metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

Poly[bis­­(μ3-5-nitro­isophthalato)bis­­(1,10-phenanthroline)dimanganese(II)]

aBiological and Chemical Engineering School, Jiaxing University, Jiaxing 314001, People's Republic of China, and bCollege of Chemistry, Beijing Normal University, Beijing, People's Republic of China
*Correspondence e-mail: hhy123@163.com

(Received 27 February 2009; accepted 12 March 2009; online 19 March 2009)

The title complex, [Mn2(C8H3NO6)2(C12H8N2)2]n, was synthesized under hydro­thermal conditions. The structure contains two independent MnII atoms, each coordinated in a distorted octa­hedral MnN2O4 geometry. [Mn2(phen)2] units (phen = 1,10-phenantroline) are bridged by 5-nitro­isophthalate (nip) ligands into ladder-like chains parallel to [100]. Adjacent polymeric chains are linked by C—H⋯O and ππ inter­actions [centroid-to-centroid distance = 3.6369 (12) Å] into a two-dimensional framework parallel to (010).

Related literature

For related isophthalate complexes, see: He et al. (2004[He, H.-Y., Zhou, Y.-L. & Zhu, L.-G. (2004). Acta Cryst. C60, m569-m571.], 2005[He, H.-Y., Zhou, Y.-L., Hong, Y. & Zhu, L.-G. (2005). J. Mol. Struct. 737, 97-101.]); Sun et al. (2003[Sun, D., Cao, R., Sun, Y., Li, X., Bi, W., Hong, M. & Zhao, Y. (2003). Eur. J. Inorg. Chem. pp. 94-98.]); Wu et al. (2002[Wu, C.-D., Lu, C.-Z., Yang, W.-B., Zhuang, H.-H. & Huang, J.-S. (2002). Inorg. Chem. 41, 3302-3307.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn2(C8H3NO6)2(C12H8N2)2]

  • Mr = 888.52

  • Triclinic, [P \overline 1]

  • a = 10.0602 (1) Å

  • b = 14.3435 (2) Å

  • c = 14.6637 (2) Å

  • α = 104.052 (1)°

  • β = 102.633 (1)°

  • γ = 110.460 (1)°

  • V = 1812.69 (4) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 0.78 mm−1

  • T = 293 K

  • 0.28 × 0.23 × 0.19 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2002[Bruker (2002). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.82, Tmax = 0.90

  • 19255 measured reflections

  • 6733 independent reflections

  • 5771 reflections with I > 2σ(I)

  • Rint = 0.021

Refinement
  • R[F2 > 2σ(F2)] = 0.032

  • wR(F2) = 0.082

  • S = 1.05

  • 6733 reflections

  • 541 parameters

  • H-atom parameters constrained

  • Δρmax = 0.38 e Å−3

  • Δρmin = −0.28 e Å−3

Table 1
Selected bond lengths (Å)

Mn1—O6i 2.1498 (15)
Mn1—O11 2.1508 (15)
Mn1—N2 2.2531 (18)
Mn1—N1 2.2584 (18)
Mn1—O1 2.2661 (15)
Mn1—O2 2.2879 (15)
Mn2—O5 2.1608 (15)
Mn2—O12ii 2.1652 (15)
Mn2—O7 2.1938 (16)
Mn2—N5 2.2411 (18)
Mn2—N6 2.2697 (19)
Mn2—O8 2.3830 (16)
Symmetry codes: (i) x+1, y, z; (ii) x-1, y, z.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C3—H3⋯O1iii 0.93 2.50 3.267 (4) 140
C10—H10⋯O2iv 0.93 2.54 3.210 (3) 129
C29—H29⋯O5 0.93 2.51 3.079 (3) 119
C31—H31⋯O3v 0.93 2.38 2.888 (4) 114
C38—H38⋯O7vi 0.93 2.45 3.121 (3) 129
C38—H38⋯O12vii 0.93 2.60 3.351 (3) 139
Symmetry codes: (iii) -x+1, -y+1, -z+1; (iv) -x+1, -y, -z+1; (v) x, y+1, z; (vi) -x-1, -y, -z; (vii) -x, -y, -z.

Data collection: SMART (Bruker, 2002[Bruker (2002). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2002[Bruker (2002). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).

Supporting information


Comment top

Coordination polymers with isophthalate and its derivatives, such as 5-nitroisophthalate (He et al., 2004), 5-sulfoisophthalate (Sun et al., 2003), 5-hydroisophthalate (He et al., 2005) or 5-aminoisophthalate (Wu et al., 2002), have been attracted interest in recent years because of their potential applications and intriguing architectures with new topologies. Here we reported a novel compound, (I), [Mn2(nip)2(phen)2]n (I), where nip = 5-nitroisophthalate and phen = 1,10-phenanthroline.

In the title compound (I), the coordination sphere of the two manganese ions can be best described as distorted octahedral (Fig.1). The carboxyl groups of the nip ligands with µ2-chelating coordination mode to the metal centres show an average Mn—O distance of 2.288 Å, whereas the carboxyl groups with a µ1-bridging mode have an average Mn—O distance of 2.158 Å. The Mn···Mn separation is 7.8156 (5) Å. A one-dimensional ladder-like framework is created by the bridging coordination mode of the nip ligands. Significant ππ stacking interactions exist between adjacent ladders, with a Cg10···Cg10(-x, -y, 1 - z) distance of 3.6369 (12) Å (Cg10 is the centroid of atoms C14–C19) (Fig. 2).

Related literature top

For related isophthalate complexes, see: He et al. (2004, 2005); Sun et al. (2003); Wu et al. (2002).

Experimental top

A mixture of MnSO4.H2O (0.0840 g, 0.5 mmol), 1,10-phenanthroline (0.1980 g, 1 mmol), 5-nitroisophthalic acid (0.2100 g, 1 mmol), 8 ml H2O and 8 ml EtOH was heated at 473 K for 5 d in a 20 ml Teflon-lined stainless-steel autoclave. After cooling, yellow plane-like crystals of the title compound were obtained.

