Literature DB >> 21200504

Bis{μ-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato}bis-[(benzoato-κO)manganese(III)] dihydrate.

V S Thampidas, T Radhakrishnan, Robert D Pike.   

Abstract

The title compound, [Mn(2)(C(18)H(18)N(2)O(2))(2)(C(7)H(5)O(2))(2)]·2H(2)O, was synthesized by the reaction between manganese(II) benzoate and the Schiff base generated in situ by the condensation of ethane-1,2-diamine and o-hydroxy-aceto-phen-one. The Jahn-Teller-distorted manganese(III) ions of the centrosymmetric dimer are connected through phen-oxy bridges. Hydrogen-bonding inter-actions between the uncoord-in-ated C=O of the benzoate and uncoordinated water mol-ecules link the dimers into a chain running parallel to the c axis.

Entities:  

Year:  2007        PMID： 21200504      PMCID： PMC2915092          DOI： 10.1107/S160053680706446X

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For related literature, see: Antonyuk et al. (2000 ▶); Aurengzeb et al. (1992 ▶); Aurengzeb et al. (1994 ▶); Barynin et al. (2001 ▶); Christou (1989 ▶); Hulme et al. (1997 ▶); Meier et al. (1996 ▶); Pecoraro & Hsieh (2000 ▶); Yocum & Pecoraro (1999 ▶); Stemmler et al. (1997 ▶); Zhang & Janiak (2001 ▶); Zouni et al. (2001 ▶).

Experimental

Crystal data

[Mn2(C18H18N2O2)2(C7H5O2)2]·2H2O M = 976.82 Monoclinic, a = 12.9376 (4) Å b = 12.3983 (4) Å c = 13.8470 (4) Å β = 103.702 (2)° V = 2157.91 (11) Å3 Z = 2 Cu Kα radiation μ = 5.33 mm−1 T = 100 (2) K 0.23 × 0.22 × 0.03 mm

Data collection

Bruker APEXII CCD diffractometer Absorption correction: numerical(SADABS; Sheldrick, 2004 ▶) T min = 0.374, T max = 0.857 21968 measured reflections 3711 independent reflections 3465 reflections with I > 2σ(I) R int = 0.041

