Download citation
Download citation
link to html
In the title complex, [Mn(C9H7O5)(C10H8N2)(H2O)3](C9H7O5)·H2O or [Mn(3-CPOAH)(2,2′-bipy)(H2O)3](3-CPOAH)·H2O (where 3-CPOAH is the 3-carboxy­phenoxy­acetate monoanion and 2,2′-bipy is 2,2′-bipyridine), the MnII ion has a distorted octa­hedral geometry involving one O atom of the 3-CPOAH group, two N atoms of the 2,2′-bipy ligand and three water mol­ecules. A three-dimensional supramolecular network is constructed via O—H...O hydrogen-bonding and π–π stacking inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805035336/su6240sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805035336/su6240Isup2.hkl
Contains datablock I

CCDC reference: 223832

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.040
  • wR factor = 0.091
  • Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mn1 - O3W .. 5.66 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mn1 - N2 .. 7.58 su PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 8
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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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

Computing details top

Data collection: RAPID AUTO (Rigaku, 1998); cell refinement: RAPID AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

[Triaqua(2,2'-bipyridine-κ2N,N')(3-carboxyphenoxyacetato-κO)manganese(II)] 3-carboxylphenoxyacetate monohydrate top
Crystal data top
[Mn(C9H7O5)(C10H8N2)(H2O)3](C9H7O5)·H2OZ = 2
Mr = 673.48F(000) = 698
Triclinic, P1Dx = 1.512 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 6.0749 (12) ÅCell parameters from 13697 reflections
b = 15.428 (3) Åθ = 3.0–27.5°
c = 16.028 (3) ŵ = 0.52 mm1
α = 86.59 (3)°T = 295 K
β = 86.42 (3)°Prism, pale yellow
γ = 81.19 (3)°0.35 × 0.26 × 0.19 mm
V = 1479.7 (5) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
6667 independent reflections
Radiation source: fine-focus sealed tube5008 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
Detector resolution: 10.000 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω scansh = 77
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 2020
Tmin = 0.839, Tmax = 0.907l = 1920
14322 measured reflections
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0454P)2 + 0.2859P]
where P = (Fo2 + 2Fc2)/3
6667 reflections(Δ/σ)max = 0.001
