Sodium [1,2-bis(2-methyl-2-oxopropan­amido)­benzene](tetra­hydro­furan)­manganese(III) methanol solvate

Berggren, G.; Anderlund, M.F.; Magnuson, A.; Åkermark, B.; Eriksson, L.

doi:10.1107/S1600536805015230

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Sodium [1,2-bis(2-methyl-2-oxopropanamido)benzene](tetrahydrofuran)manganese(III) methanol solvate

G. Berggren, M. F. Anderlund, A. Magnuson, B. Åkermark and L. Eriksson

The Mn^III complex in the title compound, Na[Mn(C₁₄H₁₆N₂O₄)(C₄H₈O)]·CH₃OH, is an important intermediate in the synthesis of some interesting Mn^V compounds. The Mn^III atom is a paramagnetic (d⁴) species in an elongated square-pyramidal (O₂N₂O) coordination belonging to point group C_s.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805015230/is6072sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805015230/is6072Isup2.hkl Contains datablock I

CCDC reference: 274443

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.036
wR factor = 0.082
Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       5.18 Ratio

Author Response: see _publ_section_exptl_refinement

PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        C23

Author Response: see _publ_section_exptl_refinement


Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C22

Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.62 mm
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.76 Ratio
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C24    -   C25    ...       1.40 Ang.

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           25.91
           From the CIF: _reflns_number_total               3949
           Count of symmetry unique reflns         2239
           Completeness (_total/calc)            176.37%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1710
           Fraction of Friedel pairs measured     0.764
           Are heavy atom types Z>Si present          yes

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: EXPOSE in IPDS Software (Stoe & Cie, 1997); cell refinement: CELL in IPDS Software; data reduction: INTEGRATE in IPDS Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Bergerhoff, 1996); software used to prepare material for publication: SHELXL97.

Sodium [1,2-bis(2-methyl-2-oxopropanamido)benzene](tetrahydrofuran)manganese(III) methanol solvate top

Crystal data top

Na[Mn(C₁₄H₁₆N₂O₄)(C₄H₈O)]·CH₄O	D_x = 1.364 Mg m⁻³
M_r = 458.33	Mo Kα radiation, λ = 0.71073 Å
Tetragonal, P4₃	Cell parameters from 970 reflections
Hall symbol: P 4cw	θ = 2.1–25.2°
a = 10.8281 (19) Å	µ = 0.65 mm⁻¹
c = 19.043 (4) Å	T = 293 K
V = 2232.8 (7) Å³	Octahedron, red_brown
Z = 4	0.62 × 0.20 × 0.17 mm
F(000) = 960

Data collection top

Stoe IPDS diffractometer	3949 independent reflections
Radiation source: fine-focus sealed tube	3340 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.068
Detector resolution: 6.7 pixels mm^-1	θ_max = 25.9°, θ_min = 2.2°
Area–detector φ scans	h = −13→11
Absorption correction: numerical (X-RED; Stoe & Cie, 1997)	k = −13→13
T_min = 0.666, T_max = 0.898	l = −23→18
12516 measured reflections

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.036	H-atom parameters constrained
wR(F²) = 0.082	w = 1/[σ²(F_o²) + (0.0442P)²] where P = (F_o² + 2F_c²)/3
S = 0.98	(Δ/σ)_max < 0.001
3949 reflections	Δρ_max = 0.32 e Å⁻³
268 parameters	Δρ_min = −0.24 e Å⁻³
1 restraint	Absolute structure: Flack (1983), 1710 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.036 (17)