Refinement top

The aromatic H atoms were generated geometrically, and were included in the refinements in the riding model approximation (C—H = 0.93 Å, Uiso = 1.2Ueq(C)).

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 2009).

Figures top
[Figure 1] Fig. 1. View of the title compound with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level.
[Figure 2] Fig. 2. View of the ππ interactions between the nip ligands.
Poly[bis(µ3-5-nitroisophthalato)bis(1,10-phenanthroline)dimanganese(II)] top
Crystal data top
[Mn2(C8H3NO6)2(C12H8N2)2]V = 1812.69 (4) Å3
Mr = 888.52Z = 2
Triclinic, P1F(000) = 900
Hall symbol: -P 1Dx = 1.628 Mg m3
a = 10.0602 (1) ÅMo Kα radiation, λ = 0.71073 Å
b = 14.3435 (2) Åθ = 2.3–25.5°
c = 14.6637 (2) ŵ = 0.78 mm1
α = 104.052 (1)°T = 293 K
β = 102.633 (1)°Plane, yellow
γ = 110.460 (1)°0.28 × 0.23 × 0.19 mm
Data collection top
Bruker SMART CCD
diffractometer
6733 independent reflections
Radiation source: fine-focus sealed tube5771 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.021
ϕ and ω scansθmax = 25.5°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1112
Tmin = 0.82, Tmax = 0.90k = 1716
19255 measured reflectionsl = 1717
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.082H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0319P)2 + 1.1304P]
where P = (Fo2 + 2Fc2)/3
6733 reflections(Δ/σ)max < 0.001
541 parametersΔρmax = 0.38 e Å3
0 restraintsΔρmin = 0.28 e Å3
Crystal data top
[Mn2(C8H3NO6)2(C12H8N2)2]γ = 110.460 (1)°
Mr = 888.52V = 1812.69 (4) Å3
Triclinic, P1Z = 2
a = 10.0602 (1) ÅMo Kα radiation
b = 14.3435 (2) ŵ = 0.78 mm1
c = 14.6637 (2) ÅT = 293 K
α = 104.052 (1)°0.28 × 0.23 × 0.19 mm
β = 102.633 (1)°
Data collection top
Bruker SMART CCD
diffractometer
6733 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
5771 reflections with I > 2σ(I)
Tmin = 0.82, Tmax = 0.90Rint = 0.021
19255 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0320 restraints
wR(F2) = 0.082H-atom parameters constrained
S = 1.05Δρmax = 0.38 e Å3
6733 reflectionsΔρmin = 0.28 e Å3
541 parameters
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
xyzUiso*/Ueq
O60.38999 (16)0.07873 (13)0.39068 (12)0.0419 (4)
O120.48532 (16)0.06651 (13)0.14855 (12)0.0448 (4)
O100.0320 (2)0.28100 (15)0.00966 (16)0.0681 (6)
O90.1856 (2)0.28002 (15)0.02566 (18)0.0761 (7)
C400.2137 (2)0.40567 (17)0.18610 (17)0.0376 (5)
C390.3176 (2)0.33731 (19)0.08772 (17)0.0389 (5)
C380.4691 (3)0.1676 (2)0.02115 (18)0.0501 (6)
H380.50580.09460.03580.060*
C370.5213 (3)0.2053 (3)0.0939 (2)0.0665 (9)
H370.59290.15800.15520.080*
C360.4671 (3)0.3113 (3)0.0749 (2)0.0695 (9)
H360.49990.33700.12360.083*
Mn10.50277 (3)0.18469 (2)0.40921 (2)0.02943 (9)
Mn20.28274 (3)0.18118 (3)0.19550 (2)0.03242 (9)
O50.22209 (16)0.19531 (12)0.35061 (11)0.0364 (3)
O110.46448 (15)0.19055 (12)0.26097 (11)0.0372 (4)
O10.28394 (16)0.18994 (12)0.41974 (13)0.0444 (4)
O80.04288 (18)0.19540 (13)0.18704 (14)0.0502 (4)
N50.18114 (19)0.35909 (14)0.25249 (13)0.0350 (4)
C140.0582 (2)0.03847 (16)0.38410 (14)0.0278 (4)
N10.60980 (19)0.36391 (14)0.47322 (15)0.0375 (4)
C170.2442 (2)0.05564 (16)0.36682 (15)0.0314 (5)
H170.34470.08760.36190.038*
O20.29375 (16)0.03586 (12)0.38289 (13)0.0439 (4)
C220.0057 (2)0.03872 (16)0.13375 (14)0.0286 (4)
C240.2403 (2)0.04240 (16)0.14906 (14)0.0286 (4)
N20.61892 (19)0.23126 (13)0.57383 (13)0.0336 (4)
C190.0278 (2)0.09562 (16)0.38222 (15)0.0281 (4)
H190.01600.16610.38670.034*
C210.1018 (2)0.09678 (18)0.15297 (15)0.0330 (5)
C150.0072 (2)0.06723 (16)0.37599 (15)0.0313 (4)
H150.04850.10710.37630.038*