436 parametersΔρmax = 0.37 e Å3
14 restraintsΔρmin = 0.20 e Å3
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
Mn10.63361 (5)0.572642 (17)0.251787 (17)0.03296 (9)
O1W0.4555 (2)0.62319 (9)0.13420 (9)0.0443 (3)
H1W10.324 (2)0.6503 (14)0.1441 (14)0.066*
H1W20.522 (3)0.6522 (14)0.0973 (12)0.066*
O2W0.7718 (3)0.53545 (9)0.37036 (8)0.0441 (3)
H2W10.736 (4)0.4927 (10)0.4008 (12)0.066*
H2W20.803 (4)0.5750 (11)0.3996 (12)0.066*
O3W0.3495 (3)0.64931 (11)0.31531 (10)0.0614 (4)
H3W10.399 (4)0.6809 (16)0.3484 (16)0.092*
H3W20.219 (2)0.6698 (18)0.3020 (17)0.092*
O4W0.7138 (3)0.38971 (14)0.46358 (14)0.0833 (6)
H4W10.606 (3)0.369 (2)0.489 (2)0.125*
H4W20.835 (3)0.368 (2)0.485 (2)0.125*
O10.8689 (2)0.66074 (9)0.23112 (9)0.0463 (3)
O21.0667 (2)0.73527 (9)0.14147 (10)0.0518 (4)
O30.7765 (2)0.87873 (8)0.14594 (9)0.0445 (3)
O40.8363 (2)1.14332 (9)0.02771 (10)0.0490 (4)
H290.867 (4)1.1797 (14)0.0670 (12)0.073*
O50.5092 (2)1.23076 (9)0.01625 (9)0.0497 (4)
O60.5489 (3)0.73439 (10)0.42828 (12)0.0668 (5)
O70.8675 (3)0.65956 (10)0.46929 (10)0.0590 (4)
O80.9593 (2)0.79245 (9)0.55265 (9)0.0488 (4)
O90.6627 (3)1.11022 (10)0.58880 (12)0.0623 (5)
H300.595 (5)1.1631 (9)0.5872 (19)0.093*
O100.8999 (3)1.16153 (10)0.66574 (10)0.0607 (4)
N10.8445 (2)0.47273 (10)0.16943 (9)0.0337 (3)
N20.4721 (3)0.44962 (10)0.25969 (9)0.0361 (3)
C11.0318 (3)0.48766 (13)0.12568 (12)0.0411 (4)
H11.08990.53860.13440.049*
C21.1418 (3)0.43058 (15)0.06832 (13)0.0483 (5)
H21.27310.44220.03990.058*
C31.0543 (4)0.35674 (16)0.05399 (14)0.0552 (6)
H31.12260.31820.01440.066*
C40.8637 (4)0.34019 (15)0.09896 (14)0.0521 (5)
H40.80280.28990.09040.063*
C50.7622 (3)0.39903 (12)0.15742 (11)0.0347 (4)
C60.5612 (3)0.38355 (12)0.21076 (11)0.0339 (4)
C70.4719 (4)0.30654 (13)0.21208 (13)0.0471 (5)
H70.53590.26160.17800.056*
C80.2868 (4)0.29646 (15)0.26428 (14)0.0521 (5)
H80.22440.24500.26550.063*
C90.1964 (4)0.36371 (15)0.31433 (14)0.0501 (5)
H90.07200.35850.35010.060*
C100.2931 (3)0.43840 (14)0.31049 (13)0.0454 (5)
H100.23190.48360.34470.054*
C110.8982 (3)0.72917 (12)0.18817 (11)0.0343 (4)
C120.7143 (3)0.80718 (11)0.19661 (11)0.0345 (4)
H12A0.57550.79230.17890.041*
H12B0.69240.82290.25460.041*
C130.6236 (3)0.95260 (11)0.13426 (11)0.0318 (4)
C140.4097 (3)0.96532 (13)0.17090 (12)0.0393 (4)
H140.35940.92190.20670.047*
C150.2704 (3)1.04416 (14)0.15347 (13)0.0457 (5)
H150.12711.05350.17860.055*