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq
Mn1	0.60271 (4)	0.97710 (4)	0.10523 (2)	0.03119 (12)
C1	0.7912 (3)	1.0620 (3)	0.19625 (17)	0.0335 (7)
C2	0.7841 (3)	0.9341 (3)	0.20842 (17)	0.0332 (6)
C3	0.8607 (3)	0.8796 (3)	0.2582 (2)	0.0456 (8)
H3	0.8562	0.7951	0.2666	0.055*
C4	0.9428 (3)	0.9515 (4)	0.2948 (2)	0.0538 (10)
H4	0.9928	0.9157	0.3288	0.065*
C5	0.9517 (3)	1.0757 (4)	0.2815 (2)	0.0561 (10)
H5	1.0088	1.1230	0.3061	0.067*
C6	0.8772 (3)	1.1312 (3)	0.2321 (2)	0.0467 (9)
H6	0.8849	1.2152	0.2231	0.056*
N7	0.6976 (2)	0.8731 (2)	0.16533 (15)	0.0340 (6)
C8	0.6808 (3)	0.7520 (3)	0.15658 (18)	0.0384 (7)
C9	0.5867 (3)	0.7211 (2)	0.1006 (2)	0.0398 (7)
O10	0.5533 (2)	0.83015 (18)	0.06273 (12)	0.0385 (5)
C11	0.4718 (4)	0.6670 (4)	0.1352 (2)	0.0625 (12)
H11A	0.4370	0.7266	0.1668	0.094*
H11B	0.4938	0.5939	0.1608	0.094*
H11C	0.4122	0.6465	0.0997	0.094*
C12	0.6424 (4)	0.6296 (3)	0.0496 (2)	0.0585 (10)
H12A	0.5851	0.6141	0.0122	0.088*
H12B	0.6601	0.5537	0.0737	0.088*
H12C	0.7175	0.6629	0.0306	0.088*
O13	0.7334 (3)	0.6686 (2)	0.18993 (16)	0.0608 (8)
N14	0.7077 (2)	1.1028 (2)	0.14443 (14)	0.0326 (6)
C15	0.6955 (3)	1.2160 (2)	0.11696 (18)	0.0349 (7)
C16	0.5988 (3)	1.2209 (3)	0.05795 (18)	0.0399 (7)
O17	0.5569 (2)	1.09977 (18)	0.04226 (13)	0.0427 (6)
C18	0.4894 (4)	1.2973 (3)	0.0838 (3)	0.0619 (12)
H18A	0.4295	1.3048	0.0468	0.093*
H18B	0.5175	1.3779	0.0973	0.093*
H18C	0.4523	1.2572	0.1235	0.093*
C19	0.6558 (4)	1.2754 (4)	−0.0066 (2)	0.0647 (11)
H19A	0.7184	1.2207	−0.0241	0.097*
H19B	0.6921	1.3538	0.0047	0.097*
H19C	0.5933	1.2866	−0.0418	0.097*
O20	0.7520 (3)	1.31038 (19)	0.13512 (14)	0.0525 (6)
O21	0.4431 (2)	1.0018 (3)	0.17732 (14)	0.0578 (7)
C22	0.3207 (4)	0.9913 (5)	0.1536 (3)	0.0812 (15)
H22A	0.3150	0.9320	0.1155	0.097*
H22B	0.2902	1.0704	0.1372	0.097*
C23	0.2492 (7)	0.9485 (10)	0.2154 (5)	0.172 (4)
H23A	0.2223	0.8639	0.2085	0.207*
H23B	0.1767	0.9998	0.2218	0.207*
C24	0.3329 (8)	0.9569 (8)	0.2805 (4)	0.150 (4)
H24A	0.3005	1.0159	0.3142	0.180*
H24B	0.3408	0.8771	0.3032	0.180*
C25	0.4467 (5)	0.9965 (7)	0.2536 (3)	0.0990 (18)
H25A	0.5112	0.9400	0.2684	0.119*
H25B	0.4661	1.0776	0.2721	0.119*
Na26	0.51840 (10)	0.81730 (11)	−0.05610 (7)	0.0412 (3)
O27	0.4711 (3)	1.0200 (3)	−0.07889 (15)	0.0635 (8)
H27	0.4927	1.0439	−0.0399	0.095*
C28	0.3530 (4)	1.0670 (5)	−0.0942 (3)	0.0865 (15)