C180.1786 (2)0.04910 (16)0.37374 (14)0.0283 (4)
C270.0717 (2)0.06970 (17)0.08307 (15)0.0321 (5)
H270.17560.10820.06120.038*
C260.0202 (2)0.11973 (16)0.06560 (15)0.0315 (4)
C250.1751 (2)0.06559 (17)0.09654 (15)0.0315 (5)
H250.23400.10100.08240.038*
O70.23937 (16)0.04323 (13)0.13500 (13)0.0472 (4)
C160.1575 (2)0.11164 (16)0.36741 (15)0.0311 (4)
C130.2228 (2)0.09112 (17)0.39602 (15)0.0311 (5)
C230.1499 (2)0.09427 (16)0.16730 (14)0.0291 (4)
H230.19420.16700.20240.035*
C320.1522 (3)0.51645 (19)0.2104 (2)0.0501 (6)
C110.6698 (2)0.33550 (17)0.62839 (17)0.0367 (5)
C280.4087 (2)0.10391 (17)0.18864 (16)0.0330 (5)
C200.2706 (2)0.11226 (17)0.37167 (15)0.0313 (5)
N40.0494 (2)0.23528 (16)0.01253 (15)0.0468 (5)
N30.2287 (2)0.22294 (15)0.35983 (16)0.0441 (5)
C120.6636 (2)0.40590 (17)0.57451 (18)0.0378 (5)
N60.3696 (2)0.23105 (15)0.06785 (14)0.0385 (4)
C100.6353 (3)0.1663 (2)0.62129 (19)0.0439 (6)
H100.60120.09500.58400.053*
O40.3650 (2)0.27042 (15)0.32496 (17)0.0670 (6)
O30.1460 (2)0.26194 (15)0.39173 (19)0.0714 (6)
C10.6126 (3)0.4296 (2)0.4231 (2)0.0499 (6)
H10.57660.40190.35380.060*
C40.7204 (3)0.51567 (18)0.6283 (2)0.0519 (7)
C20.6685 (3)0.5404 (2)0.4716 (3)0.0638 (9)
H20.66930.58460.43450.077*
C300.0212 (3)0.5308 (2)0.3741 (2)0.0546 (7)
H300.04330.57140.43920.066*
C290.0876 (3)0.4210 (2)0.34357 (18)0.0446 (6)
H290.06520.38930.38940.054*
C350.3611 (3)0.3823 (2)0.0185 (2)0.0549 (7)
C70.7351 (3)0.3753 (2)0.73312 (19)0.0490 (6)
C80.7495 (3)0.3033 (3)0.7796 (2)0.0589 (7)
H80.79250.32660.84860.071*
C30.7210 (3)0.5818 (2)0.5727 (3)0.0640 (9)
H30.75760.65460.60500.077*
C310.0517 (3)0.5781 (2)0.3078 (2)0.0567 (8)
H310.00580.65170.32680.068*
C90.7013 (3)0.1998 (2)0.7248 (2)0.0579 (7)
H90.71190.15190.75530.070*
C50.7804 (3)0.5524 (2)0.7353 (2)0.0667 (9)
H50.81520.62420.77120.080*
C340.2953 (4)0.4958 (3)0.0461 (3)0.0738 (9)
H340.32310.52600.00010.089*
C60.7876 (3)0.4866 (2)0.7845 (2)0.0639 (8)
H60.82770.51360.85380.077*
C330.1950 (4)0.5589 (2)0.1364 (3)0.0714 (9)
H330.15220.63200.15130.086*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O60.0319 (8)0.0502 (10)0.0609 (10)0.0265 (7)0.0254 (7)0.0257 (8)
O120.0266 (8)0.0531 (10)0.0569 (10)0.0196 (7)0.0187 (7)0.0144 (8)
O100.0729 (13)0.0406 (10)0.0867 (15)0.0330 (10)0.0180 (11)0.0098 (10)
O90.0470 (12)0.0384 (11)0.1048 (17)0.0026 (9)0.0096 (11)0.0006 (11)
C400.0331 (11)0.0355 (12)0.0498 (13)0.0176 (10)0.0188 (10)0.0152 (10)
C390.0351 (12)0.0439 (13)0.0448 (13)0.0198 (10)0.0175 (10)0.0190 (10)
C380.0410 (13)0.0538 (15)0.0413 (13)0.0129 (12)0.0096 (11)0.0077 (11)
C370.0500 (16)0.093 (2)0.0393 (15)0.0191 (16)0.0061 (12)0.0194 (15)
C360.0623 (19)0.101 (3)0.0581 (18)0.0363 (19)0.0194 (15)0.0475 (18)
Mn10.02107 (15)0.02731 (17)0.04103 (19)0.01103 (13)0.01000 (13)0.01304 (13)
Mn20.02599 (17)0.03180 (18)0.04039 (19)0.01458 (14)0.01036 (13)0.01137 (14)
O50.0333 (8)0.0370 (8)0.0446 (9)0.0201 (7)0.0102 (7)0.0181 (7)
O110.0267 (7)0.0370 (8)0.0413 (8)0.0108 (7)0.0039 (6)0.0134 (7)
O10.0266 (8)0.0334 (9)0.0736 (12)0.0121 (7)0.0180 (8)0.0190 (8)
O80.0402 (9)0.0402 (10)0.0769 (12)0.0239 (8)0.0249 (9)0.0170 (9)
N50.0273 (9)0.0353 (10)0.0409 (10)0.0133 (8)0.0123 (8)0.0099 (8)
C140.0232 (10)0.0341 (11)0.0315 (10)0.0142 (9)0.0111 (8)0.0154 (9)
N10.0282 (9)0.0327 (10)0.0608 (12)0.0155 (8)0.0189 (9)0.0242 (9)
C170.0226 (10)0.0362 (12)0.0368 (11)0.0125 (9)0.0116 (8)0.0136 (9)
O20.0280 (8)0.0415 (9)0.0746 (12)0.0215 (7)0.0233 (8)0.0252 (8)
C220.0246 (10)0.0351 (11)0.0287 (10)0.0149 (9)0.0091 (8)0.0119 (9)
C240.0244 (10)0.0361 (11)0.0291 (10)0.0150 (9)0.0096 (8)0.0139 (9)