C160.3415 (3)1.10810 (13)0.09986 (12)0.0409 (4)
H160.24651.16010.08830.049*
C170.5568 (3)1.09474 (11)0.06271 (10)0.0304 (4)
C180.6980 (3)1.01694 (11)0.08045 (11)0.0316 (4)
H180.84231.00810.05620.038*
C190.6298 (3)1.16326 (11)0.00243 (11)0.0331 (4)
C200.7291 (4)0.72668 (13)0.46540 (13)0.0429 (5)
C210.7628 (3)0.80875 (12)0.50732 (13)0.0407 (4)
H21A0.77470.85590.46530.049*
H21B0.63520.82690.54510.049*
C221.0136 (3)0.86119 (13)0.59348 (12)0.0389 (4)
C231.2038 (4)0.84211 (15)0.63881 (13)0.0485 (5)
H231.28190.78530.64140.058*
C241.2767 (4)0.90740 (16)0.67993 (14)0.0539 (6)
H241.40530.89470.70970.065*
C251.1595 (4)0.99176 (14)0.67706 (13)0.0484 (5)
H251.20981.03570.70470.058*
C260.9683 (3)1.01068 (12)0.63335 (11)0.0368 (4)
C270.8930 (3)0.94490 (12)0.59143 (11)0.0377 (4)
H270.76300.95730.56240.045*
C280.8418 (3)1.10188 (13)0.63133 (12)0.0409 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.03833 (16)0.02426 (14)0.03556 (15)0.00346 (10)0.00164 (12)0.00082 (10)
O1W0.0434 (8)0.0412 (8)0.0443 (8)0.0015 (6)0.0026 (7)0.0103 (6)
O2W0.0642 (9)0.0303 (7)0.0390 (7)0.0088 (6)0.0118 (7)0.0018 (6)
O3W0.0675 (11)0.0571 (10)0.0531 (9)0.0166 (8)0.0032 (8)0.0162 (8)
O4W0.0672 (11)0.0760 (13)0.1015 (15)0.0125 (10)0.0087 (11)0.0480 (11)
O10.0511 (8)0.0295 (7)0.0571 (8)0.0086 (6)0.0003 (7)0.0121 (6)
O20.0462 (8)0.0374 (8)0.0635 (9)0.0048 (6)0.0155 (7)0.0175 (7)
O30.0415 (7)0.0288 (7)0.0575 (8)0.0006 (5)0.0111 (7)0.0145 (6)
O40.0406 (7)0.0388 (8)0.0615 (9)0.0011 (6)0.0125 (7)0.0182 (7)
O50.0502 (8)0.0343 (7)0.0575 (9)0.0055 (6)0.0085 (7)0.0145 (6)
O60.0582 (10)0.0433 (9)0.1027 (13)0.0003 (7)0.0305 (10)0.0284 (9)
O70.0728 (11)0.0348 (8)0.0701 (10)0.0033 (7)0.0291 (9)0.0123 (7)
O80.0536 (8)0.0335 (7)0.0610 (9)0.0033 (6)0.0198 (7)0.0071 (6)
O90.0624 (10)0.0402 (9)0.0870 (12)0.0002 (7)0.0309 (9)0.0167 (8)
O100.0743 (11)0.0439 (9)0.0687 (10)0.0113 (8)0.0223 (9)0.0157 (8)
N10.0354 (8)0.0317 (8)0.0331 (8)0.0023 (6)0.0037 (7)0.0003 (6)
N20.0361 (8)0.0329 (8)0.0388 (8)0.0038 (6)0.0019 (7)0.0017 (6)
C10.0408 (10)0.0413 (11)0.0409 (10)0.0075 (8)0.0027 (9)0.0034 (8)
C20.0379 (10)0.0573 (14)0.0447 (11)0.0043 (9)0.0048 (9)0.0031 (10)
C30.0546 (13)0.0573 (14)0.0490 (12)0.0078 (11)0.0065 (11)0.0148 (10)
C40.0530 (13)0.0450 (12)0.0595 (13)0.0047 (10)0.0010 (11)0.0204 (10)
C50.0358 (9)0.0317 (9)0.0358 (9)0.0008 (7)0.0096 (8)0.0024 (7)