H28A	0.3041	1.0681	−0.0521	0.130*
H28B	0.3138	1.0155	−0.1286	0.130*
H28C	0.3605	1.1495	−0.1122	0.130*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mn1	0.0378 (3)	0.0220 (2)	0.0338 (2)	−0.00106 (18)	−0.0063 (2)	−0.0016 (2)
C1	0.0330 (15)	0.0333 (15)	0.0343 (18)	0.0025 (12)	−0.0022 (13)	−0.0070 (13)
C2	0.0316 (15)	0.0335 (15)	0.0345 (18)	0.0018 (11)	−0.0013 (13)	−0.0048 (13)
C3	0.051 (2)	0.0434 (18)	0.042 (2)	0.0061 (15)	−0.0063 (16)	0.0021 (16)
C4	0.051 (2)	0.062 (2)	0.048 (2)	0.0110 (17)	−0.0200 (18)	−0.0040 (18)
C5	0.053 (2)	0.057 (2)	0.058 (3)	0.0012 (17)	−0.0205 (19)	−0.0167 (19)
C6	0.0439 (19)	0.0354 (17)	0.061 (2)	−0.0002 (14)	−0.0119 (18)	−0.0133 (16)
N7	0.0393 (13)	0.0250 (12)	0.0377 (16)	−0.0003 (10)	−0.0052 (11)	0.0004 (11)
C8	0.0461 (18)	0.0288 (15)	0.040 (2)	0.0045 (13)	−0.0011 (15)	0.0037 (14)
C9	0.0498 (17)	0.0225 (13)	0.047 (2)	−0.0036 (12)	−0.0052 (17)	0.0017 (15)
O10	0.0485 (12)	0.0256 (10)	0.0413 (14)	−0.0023 (9)	−0.0113 (10)	−0.0033 (9)
C11	0.059 (2)	0.048 (2)	0.081 (3)	−0.0180 (18)	0.000 (2)	0.0114 (19)
C12	0.089 (3)	0.0276 (16)	0.059 (3)	0.0050 (17)	−0.007 (2)	−0.0038 (17)
O13	0.0838 (18)	0.0272 (11)	0.072 (2)	0.0082 (11)	−0.0270 (15)	0.0077 (12)
N14	0.0363 (13)	0.0253 (12)	0.0363 (15)	−0.0016 (10)	−0.0033 (11)	−0.0054 (10)
C15	0.0441 (16)	0.0248 (13)	0.0357 (19)	−0.0004 (12)	0.0059 (14)	−0.0054 (13)
C16	0.0531 (19)	0.0252 (14)	0.041 (2)	0.0007 (13)	−0.0053 (15)	−0.0002 (13)
O17	0.0584 (14)	0.0248 (10)	0.0448 (14)	−0.0042 (9)	−0.0149 (11)	−0.0004 (10)
C18	0.059 (2)	0.0401 (18)	0.087 (4)	0.0116 (17)	−0.007 (2)	−0.0062 (19)
C19	0.101 (3)	0.047 (2)	0.046 (2)	−0.014 (2)	−0.006 (2)	0.0121 (18)
O20	0.0748 (17)	0.0268 (11)	0.0559 (16)	−0.0151 (11)	−0.0084 (13)	−0.0059 (10)
O21	0.0394 (13)	0.0883 (19)	0.0458 (17)	−0.0056 (12)	0.0023 (11)	−0.0100 (14)
C22	0.040 (2)	0.107 (4)	0.097 (4)	0.001 (2)	−0.008 (2)	−0.020 (3)
C23	0.082 (4)	0.266 (11)	0.169 (9)	−0.064 (6)	0.049 (5)	−0.050 (8)
C24	0.167 (8)	0.180 (7)	0.102 (6)	−0.071 (6)	0.067 (6)	−0.031 (5)
C25	0.086 (4)	0.146 (6)	0.065 (4)	−0.004 (4)	0.004 (3)	−0.018 (4)
Na26	0.0282 (6)	0.0511 (7)	0.0442 (8)	0.0035 (5)	−0.0026 (5)	−0.0123 (6)
O27	0.0787 (19)	0.0590 (17)	0.0526 (19)	0.0128 (14)	−0.0217 (15)	−0.0095 (13)
C28	0.076 (3)	0.102 (4)	0.082 (4)	0.019 (3)	−0.017 (3)	0.004 (3)