Refinement

R[F 2 > 2σ(F 2)] = 0.027 wR(F 2) = 0.068 S = 1.03 3711 reflections 398 parameters All H-atom parameters refined Δρmax = 0.24 e Å−3 Δρmin = −0.36 e Å−3 Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT-Plus (Bruker, 2004 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and Mercury (Macrae et al., 2006 ▶); software used to prepare material for publication: SHELXL97 and PRPKAPPA (Ferguson, 1999 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053680706446X/hj2002sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S160053680706446X/hj2002Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Mn2(C18H18N2O2)2(C7H5O2)2]·2H2OF(000) = 1016
Mr = 976.82Dx = 1.503 Mg m−3
Monoclinic, P21/cCu Kα radiation, λ = 1.54178 Å
Hall symbol: -P 2ybcCell parameters from 218 reflections
a = 12.9376 (4) Åθ = 9.6–70.3°
b = 12.3983 (4) ŵ = 5.33 mm−1
c = 13.8470 (4) ÅT = 100 K
β = 103.702 (2)°Plate, green
V = 2157.91 (11) Å30.23 × 0.22 × 0.03 mm
Z = 2
Bruker APEXII CCD diffractometer3711 independent reflections
Radiation source: fine-focus sealed tube3465 reflections with I > 2σ(I)
graphiteRint = 0.041
ω and Phi scansθmax = 67.0°, θmin = 4.9°
Absorption correction: numerical (SADABS; Sheldrick, 2004)h = −15→15
Tmin = 0.374, Tmax = 0.857k = −14→14
21968 measured reflectionsl = −15→12
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.027Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.068All H-atom parameters refined
S = 1.03w = 1/[σ2(Fo2) + (0.0388P)2 + 0.9845P] where P = (Fo2 + 2Fc2)/3
3711 reflections(Δ/σ)max = 0.001
398 parametersΔρmax = 0.24 e Å−3
0 restraintsΔρmin = −0.36 e Å−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.
xyzUiso*/Ueq
Mn10.509469 (18)0.482743 (19)0.625826 (18)0.00737 (9)
O10.59764 (8)0.54044 (9)0.54335 (8)0.0097 (2)
O20.44338 (8)0.61250 (8)0.64417 (8)0.0115 (2)
O30.63962 (9)0.50305 (9)0.75151 (8)0.0141 (3)
O40.60249 (9)0.50899 (10)0.90102 (9)0.0171 (3)
O50.59404 (11)0.57505 (11)0.09578 (10)0.0243 (3)
N10.56577 (10)0.33741 (10)0.60493 (9)0.0097 (3)
N20.39511 (10)0.40011 (10)0.66981 (9)0.0093 (3)
C10.69961 (12)0.51025 (13)0.55995 (11)0.0095 (3)
C20.77582 (13)0.58879 (14)0.55177 (12)0.0123 (3)
C30.88167 (13)0.56196 (15)0.56395 (12)0.0149 (4)
C40.91550 (14)0.45594 (15)0.58562 (12)0.0165 (4)
C50.84191 (13)0.37768 (14)0.59350 (12)0.0146 (4)
C60.73315 (12)0.40178 (13)0.58058 (11)0.0103 (3)
C70.65666 (12)0.31506 (13)0.58595 (11)0.0100 (3)
C80.68401 (14)0.19971 (14)0.56750 (13)0.0133 (3)
C90.48612 (13)0.25258 (13)0.60535 (13)0.0134 (3)