C60.0340 (9)0.0301 (9)0.0379 (9)0.0032 (7)0.0106 (8)0.0009 (7)
C70.0538 (12)0.0344 (11)0.0541 (12)0.0079 (9)0.0059 (10)0.0045 (9)
C80.0558 (13)0.0404 (12)0.0636 (14)0.0199 (10)0.0110 (11)0.0099 (10)
C90.0457 (12)0.0514 (13)0.0529 (12)0.0133 (10)0.0001 (10)0.0132 (10)
C100.0423 (11)0.0445 (12)0.0481 (11)0.0054 (9)0.0033 (9)0.0016 (9)
C110.0401 (10)0.0273 (9)0.0361 (9)0.0076 (7)0.0058 (8)0.0028 (7)
C120.0383 (9)0.0281 (9)0.0366 (9)0.0073 (7)0.0016 (8)0.0051 (7)
C130.0359 (9)0.0268 (9)0.0318 (8)0.0036 (7)0.0003 (8)0.0010 (7)
C140.0404 (10)0.0376 (10)0.0386 (10)0.0076 (8)0.0056 (9)0.0052 (8)
C150.0336 (10)0.0474 (12)0.0515 (12)0.0002 (8)0.0102 (9)0.0072 (9)
C160.0377 (10)0.0340 (10)0.0469 (11)0.0042 (8)0.0011 (9)0.0033 (8)
C170.0342 (9)0.0262 (8)0.0309 (8)0.0053 (7)0.0025 (7)0.0005 (7)
C180.0313 (9)0.0287 (9)0.0339 (9)0.0039 (7)0.0018 (8)0.0004 (7)
C190.0375 (9)0.0276 (9)0.0336 (9)0.0036 (7)0.0016 (8)0.0008 (7)
C200.0496 (12)0.0340 (10)0.0465 (11)0.0079 (9)0.0054 (10)0.0061 (8)
C210.0426 (11)0.0331 (10)0.0480 (11)0.0081 (8)0.0055 (9)0.0062 (8)
C220.0437 (10)0.0362 (10)0.0385 (10)0.0110 (8)0.0032 (9)0.0022 (8)
C230.0491 (12)0.0449 (12)0.0511 (12)0.0037 (9)0.0108 (10)0.0004 (9)
C240.0497 (13)0.0587 (14)0.0559 (13)0.0087 (11)0.0209 (11)0.0031 (11)
C250.0549 (13)0.0479 (12)0.0468 (11)0.0166 (10)0.0117 (10)0.0070 (9)
C260.0424 (10)0.0384 (10)0.0315 (9)0.0128 (8)0.0007 (8)0.0017 (8)
C270.0394 (10)0.0394 (10)0.0357 (9)0.0100 (8)0.0053 (8)0.0008 (8)
C280.0480 (11)0.0417 (11)0.0353 (9)0.0126 (9)0.0013 (9)0.0051 (8)
Geometric parameters (Å, º) top
Mn1—O12.1171 (15)C4—H40.9300
Mn1—O2W2.1373 (15)C5—C61.487 (3)
Mn1—O3W2.1710 (17)C6—C71.378 (3)
Mn1—N22.2599 (17)C7—C81.382 (3)
Mn1—O1W2.2697 (16)C7—H70.9300
Mn1—N12.2772 (16)C8—C91.375 (3)
O1W—H1W10.85 (2)C8—H80.9300
O1W—H1W20.84 (2)C9—C101.368 (3)
O2W—H2W10.84 (2)C9—H90.9300
O2W—H2W20.84 (2)C10—H100.9300
O3W—H3W10.84 (2)C11—C121.518 (3)
O3W—H3W20.84 (2)C12—H12A0.9700
O4W—H4W10.84 (3)C12—H12B0.9700
O4W—H4W20.85 (3)C13—C141.383 (3)
O1—C111.255 (2)C13—C181.386 (2)
O2—C111.242 (2)C14—C151.395 (3)
O3—C131.367 (2)C14—H140.9300
O3—C121.415 (2)C15—C161.372 (3)
O4—C191.314 (2)C15—H150.9300
O4—H290.85 (2)C16—C171.394 (3)
O5—C191.212 (2)C16—H160.9300
O6—C201.265 (3)C17—C181.390 (2)
O7—C201.231 (2)C17—C191.489 (2)
O8—C221.370 (2)C18—H180.9300
O8—C211.418 (2)C20—C211.515 (3)