N20.0292 (9)0.0283 (9)0.0435 (10)0.0126 (8)0.0107 (8)0.0133 (8)
C190.0243 (10)0.0307 (11)0.0334 (10)0.0135 (8)0.0100 (8)0.0149 (9)
C210.0272 (11)0.0426 (13)0.0310 (11)0.0191 (10)0.0082 (8)0.0109 (9)
C150.0304 (10)0.0336 (11)0.0391 (11)0.0194 (9)0.0154 (9)0.0159 (9)
C180.0248 (10)0.0363 (11)0.0291 (10)0.0170 (9)0.0101 (8)0.0134 (9)
C270.0224 (10)0.0378 (12)0.0329 (11)0.0099 (9)0.0080 (8)0.0127 (9)
C260.0327 (11)0.0284 (11)0.0318 (11)0.0120 (9)0.0102 (9)0.0099 (9)
C250.0321 (11)0.0399 (12)0.0325 (11)0.0225 (10)0.0142 (9)0.0154 (9)
O70.0229 (8)0.0509 (10)0.0599 (10)0.0172 (7)0.0119 (7)0.0056 (8)
C160.0311 (11)0.0279 (11)0.0371 (11)0.0129 (9)0.0145 (9)0.0129 (9)
C130.0235 (10)0.0391 (12)0.0369 (11)0.0154 (9)0.0110 (8)0.0194 (9)
C230.0253 (10)0.0319 (11)0.0297 (10)0.0126 (9)0.0094 (8)0.0094 (8)
C320.0480 (14)0.0356 (13)0.0738 (18)0.0196 (11)0.0302 (13)0.0194 (13)
C110.0246 (10)0.0307 (11)0.0489 (13)0.0094 (9)0.0115 (9)0.0082 (10)
C280.0242 (10)0.0412 (12)0.0401 (12)0.0163 (9)0.0111 (9)0.0208 (10)
C200.0260 (10)0.0379 (12)0.0333 (11)0.0188 (9)0.0081 (8)0.0117 (9)
N40.0497 (13)0.0338 (11)0.0506 (12)0.0151 (10)0.0138 (10)0.0109 (9)
N30.0424 (12)0.0325 (10)0.0636 (13)0.0160 (9)0.0270 (10)0.0187 (9)
C120.0248 (10)0.0259 (11)0.0588 (15)0.0092 (9)0.0148 (10)0.0097 (10)
N60.0327 (10)0.0395 (11)0.0397 (10)0.0141 (8)0.0106 (8)0.0111 (8)
C100.0426 (13)0.0416 (13)0.0533 (14)0.0207 (11)0.0156 (11)0.0225 (11)
O40.0408 (11)0.0435 (11)0.1003 (16)0.0024 (9)0.0177 (10)0.0266 (10)
O30.0638 (12)0.0459 (11)0.135 (2)0.0354 (10)0.0515 (13)0.0480 (12)
C10.0404 (13)0.0486 (15)0.0824 (19)0.0252 (12)0.0301 (13)0.0409 (14)
C40.0338 (12)0.0274 (12)0.089 (2)0.0111 (10)0.0233 (13)0.0107 (13)
C20.0478 (15)0.0481 (16)0.128 (3)0.0280 (13)0.0463 (18)0.0592 (19)
C300.0397 (14)0.0488 (15)0.0542 (16)0.0086 (12)0.0180 (12)0.0037 (13)
C290.0340 (12)0.0486 (14)0.0428 (13)0.0132 (11)0.0131 (10)0.0083 (11)
C350.0543 (16)0.0678 (18)0.0600 (17)0.0316 (14)0.0250 (13)0.0371 (14)
C70.0329 (12)0.0509 (15)0.0488 (14)0.0114 (11)0.0128 (11)0.0039 (12)
C80.0495 (15)0.080 (2)0.0447 (15)0.0256 (15)0.0141 (12)0.0220 (15)
C30.0438 (15)0.0281 (13)0.125 (3)0.0159 (12)0.0350 (17)0.0273 (16)
C310.0475 (15)0.0306 (13)0.081 (2)0.0108 (11)0.0329 (14)0.0002 (13)
C90.0571 (16)0.0697 (19)0.0569 (16)0.0292 (15)0.0191 (13)0.0351 (15)
C50.0463 (16)0.0359 (15)0.088 (2)0.0083 (12)0.0192 (15)0.0120 (15)
C340.084 (2)0.072 (2)0.093 (2)0.0406 (19)0.035 (2)0.058 (2)
C60.0556 (17)0.0533 (17)0.0577 (17)0.0140 (14)0.0161 (14)0.0060 (14)
C330.081 (2)0.0463 (17)0.105 (3)0.0306 (16)0.044 (2)0.0396 (18)
Geometric parameters (Å, º) top
O6—C201.249 (3)C24—C231.391 (3)
O6—Mn1i2.1498 (15)C24—C281.504 (3)
O12—C281.250 (3)N2—C101.323 (3)
O12—Mn2ii2.1652 (15)N2—C111.357 (3)
O10—N41.216 (3)C19—C181.390 (3)
O9—N41.216 (3)C19—H190.9300
C40—N51.353 (3)C21—O71.254 (3)
C40—C321.406 (3)C15—C161.383 (3)
C40—C391.440 (3)C15—H150.9300
C39—N61.357 (3)C18—C201.505 (3)
C39—C351.400 (3)C27—C261.383 (3)
C38—N61.322 (3)C27—H270.9300
C38—C371.393 (4)C26—C251.382 (3)
C38—H380.9300C26—N41.472 (3)
C37—C361.355 (4)C25—H250.9300
C37—H370.9300C16—N31.467 (3)
C36—C351.405 (4)C23—H230.9300
C36—H360.9300C32—C311.405 (4)
Mn1—O6ii2.1498 (15)C32—C331.426 (4)
Mn1—O112.1508 (15)C11—C71.409 (3)
Mn1—N22.2531 (18)C11—C121.434 (3)
Mn1—N12.2584 (18)N3—O41.216 (3)
Mn1—O12.2661 (15)N3—O31.227 (3)
Mn1—O22.2879 (15)C12—C41.414 (3)
Mn1—C132.600 (2)C10—C91.399 (4)
Mn2—O52.1608 (15)C10—H100.9300
Mn2—O12i2.1652 (15)C1—C21.415 (4)
Mn2—O72.1938 (16)C1—H10.9300
Mn2—N52.2411 (18)C4—C31.392 (4)
Mn2—N62.2697 (19)C4—C51.437 (4)