C100.42002 (13)0.28324 (13)0.67791 (13)0.0129 (3)
C110.23512 (14)0.35696 (14)0.72628 (14)0.0155 (4)
C120.30861 (12)0.43524 (13)0.69174 (11)0.0102 (3)
C130.27896 (12)0.54987 (13)0.68234 (11)0.0109 (3)
C140.17770 (13)0.58263 (14)0.69292 (12)0.0134 (3)
C150.14654 (13)0.68915 (14)0.68857 (12)0.0148 (3)
C160.21835 (13)0.76876 (14)0.67560 (12)0.0135 (3)
C170.31734 (13)0.74033 (13)0.66321 (12)0.0119 (3)
C180.34894 (12)0.63105 (13)0.66258 (11)0.0097 (3)
C190.66321 (13)0.52194 (12)0.84366 (12)0.0106 (3)
C200.77494 (12)0.56330 (12)0.88745 (12)0.0110 (3)
C210.80612 (14)0.59426 (14)0.98683 (13)0.0164 (4)
C220.90820 (14)0.63329 (15)1.02608 (14)0.0213 (4)
C230.98022 (14)0.64194 (15)0.96662 (14)0.0204 (4)
C240.95039 (14)0.60999 (15)0.86776 (14)0.0193 (4)
C250.84822 (13)0.57172 (13)0.82813 (13)0.0146 (3)
H1W0.5942 (18)0.551 (2)0.040 (2)0.037 (7)*
H2W0.533 (2)0.551 (3)0.104 (2)0.063 (9)*
H20.7503 (14)0.6633 (16)0.5367 (13)0.014 (5)*
H30.9297 (16)0.6167 (16)0.5540 (14)0.018 (5)*
H40.9887 (17)0.4374 (17)0.5946 (15)0.024 (5)*
H50.8668 (14)0.3032 (16)0.6101 (13)0.016 (5)*
H8A0.6937 (16)0.1564 (17)0.6265 (16)0.026 (5)*
H8B0.6257 (15)0.1675 (16)0.5194 (15)0.017 (5)*
H8C0.7486 (16)0.1934 (16)0.5453 (14)0.020 (5)*
H9A0.5200 (15)0.1837 (17)0.6237 (13)0.018 (5)*
H9B0.4416 (14)0.2485 (15)0.5379 (13)0.011 (4)*
H10A0.4591 (15)0.2663 (16)0.7458 (15)0.020 (5)*
H10B0.3541 (15)0.2407 (16)0.6621 (13)0.016 (5)*
H11A0.1945 (16)0.3951 (17)0.7646 (16)0.026 (5)*
H11B0.1857 (17)0.3241 (18)0.6685 (16)0.029 (6)*
H11C0.2752 (16)0.3009 (17)0.7682 (15)0.023 (5)*
H140.1268 (17)0.5287 (17)0.7030 (15)0.022 (5)*
H150.0770 (15)0.7067 (15)0.6954 (13)0.012 (4)*
H160.1971 (15)0.8440 (17)0.6749 (14)0.018 (5)*
H170.3653 (15)0.7921 (16)0.6531 (14)0.016 (5)*
H210.7569 (15)0.5871 (15)1.0269 (14)0.016 (5)*
H220.9271 (16)0.6530 (17)1.0948 (16)0.028 (6)*
H231.0513 (18)0.6677 (18)0.9934 (16)0.032 (6)*
H241.0010 (16)0.6136 (16)0.8257 (15)0.024 (5)*
H250.8267 (14)0.5498 (15)0.7629 (15)0.014 (5)*
U11U22U33U12U13U23
Mn10.00810 (14)0.00576 (14)0.00858 (15)−0.00092 (9)0.00260 (10)0.00002 (9)
O10.0091 (5)0.0097 (5)0.0101 (6)−0.0008 (4)0.0022 (4)0.0011 (4)
O20.0117 (6)0.0078 (5)0.0165 (6)−0.0014 (4)0.0061 (4)−0.0006 (4)
O30.0144 (6)0.0169 (6)0.0100 (6)−0.0008 (5)0.0010 (5)−0.0019 (4)
O40.0162 (6)0.0227 (7)0.0134 (6)−0.0035 (5)0.0052 (5)−0.0022 (5)
O50.0229 (7)0.0358 (8)0.0151 (7)−0.0116 (6)0.0064 (5)−0.0064 (6)
N10.0119 (7)0.0080 (7)0.0089 (7)−0.0009 (5)0.0016 (5)0.0011 (5)
N20.0106 (6)0.0080 (7)0.0084 (7)−0.0010 (5)0.0004 (5)0.0005 (5)
C10.0114 (8)0.0140 (8)0.0032 (8)−0.0020 (6)0.0020 (6)−0.0024 (6)