O9—C281.305 (3)C21—H21A0.9700
O9—H300.85 (2)C21—H21B0.9700
O10—C281.208 (2)C22—C271.383 (3)
N1—C51.339 (2)C22—C231.387 (3)
N1—C11.342 (2)C23—C241.378 (3)
N2—C101.344 (2)C23—H230.9300
N2—C61.349 (2)C24—C251.384 (3)
C1—C21.381 (3)C24—H240.9300
C1—H10.9300C25—C261.378 (3)
C2—C31.366 (3)C25—H250.9300
C2—H20.9300C26—C271.397 (3)
C3—C41.375 (3)C26—C281.496 (3)
C3—H30.9300C27—H270.9300
C4—C51.393 (3)
O1—Mn1—O2W88.01 (6)N2—C10—C9123.15 (19)
O1—Mn1—O3W104.00 (7)N2—C10—H10118.4
O2W—Mn1—O3W89.28 (7)C9—C10—H10118.4
O1—Mn1—N2162.55 (5)O2—C11—O1123.56 (17)
O2W—Mn1—N289.77 (6)O2—C11—C12120.30 (16)
O3W—Mn1—N293.28 (7)O1—C11—C12116.14 (16)
O1—Mn1—O1W92.75 (6)O3—C12—C11108.68 (14)
O2W—Mn1—O1W173.19 (5)O3—C12—H12A110.0
O3W—Mn1—O1W83.97 (6)C11—C12—H12A110.0
N2—Mn1—O1W91.50 (6)O3—C12—H12B110.0
O1—Mn1—N191.40 (6)C11—C12—H12B110.0
O2W—Mn1—N1100.72 (6)H12A—C12—H12B108.3
O3W—Mn1—N1161.99 (7)O3—C13—C14125.03 (16)
N2—Mn1—N172.02 (6)O3—C13—C18114.48 (15)
O1W—Mn1—N186.03 (6)C14—C13—C18120.48 (16)
Mn1—O1W—H1W1113.5 (16)C13—C14—C15119.08 (17)
Mn1—O1W—H1W2118.5 (16)C13—C14—H14120.5
H1W1—O1W—H1W2109.3 (14)C15—C14—H14120.5
Mn1—O2W—H2W1122.2 (16)C16—C15—C14121.02 (18)
Mn1—O2W—H2W2118.6 (16)C16—C15—H15119.5
H2W1—O2W—H2W2111.2 (15)C14—C15—H15119.5
Mn1—O3W—H3W1107.6 (19)C15—C16—C17119.67 (17)
Mn1—O3W—H3W2134.1 (18)C15—C16—H16120.2
H3W1—O3W—H3W2112.3 (16)C17—C16—H16120.2
H4W1—O4W—H4W2109.9 (16)C18—C17—C16119.82 (16)
C11—O1—Mn1140.27 (14)C18—C17—C19120.88 (16)
C13—O3—C12119.17 (14)C16—C17—C19119.27 (16)
C19—O4—H29111.2 (18)C13—C18—C17119.92 (16)
C22—O8—C21117.03 (15)C13—C18—H18120.0
C28—O9—H30112 (2)C17—C18—H18120.0
C5—N1—C1118.56 (16)O5—C19—O4123.85 (17)
C5—N1—Mn1117.20 (12)O5—C19—C17122.68 (17)
C1—N1—Mn1123.83 (13)O4—C19—C17113.47 (15)
C10—N2—C6118.18 (17)O7—C20—O6124.87 (19)
C10—N2—Mn1123.79 (13)O7—C20—C21121.24 (19)
C6—N2—Mn1118.03 (12)O6—C20—C21113.88 (17)
N1—C1—C2122.72 (19)O8—C21—C20110.21 (16)
N1—C1—H1118.6O8—C21—H21A109.6
C2—C1—H1118.6C20—C21—H21A109.6
C3—C2—C1118.84 (19)O8—C21—H21B109.6
C3—C2—H2120.6C20—C21—H21B109.6
C1—C2—H2120.6H21A—C21—H21B108.1
C2—C3—C4119.03 (19)O8—C22—C27124.38 (18)
C2—C3—H3120.5O8—C22—C23115.32 (18)
C4—C3—H3120.5C27—C22—C23120.30 (18)
C3—C4—C5119.7 (2)C24—C23—C22119.9 (2)
C3—C4—H4120.1C24—C23—H23120.1
C5—C4—H4120.1C22—C23—H23120.1
N1—C5—C4121.05 (18)C23—C24—C25120.3 (2)
N1—C5—C6116.27 (15)C23—C24—H24119.9