Geometric parameters (Å, º) top

Mn1—O17	1.857 (2)	C15—C16	1.537 (5)
Mn1—O10	1.864 (2)	C16—O17	1.419 (4)
Mn1—N7	1.906 (3)	C16—C19	1.497 (6)
Mn1—N14	1.924 (2)	C16—C18	1.526 (5)
Mn1—O21	2.223 (3)	C18—H18A	0.9600
Mn1—Na26	3.6425 (14)	C18—H18B	0.9600
C1—C6	1.376 (4)	C18—H18C	0.9600
C1—C2	1.406 (4)	C19—H19A	0.9600
C1—N14	1.410 (4)	C19—H19B	0.9600
C2—C3	1.390 (5)	C19—H19C	0.9600
C2—N7	1.410 (4)	O21—C22	1.405 (5)
C3—C4	1.372 (5)	O21—C25	1.454 (7)
C3—H3	0.9300	C22—C23	1.484 (10)
C4—C5	1.372 (5)	C22—H22A	0.9700
C4—H4	0.9300	C22—H22B	0.9700
C5—C6	1.377 (5)	C23—C24	1.538 (12)
C5—H5	0.9300	C23—H23A	0.9700
C6—H6	0.9300	C23—H23B	0.9700
N7—C8	1.335 (4)	C24—C25	1.402 (8)
C8—O13	1.242 (4)	C24—H24A	0.9700
C8—C9	1.512 (5)	C24—H24B	0.9700
C9—O10	1.430 (4)	C25—H25A	0.9700
C9—C12	1.513 (5)	C25—H25B	0.9700
C9—C11	1.525 (5)	Na26—O10	2.298 (3)
C11—H11A	0.9600	Na26—O13ⁱ	2.220 (2)
C11—H11B	0.9600	Na26—O20ⁱⁱ	2.278 (2)
C11—H11C	0.9600	Na26—O27	2.296 (3)
C12—H12A	0.9600	O27—H27	0.8200
C12—H12B	0.9600	C28—H28A	0.9600
C12—H12C	0.9600	C28—H28B	0.9600
N14—C15	1.339 (4)	C28—H28C	0.9600
C15—O20	1.240 (4)