C20.0136 (8)0.0137 (9)0.0093 (8)−0.0031 (7)0.0022 (6)−0.0010 (6)
C30.0130 (8)0.0213 (9)0.0110 (8)−0.0054 (7)0.0040 (6)−0.0021 (7)
C40.0108 (8)0.0252 (10)0.0137 (9)0.0013 (7)0.0034 (6)−0.0026 (7)
C50.0156 (8)0.0175 (9)0.0105 (8)0.0026 (7)0.0026 (6)−0.0007 (6)
C60.0128 (8)0.0136 (8)0.0045 (7)0.0003 (7)0.0021 (6)−0.0011 (6)
C70.0125 (8)0.0122 (8)0.0038 (7)0.0014 (6)−0.0009 (6)0.0010 (6)
C80.0162 (9)0.0114 (8)0.0127 (9)0.0023 (7)0.0044 (7)−0.0005 (7)
C90.0133 (8)0.0083 (8)0.0180 (9)−0.0021 (7)0.0025 (7)−0.0010 (6)
C100.0121 (8)0.0077 (8)0.0184 (9)−0.0005 (7)0.0029 (7)0.0031 (6)
C110.0160 (8)0.0129 (9)0.0190 (10)−0.0016 (7)0.0069 (7)0.0011 (7)
C120.0114 (8)0.0126 (8)0.0057 (8)−0.0031 (6)0.0002 (6)−0.0023 (6)
C130.0132 (8)0.0116 (8)0.0077 (8)−0.0015 (7)0.0022 (6)−0.0014 (6)
C140.0121 (8)0.0158 (9)0.0118 (8)−0.0026 (7)0.0020 (6)−0.0022 (6)
C150.0120 (8)0.0180 (9)0.0139 (9)0.0022 (7)0.0023 (6)−0.0024 (7)
C160.0176 (8)0.0122 (8)0.0098 (8)0.0029 (7)0.0012 (6)−0.0004 (6)
C170.0151 (8)0.0110 (8)0.0094 (8)−0.0019 (7)0.0027 (6)−0.0003 (6)
C180.0119 (8)0.0114 (8)0.0052 (8)−0.0001 (6)0.0009 (6)−0.0017 (6)
C190.0131 (8)0.0062 (8)0.0121 (9)0.0027 (6)0.0024 (6)0.0000 (6)
C200.0132 (8)0.0069 (8)0.0122 (8)0.0015 (6)0.0015 (6)0.0007 (6)
C210.0162 (9)0.0192 (9)0.0141 (9)−0.0020 (7)0.0041 (7)−0.0027 (7)
C220.0203 (9)0.0251 (10)0.0162 (10)−0.0039 (8)−0.0006 (7)−0.0050 (7)
C230.0146 (9)0.0205 (9)0.0234 (10)−0.0054 (7)−0.0008 (7)0.0008 (7)
C240.0173 (9)0.0212 (10)0.0205 (10)−0.0025 (7)0.0064 (7)0.0028 (7)
C250.0171 (9)0.0145 (9)0.0120 (9)−0.0004 (7)0.0030 (7)0.0006 (7)
Mn1—O21.8673 (11)C9—C101.514 (2)
Mn1—O11.9324 (11)C9—H9A0.97 (2)
Mn1—N11.9903 (13)C9—H9B0.976 (18)
Mn1—N22.0091 (13)C10—H10A0.98 (2)
Mn1—O32.1306 (11)C10—H10B0.982 (19)
Mn1—O1i2.4399 (11)C11—C121.513 (2)
O1—C11.3377 (19)C11—H11A0.96 (2)
O1—Mn1i2.4398 (11)C11—H11B0.99 (2)
O2—C181.3259 (19)C11—H11C0.97 (2)
O3—C191.262 (2)C12—C131.470 (2)
O4—C191.253 (2)C13—C141.412 (2)
O5—H1W0.83 (3)C13—C181.423 (2)
O5—H2W0.88 (3)C14—C151.378 (2)
N1—C71.294 (2)C14—H140.97 (2)
N1—C91.473 (2)C15—C161.396 (2)
N2—C121.302 (2)C15—H150.951 (18)
N2—C101.483 (2)C16—C171.378 (2)
C1—C21.409 (2)C16—H160.97 (2)
C1—C61.421 (2)C17—C181.416 (2)
C2—C31.380 (2)C17—H170.93 (2)
C2—H20.987 (19)C19—C201.518 (2)
C3—C41.395 (3)C20—C211.393 (2)
C3—H30.95 (2)C20—C251.398 (2)
C4—C51.382 (3)C21—C221.391 (2)
C4—H40.95 (2)C21—H210.94 (2)
C5—C61.408 (2)C22—C231.386 (3)
C5—H50.99 (2)C22—H220.96 (2)
C6—C71.475 (2)C23—C241.389 (3)
C7—C81.509 (2)C23—H230.96 (2)