Mn2—O82.3830 (16)C2—C31.356 (4)
Mn2—C212.615 (2)C2—H20.9300
O5—C201.261 (3)C30—C311.356 (4)
O11—C281.263 (3)C30—C291.384 (4)
O1—C131.251 (3)C30—H300.9300
O8—C211.242 (3)C29—H290.9300
N5—C291.322 (3)C35—C341.435 (4)
C14—C191.385 (3)C7—C81.399 (4)
C14—C151.388 (3)C7—C61.431 (4)
C14—C131.509 (3)C8—C91.353 (4)
N1—C11.324 (3)C8—H80.9300
N1—C121.359 (3)C3—H30.9300
C17—C161.377 (3)C31—H310.9300
C17—C181.381 (3)C9—H90.9300
C17—H170.9300C5—C61.331 (4)
O2—C131.247 (2)C5—H50.9300
C22—C271.383 (3)C34—C331.337 (5)
C22—C231.389 (3)C34—H340.9300
C22—C211.508 (3)C6—H60.9300
C24—C251.383 (3)C33—H330.9300
C20—O6—Mn1i115.68 (14)C17—C18—C19119.77 (18)
C28—O12—Mn2ii112.02 (14)C17—C18—C20119.94 (18)
N5—C40—C32122.6 (2)C19—C18—C20120.29 (18)
N5—C40—C39117.5 (2)C22—C27—C26118.63 (18)
C32—C40—C39119.9 (2)C22—C27—H27120.7
N6—C39—C35123.5 (2)C26—C27—H27120.7
N6—C39—C40117.1 (2)C25—C26—C27122.58 (19)
C35—C39—C40119.4 (2)C25—C26—N4118.62 (19)
N6—C38—C37122.9 (3)C27—C26—N4118.80 (19)
N6—C38—H38118.6C26—C25—C24118.43 (19)
C37—C38—H38118.6C26—C25—H25120.8
C36—C37—C38119.6 (3)C24—C25—H25120.8
C36—C37—H37120.2C21—O7—Mn294.70 (13)
C38—C37—H37120.2C17—C16—C15122.94 (19)
C37—C36—C35119.9 (3)C17—C16—N3117.91 (18)
C37—C36—H36120.0C15—C16—N3119.14 (19)
C35—C36—H36120.0O2—C13—O1122.15 (18)
O6ii—Mn1—O1196.15 (6)O2—C13—C14119.64 (19)
O6ii—Mn1—N285.35 (6)O1—C13—C14118.21 (18)
O11—Mn1—N2158.99 (6)O2—C13—Mn161.62 (11)
O6ii—Mn1—N1128.76 (6)O1—C13—Mn160.62 (10)
O11—Mn1—N189.95 (6)C14—C13—Mn1177.21 (14)
N2—Mn1—N173.18 (7)C22—C23—C24120.76 (19)
O6ii—Mn1—O1141.93 (6)C22—C23—H23119.6
O11—Mn1—O194.75 (6)C24—C23—H23119.6
N2—Mn1—O196.89 (6)C31—C32—C40116.7 (3)
N1—Mn1—O187.53 (6)C31—C32—C33124.4 (3)
O6ii—Mn1—O284.74 (6)C40—C32—C33118.9 (3)
O11—Mn1—O2100.62 (6)N2—C11—C7122.2 (2)
N2—Mn1—O2100.39 (6)N2—C11—C12117.1 (2)
N1—Mn1—O2143.83 (6)C7—C11—C12120.6 (2)
O1—Mn1—O257.39 (5)O12—C28—O11123.81 (19)
O6ii—Mn1—C13113.37 (6)O12—C28—C24118.37 (19)
O11—Mn1—C1397.86 (6)O11—C28—C24117.83 (18)
N2—Mn1—C13100.76 (6)O6—C20—O5124.43 (19)
N1—Mn1—C13116.04 (7)O6—C20—C18117.77 (19)
O1—Mn1—C1328.76 (6)O5—C20—C18117.80 (18)
O2—Mn1—C1328.66 (6)O9—N4—O10123.5 (2)
O5—Mn2—O12i97.51 (6)O9—N4—C26118.1 (2)
O5—Mn2—O798.78 (6)O10—N4—C26118.4 (2)
O12i—Mn2—O785.02 (6)O4—N3—O3123.7 (2)
O5—Mn2—N585.80 (6)O4—N3—C16118.8 (2)
O12i—Mn2—N5130.44 (6)O3—N3—C16117.42 (19)
O7—Mn2—N5143.60 (6)N1—C12—C4123.1 (2)
O5—Mn2—N6152.61 (6)N1—C12—C11117.88 (19)
O12i—Mn2—N683.95 (7)C4—C12—C11119.0 (2)
O7—Mn2—N6108.58 (7)C38—N6—C39117.6 (2)
N5—Mn2—N673.03 (7)C38—N6—Mn2126.66 (17)
O5—Mn2—O893.04 (6)C39—N6—Mn2115.68 (14)
O12i—Mn2—O8141.58 (6)N2—C10—C9123.2 (2)
O7—Mn2—O856.82 (6)N2—C10—H10118.4
N5—Mn2—O886.99 (6)C9—C10—H10118.4
N6—Mn2—O8102.76 (7)N1—C1—C2122.2 (3)
O5—Mn2—C2195.56 (6)N1—C1—H1118.9
O12i—Mn2—C21113.56 (7)C2—C1—H1118.9
O7—Mn2—C2128.56 (6)C3—C4—C12116.9 (3)
N5—Mn2—C21115.28 (7)C3—C4—C5124.3 (3)
N6—Mn2—C21108.99 (7)C12—C4—C5118.6 (3)
O8—Mn2—C2128.30 (6)C3—C2—C1119.5 (3)
C20—O5—Mn2118.39 (13)C3—C2—H2120.3
C28—O11—Mn1118.01 (13)C1—C2—H2120.3
C13—O1—Mn190.62 (12)C31—C30—C29119.0 (2)
C21—O8—Mn286.27 (12)C31—C30—H30120.5
C29—N5—C40118.1 (2)C29—C30—H30120.5
C29—N5—Mn2125.24 (17)N5—C29—C30123.3 (3)
C40—N5—Mn2116.54 (14)N5—C29—H29118.3
C19—C14—C15119.72 (18)C30—C29—H29118.3
C19—C14—C13120.20 (18)C39—C35—C36116.5 (3)
C15—C14—C13120.08 (18)C39—C35—C34119.0 (3)
C1—N1—C12118.1 (2)C36—C35—C34124.5 (3)
C1—N1—Mn1126.84 (18)C8—C7—C11117.3 (2)
C12—N1—Mn1114.78 (14)C8—C7—C6124.3 (3)
C16—C17—C18118.46 (18)C11—C7—C6118.4 (3)
C16—C17—H17120.8C9—C8—C7120.4 (3)
C18—C17—H17120.8C9—C8—H8119.8