O17—Mn1—O10	104.68 (10)	O20—C15—N14	126.6 (3)
O17—Mn1—N7	162.61 (10)	O20—C15—C16	120.8 (3)
O10—Mn1—N7	84.91 (10)	N14—C15—C16	112.6 (2)
O17—Mn1—N14	84.39 (10)	O17—C16—C19	108.9 (3)
O10—Mn1—N14	160.43 (10)	O17—C16—C18	108.7 (3)
N7—Mn1—N14	82.34 (10)	C19—C16—C18	111.8 (3)
O17—Mn1—O21	96.04 (11)	O17—C16—C15	109.9 (2)
O10—Mn1—O21	98.48 (10)	C19—C16—C15	109.4 (3)
N7—Mn1—O21	96.84 (11)	C18—C16—C15	108.2 (3)
N14—Mn1—O21	97.74 (11)	C16—O17—Mn1	116.07 (19)
O17—Mn1—Na26	74.22 (7)	C16—C18—H18A	109.5
O10—Mn1—Na26	32.45 (7)	C16—C18—H18B	109.5
N7—Mn1—Na26	111.16 (8)	H18A—C18—H18B	109.5
N14—Mn1—Na26	144.23 (9)	C16—C18—H18C	109.5
O21—Mn1—Na26	112.53 (7)	H18A—C18—H18C	109.5
C6—C1—C2	119.4 (3)	H18B—C18—H18C	109.5
C6—C1—N14	127.6 (3)	C16—C19—H19A	109.5
C2—C1—N14	112.9 (2)	C16—C19—H19B	109.5
C3—C2—C1	119.9 (3)	H19A—C19—H19B	109.5
C3—C2—N7	126.4 (3)	C16—C19—H19C	109.5
C1—C2—N7	113.7 (3)	H19A—C19—H19C	109.5
C4—C3—C2	119.5 (3)	H19B—C19—H19C	109.5
C4—C3—H3	120.3	C15—O20—Na26^iv	163.9 (2)
C2—C3—H3	120.3	C22—O21—C25	110.1 (4)
C5—C4—C3	120.6 (3)	C22—O21—Mn1	121.7 (3)
C5—C4—H4	119.7	C25—O21—Mn1	126.2 (3)
C3—C4—H4	119.7	O21—C22—C23	105.2 (5)
C4—C5—C6	120.8 (3)	O21—C22—H22A	110.7
C4—C5—H5	119.6	C23—C22—H22A	110.7
C6—C5—H5	119.6	O21—C22—H22B	110.7
C1—C6—C5	119.9 (3)	C23—C22—H22B	110.7
C1—C6—H6	120.1	H22A—C22—H22B	108.8
C5—C6—H6	120.1	C22—C23—C24	108.3 (5)
C8—N7—C2	128.6 (3)	C22—C23—H23A	110.0
C8—N7—Mn1	115.6 (2)	C24—C23—H23A	110.0
C2—N7—Mn1	115.54 (19)	C22—C23—H23B	110.0
O13—C8—N7	126.0 (3)	C24—C23—H23B	110.0
O13—C8—C9	120.6 (3)	H23A—C23—H23B	108.4
N7—C8—C9	113.4 (3)	C25—C24—C23	104.0 (6)
O10—C9—C8	110.1 (2)	C25—C24—H24A	111.0
O10—C9—C12	108.6 (3)	C23—C24—H24A	111.0
C8—C9—C12	109.2 (3)	C25—C24—H24B	111.0
O10—C9—C11	109.2 (3)	C23—C24—H24B	111.0
C8—C9—C11	109.3 (3)	H24A—C24—H24B	109.0
C12—C9—C11	110.6 (3)	C24—C25—O21	110.7 (5)
C9—O10—Mn1	114.42 (19)	C24—C25—H25A	109.5
C9—O10—Na26	119.19 (19)	O21—C25—H25A	109.5
Mn1—O10—Na26	121.77 (11)	C24—C25—H25B	109.5
C9—C11—H11A	109.5	O21—C25—H25B	109.5
C9—C11—H11B	109.5	H25A—C25—H25B	108.1
H11A—C11—H11B	109.5	O13ⁱ—Na26—O20ⁱⁱ	126.76 (11)
C9—C11—H11C	109.5	O13ⁱ—Na26—O10	102.01 (11)
H11A—C11—H11C	109.5	O20ⁱⁱ—Na26—O10	111.65 (10)
H11B—C11—H11C	109.5	O13ⁱ—Na26—Mn1	116.84 (9)
C9—C12—H12A	109.5	O20ⁱⁱ—Na26—Mn1	110.98 (8)
C9—C12—H12B	109.5	O10—Na26—Mn1	25.79 (5)
H12A—C12—H12B	109.5	C28—O27—H27	109.5
C9—C12—H12C	109.5	O27—C28—H28A	109.5
H12A—C12—H12C	109.5	O27—C28—H28B	109.5
H12B—C12—H12C	109.5	H28A—C28—H28B	109.5
C8—O13—Na26ⁱⁱⁱ	150.2 (3)	O27—C28—H28C	109.5
C15—N14—C1	128.6 (3)	H28A—C28—H28C	109.5
C15—N14—Mn1	116.0 (2)	H28B—C28—H28C	109.5
C1—N14—Mn1	115.38 (18)