C8—H8A0.96 (2)C24—C251.389 (2)
C8—H8B0.97 (2)C24—H240.97 (2)
C8—H8C0.96 (2)C25—H250.92 (2)
O2—Mn1—O196.60 (5)N1—C9—H9B106.7 (11)
O2—Mn1—N1174.25 (5)C10—C9—H9B110.5 (10)
O1—Mn1—N187.80 (5)H9A—C9—H9B109.5 (15)
O2—Mn1—N290.25 (5)N2—C10—C9109.99 (13)
O1—Mn1—N2161.46 (5)N2—C10—H10A109.6 (12)
N1—Mn1—N284.46 (5)C9—C10—H10A109.8 (11)
O2—Mn1—O394.93 (5)N2—C10—H10B110.3 (11)
O1—Mn1—O388.63 (5)C9—C10—H10B108.3 (11)
N1—Mn1—O388.86 (5)H10A—C10—H10B108.8 (15)
N2—Mn1—O3107.99 (5)C12—C11—H11A109.1 (13)
O2—Mn1—O1i93.32 (4)C12—C11—H11B110.1 (13)
O1—Mn1—O1i75.92 (4)H11A—C11—H11B108.5 (17)
N1—Mn1—O1i84.14 (4)C12—C11—H11C111.2 (12)
N2—Mn1—O1i86.53 (4)H11A—C11—H11C107.9 (17)
O3—Mn1—O1i163.22 (4)H11B—C11—H11C109.9 (17)
C1—O1—Mn1119.41 (9)N2—C12—C13121.56 (14)
C1—O1—Mn1i116.41 (9)N2—C12—C11119.88 (15)
Mn1—O1—Mn1i104.08 (4)C13—C12—C11118.55 (14)
C18—O2—Mn1130.40 (10)C14—C13—C18117.69 (15)
C19—O3—Mn1143.43 (11)C14—C13—C12119.87 (14)
H1W—O5—H2W101 (2)C18—C13—C12122.44 (14)
C7—N1—C9121.19 (14)C15—C14—C13122.70 (16)
C7—N1—Mn1127.22 (11)C15—C14—H14117.7 (12)
C9—N1—Mn1111.42 (10)C13—C14—H14119.6 (12)
C12—N2—C10119.51 (13)C14—C15—C16119.12 (16)
C12—N2—Mn1129.45 (11)C14—C15—H15119.2 (11)
C10—N2—Mn1111.03 (10)C16—C15—H15121.7 (11)
O1—C1—C2118.23 (14)C17—C16—C15120.11 (16)
O1—C1—C6122.75 (14)C17—C16—H16120.9 (12)
C2—C1—C6118.94 (15)C15—C16—H16119.0 (12)
C3—C2—C1121.10 (16)C16—C17—C18121.60 (15)
C3—C2—H2121.6 (11)C16—C17—H17121.2 (12)
C1—C2—H2117.3 (11)C18—C17—H17117.2 (12)
C2—C3—C4120.32 (16)O2—C18—C17116.60 (14)
C2—C3—H3118.2 (12)O2—C18—C13124.85 (14)
C4—C3—H3121.4 (12)C17—C18—C13118.55 (14)
C5—C4—C3119.44 (16)O4—C19—O3125.43 (15)
C5—C4—H4120.1 (13)O4—C19—C20118.09 (14)
C3—C4—H4120.5 (13)O3—C19—C20116.48 (14)
C4—C5—C6121.85 (16)C21—C20—C25118.81 (15)
C4—C5—H5118.8 (11)C21—C20—C19120.87 (15)
C6—C5—H5119.3 (11)C25—C20—C19120.32 (14)
C5—C6—C1118.34 (15)C22—C21—C20120.53 (16)
C5—C6—C7120.08 (15)C22—C21—H21120.9 (12)
C1—C6—C7121.56 (14)C20—C21—H21118.5 (12)
N1—C7—C6120.45 (14)C23—C22—C21120.30 (17)
N1—C7—C8119.86 (14)C23—C22—H22121.5 (13)
C6—C7—C8119.68 (14)C21—C22—H22118.2 (13)
C7—C8—H8A112.0 (12)C22—C23—C24119.63 (16)
C7—C8—H8B109.4 (11)C22—C23—H23120.9 (13)
H8A—C8—H8B106.2 (16)C24—C23—H23119.5 (13)
C7—C8—H8C112.9 (12)C25—C24—C23120.20 (16)
H8A—C8—H8C106.1 (17)C25—C24—H24119.3 (12)
H8B—C8—H8C110.0 (16)C23—C24—H24120.5 (12)
N1—C9—C10109.20 (13)C24—C25—C20120.51 (16)
N1—C9—H9A111.0 (11)C24—C25—H25121.7 (12)
C10—C9—H9A109.9 (11)C20—C25—H25117.7 (12)
O2—Mn1—O1—C1136.33 (11)O1—C1—C6—C7−0.6 (2)
N1—Mn1—O1—C1−47.38 (11)C2—C1—C6—C7−177.45 (14)