C13—O2—Mn189.73 (12)C7—C8—H8119.8
C27—C22—C23119.70 (19)C2—C3—C4120.2 (3)
C27—C22—C21120.40 (18)C2—C3—H3119.9
C23—C22—C21119.90 (18)C4—C3—H3119.9
C25—C24—C23119.88 (18)C30—C31—C32120.2 (2)
C25—C24—C28120.45 (18)C30—C31—H31119.9
C23—C24—C28119.65 (18)C32—C31—H31119.9
C10—N2—C11118.2 (2)C8—C9—C10118.7 (3)
C10—N2—Mn1126.20 (15)C8—C9—H9120.6
C11—N2—Mn1115.51 (14)C10—C9—H9120.6
C14—C19—C18120.95 (19)C6—C5—C4121.9 (2)
C14—C19—H19119.5C6—C5—H5119.0
C18—C19—H19119.5C4—C5—H5119.0
O8—C21—O7122.0 (2)C33—C34—C35121.4 (3)
O8—C21—C22119.48 (18)C33—C34—H34119.3
O7—C21—C22118.48 (19)C35—C34—H34119.3
O8—C21—Mn265.43 (11)C5—C6—C7121.4 (3)
O7—C21—Mn256.74 (11)C5—C6—H6119.3
C22—C21—Mn2173.29 (16)C7—C6—H6119.3
C16—C15—C14118.16 (19)C34—C33—C32121.4 (3)
C16—C15—H15120.9C34—C33—H33119.3
C14—C15—H15120.9C32—C33—H33119.3
N5—C40—C39—N62.9 (3)Mn1—O1—C13—C14177.10 (16)
C32—C40—C39—N6178.1 (2)C19—C14—C13—O2169.39 (19)
N5—C40—C39—C35176.4 (2)C15—C14—C13—O211.3 (3)
C32—C40—C39—C352.6 (3)C19—C14—C13—O111.1 (3)
N6—C38—C37—C361.3 (4)C15—C14—C13—O1168.2 (2)
C38—C37—C36—C351.2 (5)C19—C14—C13—Mn153 (3)
O12i—Mn2—O5—C2040.49 (15)C15—C14—C13—Mn1127 (3)
O7—Mn2—O5—C2045.60 (15)O6ii—Mn1—C13—O22.45 (15)
N5—Mn2—O5—C20170.76 (15)O11—Mn1—C13—O297.78 (13)
N6—Mn2—O5—C20131.83 (16)N2—Mn1—C13—O292.00 (13)
O8—Mn2—O5—C20102.49 (14)N1—Mn1—C13—O2168.40 (13)
C21—Mn2—O5—C2074.21 (15)O1—Mn1—C13—O2176.7 (2)
O6ii—Mn1—O11—C2847.12 (15)O6ii—Mn1—C13—O1174.24 (12)
N2—Mn1—O11—C28140.16 (18)O11—Mn1—C13—O185.53 (13)
N1—Mn1—O11—C28176.14 (15)N2—Mn1—C13—O184.69 (13)
O1—Mn1—O11—C2896.34 (15)N1—Mn1—C13—O18.28 (15)
O2—Mn1—O11—C2838.66 (15)O2—Mn1—C13—O1176.7 (2)
C13—Mn1—O11—C2867.57 (15)O6ii—Mn1—C13—C14120 (3)
O6ii—Mn1—O1—C138.59 (18)O11—Mn1—C13—C1420 (3)
O11—Mn1—O1—C1397.70 (13)N2—Mn1—C13—C14151 (3)
N2—Mn1—O1—C1399.83 (13)N1—Mn1—C13—C1474 (3)
N1—Mn1—O1—C13172.56 (14)O1—Mn1—C13—C1466 (3)
O2—Mn1—O1—C131.89 (12)O2—Mn1—C13—C14117 (3)
O5—Mn2—O8—C2196.07 (13)C27—C22—C23—C241.1 (3)
O12i—Mn2—O8—C2110.06 (19)C21—C22—C23—C24179.07 (18)
O7—Mn2—O8—C212.43 (13)C25—C24—C23—C220.3 (3)
N5—Mn2—O8—C21178.30 (14)C28—C24—C23—C22178.33 (18)
N6—Mn2—O8—C21106.46 (14)N5—C40—C32—C311.0 (3)
C32—C40—N5—C290.1 (3)C39—C40—C32—C31180.0 (2)
C39—C40—N5—C29179.0 (2)N5—C40—C32—C33178.8 (2)
C32—C40—N5—Mn2177.03 (17)C39—C40—C32—C330.2 (4)
C39—C40—N5—Mn24.0 (2)C10—N2—C11—C71.7 (3)
O5—Mn2—N5—C2918.08 (18)Mn1—N2—C11—C7175.40 (17)
O12i—Mn2—N5—C29114.38 (18)C10—N2—C11—C12174.33 (19)
O7—Mn2—N5—C2981.0 (2)Mn1—N2—C11—C128.6 (2)
N6—Mn2—N5—C29179.51 (19)Mn2ii—O12—C28—O1112.1 (3)
O8—Mn2—N5—C2975.20 (18)Mn2ii—O12—C28—C24168.14 (14)
C21—Mn2—N5—C2976.09 (19)Mn1—O11—C28—O1295.4 (2)
O5—Mn2—N5—C40165.19 (15)Mn1—O11—C28—C2484.41 (19)
O12i—Mn2—N5—C4068.89 (17)C25—C24—C28—O1222.4 (3)
O7—Mn2—N5—C4095.70 (17)C23—C24—C28—O12159.0 (2)
N6—Mn2—N5—C402.78 (15)C25—C24—C28—O11157.41 (19)
O8—Mn2—N5—C40101.53 (15)C23—C24—C28—O1121.2 (3)
C21—Mn2—N5—C40100.64 (15)Mn1i—O6—C20—O59.5 (3)
O6ii—Mn1—N1—C1106.59 (18)Mn1i—O6—C20—C18170.71 (13)
O11—Mn1—N1—C18.73 (18)Mn2—O5—C20—O692.3 (2)
N2—Mn1—N1—C1176.01 (19)Mn2—O5—C20—C1887.53 (18)
O1—Mn1—N1—C186.03 (18)C17—C18—C20—O619.0 (3)
O2—Mn1—N1—C199.4 (2)C19—C18—C20—O6161.27 (19)
C13—Mn1—N1—C190.01 (19)C17—C18—C20—O5160.86 (19)
O6ii—Mn1—N1—C1279.94 (16)C19—C18—C20—O518.9 (3)
O11—Mn1—N1—C12177.81 (14)C25—C26—N4—O9170.6 (2)
N2—Mn1—N1—C1210.52 (14)C27—C26—N4—O99.8 (3)
O1—Mn1—N1—C1287.43 (15)C25—C26—N4—O109.8 (3)
O2—Mn1—N1—C1274.05 (18)C27—C26—N4—O10169.8 (2)
C13—Mn1—N1—C1283.46 (15)C17—C16—N3—O421.2 (3)
O6ii—Mn1—O2—C13177.74 (14)C15—C16—N3—O4159.6 (2)
O11—Mn1—O2—C1386.96 (13)C17—C16—N3—O3157.0 (2)
