C2B—O1B—Na2—O2A^ii	−52.5 (2)
O2B^ii—Mn1B—O1B—Na2	−113.66 (6)	Mn1B—O1B—Na2—O2A^ii	138.42 (5)
O2B^i—Mn1B—O1B—Na2	106.45 (8)	C4A—O2A—Na2—O1B^i	−56.2 (2)
O2B—Mn1B—O1B—Na2	173.13 (6)	Mn1A—O2A—Na2—O1B^i	138.67 (5)
O1B^ii—Mn1B—O2B—C4B	−67.5 (2)	C4A—O2A—Na2—O1B	19.0 (2)
O1B^i—Mn1B—O2B—C4B	69.16 (18)	Mn1A—O2A—Na2—O1B	−146.08 (5)
O1B—Mn1B—O2B—C4B	−2.63 (17)	C4A—O2A—Na2—O2A^ii	127.2 (2)
O2B^ii—Mn1B—O2B—C4B	−134.4 (2)	Mn1A—O2A—Na2—O2A^ii	−37.85 (4)
O2B^i—Mn1B—O2B—C4B	142.69 (19)	C4A—O2A—Na2—O2A^i	−157.1 (2)
O1B^ii—Mn1B—O2B—Na3	108.38 (8)	Mn1A—O2A—Na2—O2A^i	37.85 (4)
O1B^i—Mn1B—O2B—Na3	−115.01 (6)	C4B—O2B—Na3—O2B^ii	136.9 (2)
O1B—Mn1B—O2B—Na3	173.20 (6)	Mn1B—O2B—Na3—O2B^ii	−38.03 (5)
O2B^ii—Mn1B—O2B—Na3	41.47 (5)	C4B—O2B—Na3—O2B^i	−147.1 (2)
O2B^i—Mn1B—O2B—Na3	−41.47 (5)	Mn1B—O2B—Na3—O2B^i	38.03 (5)
Mn1B—O1B—C2B—C3B	−2.1 (3)	C4B—O2B—Na3—O1C	−46.8 (2)
Na2—O1B—C2B—C3B	−167.59 (15)	Mn1B—O2B—Na3—O1C	138.32 (5)
Mn1B—O1B—C2B—C1B	177.87 (15)	C4B—O2B—Na3—O1C^ii	28.4 (2)
Na2—O1B—C2B—C1B	12.4 (3)	Mn1B—O2B—Na3—O1C^ii	−146.45 (5)
O1B—C2B—C3B—C4B	0.2 (3)	C2C—O1C—Na3—O2B^i	50.36 (19)
C1B—C2B—C3B—C4B	−179.8 (2)	Mn1C—O1C—Na3—O2B^i	−146.07 (5)
Mn1B—O2B—C4B—C3B	2.1 (3)	C2C—O1C—Na3—O2B	−25.8 (2)
Na3—O2B—C4B—C3B	−171.23 (15)	Mn1C—O1C—Na3—O2B	137.81 (5)
Mn1B—O2B—C4B—C5B	−177.79 (13)	C2C—O1C—Na3—O1C^ii	−125.8 (2)
Na3—O2B—C4B—C5B	8.9 (3)	Mn1C—O1C—Na3—O1C^ii	37.80 (4)
C2B—C3B—C4B—O2B	−0.2 (3)	C2C—O1C—Na3—O1C^i	158.6 (2)
C2B—C3B—C4B—C5B	179.7 (2)	Mn1C—O1C—Na3—O1C^i	−37.80 (4)
O1C^ii—Mn1C—O1C—C2C	124.34 (18)	C4C—O2C—Na4—O2C^vii	56.6 (2)
O1C^i—Mn1C—O1C—C2C	−152.01 (17)	Mn1C—O2C—Na4—O2C^vii	−141.34 (4)
O2C—Mn1C—O1C—C2C	0.82 (16)	C4C—O2C—Na4—O2C^viii	−20.7 (2)
O2C^ii—Mn1C—O1C—C2C	61.7 (2)	Mn1C—O2C—Na4—O2C^viii	141.34 (4)
O2C^i—Mn1C—O1C—C2C	−75.13 (17)	C4C—O2C—Na4—O2C^ii	159.3 (2)
O1C^ii—Mn1C—O1C—Na3	−41.82 (5)	Mn1C—O2C—Na4—O2C^ii	−38.66 (4)
O1C^i—Mn1C—O1C—Na3	41.82 (5)	C4C—O2C—Na4—O2C^i	−123.4 (2)
O2C—Mn1C—O1C—Na3	−165.34 (5)	Mn1C—O2C—Na4—O2C^i	38.66 (4)

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