N2—Mn1—O1—C1−112.66 (17)C9—N1—C7—C6176.72 (14)
O3—Mn1—O1—C141.53 (11)Mn1—N1—C7—C61.8 (2)
O1i—Mn1—O1—C1−131.89 (12)C9—N1—C7—C8−2.3 (2)
O2—Mn1—O1—Mn1i−91.78 (5)Mn1—N1—C7—C8−177.14 (11)
N1—Mn1—O1—Mn1i84.51 (5)C5—C6—C7—N1158.58 (15)
N2—Mn1—O1—Mn1i19.23 (17)C1—C6—C7—N1−23.0 (2)
O3—Mn1—O1—Mn1i173.42 (5)C5—C6—C7—C8−22.4 (2)
O1i—Mn1—O1—Mn1i0.0C1—C6—C7—C8155.94 (15)
O1—Mn1—O2—C18153.11 (13)C7—N1—C9—C10150.24 (14)
N2—Mn1—O2—C18−9.62 (13)Mn1—N1—C9—C10−34.14 (15)
O3—Mn1—O2—C18−117.70 (13)C12—N2—C10—C9152.00 (14)
O1i—Mn1—O2—C1876.92 (13)Mn1—N2—C10—C9−28.88 (15)
O2—Mn1—O3—C1952.96 (17)N1—C9—C10—N240.92 (17)
O1—Mn1—O3—C19149.46 (17)C10—N2—C12—C13−178.33 (13)
N1—Mn1—O3—C19−122.71 (17)Mn1—N2—C12—C132.7 (2)
N2—Mn1—O3—C19−38.91 (18)C10—N2—C12—C110.7 (2)
O1i—Mn1—O3—C19172.10 (15)Mn1—N2—C12—C11−178.26 (11)
O1—Mn1—N1—C726.94 (13)N2—C12—C13—C14170.91 (15)
N2—Mn1—N1—C7−169.93 (14)C11—C12—C13—C14−8.1 (2)
O3—Mn1—N1—C7−61.73 (13)N2—C12—C13—C18−9.0 (2)
O1i—Mn1—N1—C7103.00 (13)C11—C12—C13—C18171.94 (15)
O1—Mn1—N1—C9−148.35 (11)C18—C13—C14—C15−2.5 (2)
N2—Mn1—N1—C914.78 (10)C12—C13—C14—C15177.56 (15)
O3—Mn1—N1—C9122.98 (11)C13—C14—C15—C16−1.6 (2)
O1i—Mn1—N1—C9−72.29 (10)C14—C15—C16—C172.7 (2)
O2—Mn1—N2—C124.96 (14)C15—C16—C17—C180.4 (2)
O1—Mn1—N2—C12−107.01 (19)Mn1—O2—C18—C17−174.08 (10)
N1—Mn1—N2—C12−172.79 (14)Mn1—O2—C18—C136.5 (2)
O3—Mn1—N2—C12100.22 (13)C16—C17—C18—O2176.07 (14)
O1i—Mn1—N2—C12−88.34 (13)C16—C17—C18—C13−4.5 (2)
O2—Mn1—N2—C10−174.04 (10)C14—C13—C18—O2−175.22 (14)
O1—Mn1—N2—C1073.98 (19)C12—C13—C18—O24.7 (2)
N1—Mn1—N2—C108.21 (10)C14—C13—C18—C175.4 (2)
O3—Mn1—N2—C10−78.78 (10)C12—C13—C18—C17−174.64 (14)
O1i—Mn1—N2—C1092.65 (10)Mn1—O3—C19—O420.1 (3)
Mn1—O1—C1—C2−140.61 (12)Mn1—O3—C19—C20−160.12 (12)
Mn1i—O1—C1—C293.12 (14)O4—C19—C20—C21−5.1 (2)
Mn1—O1—C1—C642.54 (18)O3—C19—C20—C21175.11 (15)
Mn1i—O1—C1—C6−83.74 (15)O4—C19—C20—C25175.36 (15)
O1—C1—C2—C3−177.31 (14)O3—C19—C20—C25−4.4 (2)
C6—C1—C2—C3−0.3 (2)C25—C20—C21—C220.3 (3)
C1—C2—C3—C4−0.6 (2)C19—C20—C21—C22−179.22 (15)
C2—C3—C4—C50.8 (2)C20—C21—C22—C230.1 (3)
C3—C4—C5—C6−0.2 (2)C21—C22—C23—C24−0.9 (3)
C4—C5—C6—C1−0.7 (2)C22—C23—C24—C251.4 (3)
C4—C5—C6—C7177.73 (15)C23—C24—C25—C20−1.0 (3)
O1—C1—C6—C5177.78 (14)C21—C20—C25—C240.2 (2)
C2—C1—C6—C50.9 (2)C19—C20—C25—C24179.70 (15)
D—H···AD—HH···AD···AD—H···A
O5—H1W···O4ii0.83 (3)2.02 (3)2.8452 (19)173 (2)
O5—H2W···O4i0.88 (3)1.89 (3)2.7579 (18)171 (3)
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
O5—H1W⋯O4i0.83 (3)2.02 (3)2.8452 (19)173 (2)
O5—H2W⋯O4ii0.88 (3)1.89 (3)2.7579 (18)171 (3)