C6—C1—C2—C3	2.3 (5)	O17—Mn1—N14—C1	−171.7 (2)
N14—C1—C2—C3	−179.9 (3)	O10—Mn1—N14—C1	−52.7 (4)
C6—C1—C2—N7	−176.4 (3)	N7—Mn1—N14—C1	−2.9 (2)
N14—C1—C2—N7	1.4 (4)	O21—Mn1—N14—C1	93.0 (2)
C1—C2—C3—C4	−0.2 (5)	Na26—Mn1—N14—C1	−118.8 (2)
N7—C2—C3—C4	178.2 (3)	C1—N14—C15—O20	−4.6 (5)
C2—C3—C4—C5	−1.5 (6)	Mn1—N14—C15—O20	178.6 (3)
C3—C4—C5—C6	1.1 (6)	C1—N14—C15—C16	176.2 (3)
C2—C1—C6—C5	−2.6 (5)	Mn1—N14—C15—C16	−0.6 (3)
N14—C1—C6—C5	179.9 (3)	O20—C15—C16—O17	174.1 (3)
C4—C5—C6—C1	1.0 (6)	N14—C15—C16—O17	−6.7 (4)
C3—C2—N7—C8	−8.9 (5)	O20—C15—C16—C19	54.6 (4)
C1—C2—N7—C8	169.6 (3)	N14—C15—C16—C19	−126.1 (3)
C3—C2—N7—Mn1	177.6 (3)	O20—C15—C16—C18	−67.4 (4)
C1—C2—N7—Mn1	−3.9 (3)	N14—C15—C16—C18	111.9 (3)
O17—Mn1—N7—C8	−130.1 (4)	C19—C16—O17—Mn1	131.2 (3)
O10—Mn1—N7—C8	−5.5 (2)	C18—C16—O17—Mn1	−106.8 (3)
N14—Mn1—N7—C8	−170.6 (3)	C15—C16—O17—Mn1	11.4 (3)
O21—Mn1—N7—C8	92.4 (2)	O10—Mn1—O17—C16	−172.1 (2)
Na26—Mn1—N7—C8	−25.0 (3)	N7—Mn1—O17—C16	−50.1 (5)
O17—Mn1—N7—C2	44.3 (5)	N14—Mn1—O17—C16	−9.7 (2)
O10—Mn1—N7—C2	168.8 (2)	O21—Mn1—O17—C16	87.5 (2)
N14—Mn1—N7—C2	3.7 (2)	Na26—Mn1—O17—C16	−160.8 (2)
O21—Mn1—N7—C2	−93.2 (2)	N14—C15—O20—Na26^iv	−76.7 (9)
Na26—Mn1—N7—C2	149.41 (19)	C16—C15—O20—Na26^iv	102.5 (9)
C2—N7—C8—O13	6.2 (6)	O17—Mn1—O21—C22	57.3 (3)
Mn1—N7—C8—O13	179.7 (3)	O10—Mn1—O21—C22	−48.6 (3)
C2—N7—C8—C9	−174.5 (3)	N7—Mn1—O21—C22	−134.4 (3)
Mn1—N7—C8—C9	−1.0 (4)	N14—Mn1—O21—C22	142.4 (3)
O13—C8—C9—O10	−171.3 (3)	Na26—Mn1—O21—C22	−18.1 (4)
N7—C8—C9—O10	9.4 (4)	O17—Mn1—O21—C25	−140.4 (4)
O13—C8—C9—C12	−52.2 (4)	O10—Mn1—O21—C25	113.7 (4)
N7—C8—C9—C12	128.4 (3)	N7—Mn1—O21—C25	27.9 (4)
O13—C8—C9—C11	68.8 (4)	N14—Mn1—O21—C25	−55.3 (4)