N2—Mn1—O2—C1393.47 (13)C15—C16—N3—O322.2 (3)
N1—Mn1—O2—C1317.82 (19)C1—N1—C12—C40.7 (3)
O1—Mn1—O2—C131.89 (12)Mn1—N1—C12—C4173.37 (17)
O6ii—Mn1—N2—C1040.21 (18)C1—N1—C12—C11175.89 (19)
O11—Mn1—N2—C10135.3 (2)Mn1—N1—C12—C1110.0 (2)
N1—Mn1—N2—C10173.1 (2)N2—C11—C12—N11.0 (3)
O1—Mn1—N2—C10101.58 (18)C7—C11—C12—N1175.04 (19)
O2—Mn1—N2—C1043.56 (19)N2—C11—C12—C4177.75 (19)
C13—Mn1—N2—C1072.73 (19)C7—C11—C12—C41.7 (3)
O6ii—Mn1—N2—C11143.00 (15)C37—C38—N6—C390.1 (4)
O11—Mn1—N2—C1148.0 (3)C37—C38—N6—Mn2177.1 (2)
N1—Mn1—N2—C1110.10 (14)C35—C39—N6—C381.5 (3)
O1—Mn1—N2—C1175.21 (15)C40—C39—N6—C38177.7 (2)
O2—Mn1—N2—C11133.23 (14)C35—C39—N6—Mn2178.89 (19)
C13—Mn1—N2—C11104.06 (15)C40—C39—N6—Mn20.4 (2)
C15—C14—C19—C180.9 (3)O5—Mn2—N6—C38134.94 (19)
C13—C14—C19—C18178.42 (18)O12i—Mn2—N6—C3840.3 (2)
Mn2—O8—C21—O74.2 (2)O7—Mn2—N6—C3842.4 (2)
Mn2—O8—C21—C22174.86 (17)N5—Mn2—N6—C38175.9 (2)
C27—C22—C21—O8170.9 (2)O8—Mn2—N6—C38101.3 (2)
C23—C22—C21—O89.3 (3)C21—Mn2—N6—C3872.6 (2)
C27—C22—C21—O710.0 (3)O5—Mn2—N6—C3942.1 (2)
C23—C22—C21—O7169.81 (19)O12i—Mn2—N6—C39136.80 (16)
C27—C22—C21—Mn253.3 (13)O7—Mn2—N6—C39140.54 (15)
C23—C22—C21—Mn2126.5 (12)N5—Mn2—N6—C391.21 (15)
O5—Mn2—C21—O886.09 (14)O8—Mn2—N6—C3981.60 (16)
O12i—Mn2—C21—O8173.20 (13)C21—Mn2—N6—C39110.34 (16)
O7—Mn2—C21—O8175.7 (2)C11—N2—C10—C90.5 (3)
N5—Mn2—C21—O81.88 (15)Mn1—N2—C10—C9176.24 (18)
N6—Mn2—C21—O881.57 (14)C12—N1—C1—C20.3 (3)
O5—Mn2—C21—O798.17 (14)Mn1—N1—C1—C2172.97 (17)
O12i—Mn2—C21—O72.53 (15)N1—C12—C4—C30.6 (3)
N5—Mn2—C21—O7173.86 (13)C11—C12—C4—C3175.9 (2)
N6—Mn2—C21—O794.16 (14)N1—C12—C4—C5177.4 (2)
O8—Mn2—C21—O7175.7 (2)C11—C12—C4—C50.8 (3)
O5—Mn2—C21—C2252.1 (12)N1—C1—C2—C30.2 (4)
O12i—Mn2—C21—C2248.6 (12)C40—N5—C29—C300.2 (3)
O7—Mn2—C21—C2246.1 (12)Mn2—N5—C29—C30176.50 (18)
N5—Mn2—C21—C22140.0 (12)C31—C30—C29—N50.6 (4)
N6—Mn2—C21—C22140.3 (12)N6—C39—C35—C361.6 (4)
O8—Mn2—C21—C22138.2 (13)C40—C39—C35—C36177.7 (2)
C19—C14—C15—C160.8 (3)N6—C39—C35—C34177.9 (2)
C13—C14—C15—C16178.59 (19)C40—C39—C35—C342.8 (4)
C16—C17—C18—C190.7 (3)C37—C36—C35—C390.1 (4)
C16—C17—C18—C20179.02 (18)C37—C36—C35—C34179.3 (3)
C14—C19—C18—C170.2 (3)N2—C11—C7—C81.6 (3)
C14—C19—C18—C20179.92 (18)C12—C11—C7—C8174.3 (2)
C23—C22—C27—C261.1 (3)N2—C11—C7—C6179.1 (2)
C21—C22—C27—C26179.01 (19)C12—C11—C7—C63.2 (3)
C22—C27—C26—C250.2 (3)C11—C7—C8—C90.3 (4)
C22—C27—C26—N4179.41 (19)C6—C7—C8—C9177.6 (3)
C27—C26—C25—C241.6 (3)C1—C2—C3—C40.2 (4)
N4—C26—C25—C24178.03 (19)C12—C4—C3—C20.1 (4)
C23—C24—C25—C261.6 (3)C5—C4—C3—C2176.7 (3)
C28—C24—C25—C26177.04 (19)C29—C30—C31—C321.7 (4)
O8—C21—O7—Mn24.6 (2)C40—C32—C31—C301.9 (4)
C22—C21—O7—Mn2174.50 (16)C33—C32—C31—C30177.9 (3)
O5—Mn2—O7—C2185.47 (14)C7—C8—C9—C100.8 (4)
O12i—Mn2—O7—C21177.67 (14)N2—C10—C9—C80.8 (4)
N5—Mn2—O7—C219.4 (2)C3—C4—C5—C6174.7 (3)
N6—Mn2—O7—C2195.77 (14)C12—C4—C5—C61.9 (4)
O8—Mn2—O7—C212.41 (12)C39—C35—C34—C330.6 (5)
C18—C17—C16—C150.9 (3)C36—C35—C34—C33180.0 (3)
C18—C17—C16—N3179.89 (19)C4—C5—C6—C70.3 (4)
C14—C15—C16—C170.2 (3)C8—C7—C6—C5175.1 (3)
C14—C15—C16—N3179.34 (19)C11—C7—C6—C52.3 (4)
Mn1—O2—C13—O13.4 (2)C35—C34—C33—C321.9 (5)
Mn1—O2—C13—C14177.14 (17)C31—C32—C33—C34177.7 (3)
Mn1—O1—C13—O23.4 (2)C40—C32—C33—C342.1 (4)
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···O1iii0.932.503.267 (4)140
C10—H10···O2iv0.932.543.210 (3)129
C29—H29···O50.932.513.079 (3)119
C31—H31···O3v0.932.382.888 (4)114
C38—H38···O7vi0.932.453.121 (3)129
C38—H38···O12vii0.932.603.351 (3)139
Symmetry codes: (iii) x+1, y+1, z+1; (iv) x+1, y, z+1; (v) x, y+1, z; (vi) x1, y, z; (vii) x, y, z.