Symmetry codes: (i) ; (ii) .

  6 in total

Review 1.  The use of model complexes to elucidate the structure and function of manganese redox enzymes.

Authors:  V L Pecoraro; W Y Hsieh
Journal:  Met Ions Biol Syst       Date:  2000

Review 2.  Recent advances in the understanding of the biological chemistry of manganese.

Authors:  C F Yocum; V L Pecoraro
Journal:  Curr Opin Chem Biol       Date:  1999-04       Impact factor: 8.822

3.  A carboxylato-supported alkoxo-bridged dimanganese(III) complex: bis(mu-benzoato-O:O')bis[3-(33-methoxysalicydeneamino)propanolato-O,N,O':O']dimanganese(III).

Authors:  C Zhang; C Janiak
Journal:  Acta Crystallogr C       Date:  2001-06-12       Impact factor: 1.172

4.  EXAFS comparison of the dimanganese core structures of manganese catalase, arginase, and manganese-substituted ribonucleotide reductase and hemerythrin.

Authors:  T L Stemmler; T M Sossong; J I Goldstein; D E Ash; T E Elgren; D M Kurtz; J E Penner-Hahn
Journal:  Biochemistry       Date:  1997-08-12       Impact factor: 3.162

5.  Crystal structure of manganese catalase from Lactobacillus plantarum.

Authors:  V V Barynin; M M Whittaker; S V Antonyuk; V S Lamzin; P M Harrison; P J Artymiuk; J W Whittaker
Journal:  Structure       Date:  2001-08       Impact factor: 5.006

6.  EPR polarization studies on Mn catalase from Lactobacillus plantarum.

Authors:  A E Meier; M M Whittaker; J W Whittaker
Journal:  Biochemistry       Date:  1996-01-09       Impact factor: 3.162
  6 in total
  1 in total

1.  catena-Poly[[[{5,5'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate].

Authors:  Gervas E Assey; Anand M Butcher; Ray J Butcher; Yilma Gultneh
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-10-09
  1 in total

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