N7—C8—C9—C11	−110.5 (3)	Na26—Mn1—O21—C25	144.2 (4)
C8—C9—O10—Mn1	−13.8 (3)	C25—O21—C22—C23	−13.5 (7)
C12—C9—O10—Mn1	−133.3 (2)	Mn1—O21—C22—C23	151.3 (5)
C11—C9—O10—Mn1	106.1 (3)	O21—C22—C23—C24	10.1 (9)
C8—C9—O10—Na26	142.5 (2)	C22—C23—C24—C25	−2.9 (10)
C12—C9—O10—Na26	23.1 (3)	C23—C24—C25—O21	−5.3 (9)
C11—C9—O10—Na26	−97.5 (3)	C22—O21—C25—C24	12.4 (8)
O17—Mn1—O10—C9	176.3 (2)	Mn1—O21—C25—C24	−151.6 (5)
N7—Mn1—O10—C9	11.0 (2)	C9—O10—Na26—O13ⁱ	77.1 (2)
N14—Mn1—O10—C9	60.5 (4)	Mn1—O10—Na26—O13ⁱ	−128.38 (13)
O21—Mn1—O10—C9	−85.2 (2)	C9—O10—Na26—O20ⁱⁱ	−60.9 (2)
Na26—Mn1—O10—C9	155.7 (3)	Mn1—O10—Na26—O20ⁱⁱ	93.66 (15)
O17—Mn1—O10—Na26	20.61 (16)	C9—O10—Na26—Mn1	−154.5 (3)
N7—Mn1—O10—Na26	−144.65 (14)	O17—Mn1—Na26—O13ⁱ	−100.03 (13)
N14—Mn1—O10—Na26	−95.2 (3)	O10—Mn1—Na26—O13ⁱ	59.24 (16)
O21—Mn1—O10—Na26	119.18 (13)	N7—Mn1—Na26—O13ⁱ	97.41 (13)
N7—C8—O13—Na26ⁱⁱⁱ	−144.2 (4)	N14—Mn1—Na26—O13ⁱ	−155.56 (16)
C9—C8—O13—Na26ⁱⁱⁱ	36.5 (7)	O21—Mn1—Na26—O13ⁱ	−9.97 (14)
C6—C1—N14—C15	2.3 (5)	O17—Mn1—Na26—O20ⁱⁱ	104.14 (12)
C2—C1—N14—C15	−175.3 (3)	O10—Mn1—Na26—O20ⁱⁱ	−96.58 (16)
C6—C1—N14—Mn1	179.2 (3)	N7—Mn1—Na26—O20ⁱⁱ	−58.41 (12)
C2—C1—N14—Mn1	1.6 (3)	N14—Mn1—Na26—O20ⁱⁱ	48.61 (16)
O17—Mn1—N14—C15	5.6 (2)	O21—Mn1—Na26—O20ⁱⁱ	−165.79 (12)
O10—Mn1—N14—C15	124.5 (3)	O17—Mn1—Na26—O10	−159.27 (16)
N7—Mn1—N14—C15	174.3 (2)	N7—Mn1—Na26—O10	38.17 (16)
O21—Mn1—N14—C15	−89.7 (2)	N14—Mn1—Na26—O10	145.20 (18)
Na26—Mn1—N14—C15	58.5 (3)	O21—Mn1—Na26—O10	−69.21 (16)

Symmetry codes: (i) −y+1, x, z−1/4; (ii) −y+2, x, z−1/4; (iii) y, −x+1, z+1/4; (iv) y, −x+2, z+1/4.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O27—H27···O17	0.82	1.82	2.633 (4)	174

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