Experimental details

Crystal data
Chemical formula[Mn2(C8H3NO6)2(C12H8N2)2]
Mr888.52
Crystal system, space groupTriclinic, P1
Temperature (K)293
a, b, c (Å)10.0602 (1), 14.3435 (2), 14.6637 (2)
α, β, γ (°)104.052 (1), 102.633 (1), 110.460 (1)
V3)1812.69 (4)
Z2
Radiation typeMo Kα
µ (mm1)0.78
Crystal size (mm)0.28 × 0.23 × 0.19
Data collection
DiffractometerBruker SMART CCD
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2002)
Tmin, Tmax0.82, 0.90
No. of measured, independent and
observed [I > 2σ(I)] reflections
19255, 6733, 5771
Rint0.021
(sin θ/λ)max1)0.606
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.032, 0.082, 1.05
No. of reflections6733
No. of parameters541
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.38, 0.28

Computer programs: SMART (Bruker, 2002), SAINT (Bruker, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 1997), PLATON (Spek, 2009).

Selected bond lengths (Å) top
Mn1—O6i2.1498 (15)Mn2—O52.1608 (15)
Mn1—O112.1508 (15)Mn2—O12ii2.1652 (15)
Mn1—N22.2531 (18)Mn2—O72.1938 (16)
Mn1—N12.2584 (18)Mn2—N52.2411 (18)
Mn1—O12.2661 (15)Mn2—N62.2697 (19)
Mn1—O22.2879 (15)Mn2—O82.3830 (16)
Symmetry codes: (i) x+1, y, z; (ii) x1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···O1iii0.93002.50003.267 (4)140.00
C10—H10···O2iv0.93002.54003.210 (3)129.00
C29—H29···O50.93002.51003.079 (3)119.00
C31—H31···O3v0.93002.38002.888 (4)114.00
C38—H38···O7vi0.93002.45003.121 (3)129.00
C38—H38···O12vii0.93002.60003.351 (3)139.00
Symmetry codes: (iii) x+1, y+1, z+1; (iv) x+1, y, z+1; (v) x, y+1, z; (vi) x1, y, z; (vii) x, y, z.
 

References

First citationBruker (2002). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.
First citationFarrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  CrossRef IUCr Journals
First citationHe, H.-Y., Zhou, Y.-L., Hong, Y. & Zhu, L.-G. (2005). J. Mol. Struct. 737, 97–101.  Web of Science CSD CrossRef CAS
First citationHe, H.-Y., Zhou, Y.-L. & Zhu, L.-G. (2004). Acta Cryst. C60, m569–m571.  Web of Science CSD CrossRef CAS IUCr Journals
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals
First citationSpek, A. L. (2009). Acta Cryst. D65, 148–155.  Web of Science CrossRef CAS IUCr Journals
First citationSun, D., Cao, R., Sun, Y., Li, X., Bi, W., Hong, M. & Zhao, Y. (2003). Eur. J. Inorg. Chem. pp. 94–98.  CSD CrossRef
First citationWu, C.-D., Lu, C.-Z., Yang, W.-B., Zhuang, H.-H. & Huang, J.-S. (2002). Inorg. Chem. 41, 3302–3307.  Web of Science CSD CrossRef PubMed CAS

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