C4—C5—C6122.67 (18)C25—C24—H24119.9
N2—C6—C7121.37 (17)C26—C25—C24120.07 (19)
N2—C6—C5115.67 (16)C26—C25—H25120.0
C7—C6—C5122.95 (17)C24—C25—H25120.0
C6—C7—C8119.62 (19)C25—C26—C27120.09 (19)
C6—C7—H7120.2C25—C26—C28119.60 (18)
C8—C7—H7120.2C27—C26—C28120.31 (18)
C9—C8—C7119.0 (2)C22—C27—C26119.37 (18)
C9—C8—H8120.5C22—C27—H27120.3
C7—C8—H8120.5C26—C27—H27120.3
C10—C9—C8118.7 (2)O10—C28—O9123.6 (2)
C10—C9—H9120.7O10—C28—C26123.24 (19)
C8—C9—H9120.7O9—C28—C26113.12 (17)
O2W—Mn1—O1—C11157.9 (2)C6—C7—C8—C90.4 (3)
O3W—Mn1—O1—C1169.2 (2)C7—C8—C9—C100.1 (3)
N2—Mn1—O1—C11119.2 (2)C6—N2—C10—C90.6 (3)
O1W—Mn1—O1—C1115.3 (2)Mn1—N2—C10—C9179.68 (16)
N1—Mn1—O1—C11101.4 (2)C8—C9—C10—N20.4 (3)
O1—Mn1—N1—C5177.55 (13)Mn1—O1—C11—O2125.1 (2)
O2W—Mn1—N1—C594.22 (13)Mn1—O1—C11—C1255.6 (3)
O3W—Mn1—N1—C528.5 (3)C13—O3—C12—C11170.97 (15)
N2—Mn1—N1—C57.99 (12)O2—C11—C12—O30.8 (3)
O1W—Mn1—N1—C584.89 (13)O1—C11—C12—O3178.59 (16)
O1—Mn1—N1—C15.06 (15)C12—O3—C13—C142.4 (3)
O2W—Mn1—N1—C193.29 (15)C12—O3—C13—C18177.05 (16)
O3W—Mn1—N1—C1144.0 (2)O3—C13—C14—C15179.97 (19)
N2—Mn1—N1—C1179.52 (16)C18—C13—C14—C150.5 (3)
O1W—Mn1—N1—C187.60 (15)C13—C14—C15—C161.0 (3)
O1—Mn1—N2—C10156.39 (19)C14—C15—C16—C170.6 (3)
O2W—Mn1—N2—C1073.79 (16)C15—C16—C17—C180.2 (3)
O3W—Mn1—N2—C1015.48 (16)C15—C16—C17—C19177.98 (19)
O1W—Mn1—N2—C1099.52 (16)O3—C13—C18—C17179.20 (15)
N1—Mn1—N2—C10175.15 (17)C14—C13—C18—C170.3 (3)
O1—Mn1—N2—C623.4 (3)C16—C17—C18—C130.7 (3)
O2W—Mn1—N2—C6105.98 (14)C19—C17—C18—C13177.48 (17)
O3W—Mn1—N2—C6164.76 (13)C18—C17—C19—O5177.95 (17)
O1W—Mn1—N2—C680.71 (13)C16—C17—C19—O50.2 (3)
N1—Mn1—N2—C64.62 (12)C18—C17—C19—O42.3 (3)
C5—N1—C1—C20.6 (3)C16—C17—C19—O4179.49 (17)
Mn1—N1—C1—C2171.80 (15)C22—O8—C21—C20179.33 (16)
N1—C1—C2—C31.5 (3)O7—C20—C21—O83.8 (3)
C1—C2—C3—C42.0 (3)O6—C20—C21—O8175.52 (18)
C2—C3—C4—C50.7 (4)C21—O8—C22—C271.7 (3)
C1—N1—C5—C42.0 (3)C21—O8—C22—C23178.46 (18)
Mn1—N1—C5—C4170.87 (15)O8—C22—C23—C24177.92 (19)
C1—N1—C5—C6176.88 (16)C27—C22—C23—C241.9 (3)
Mn1—N1—C5—C610.2 (2)C22—C23—C24—C250.8 (3)
C3—C4—C5—N11.4 (3)C23—C24—C25—C260.4 (3)
C3—C4—C5—C6177.42 (19)C24—C25—C26—C270.4 (3)
C10—N2—C6—C70.3 (3)C24—C25—C26—C28179.4 (2)
Mn1—N2—C6—C7179.96 (15)O8—C22—C27—C26177.93 (17)
C10—N2—C6—C5178.62 (16)C23—C22—C27—C261.9 (3)
Mn1—N2—C6—C51.2 (2)C25—C26—C27—C220.8 (3)
N1—C5—C6—N26.0 (2)C28—C26—C27—C22179.42 (17)
C4—C5—C6—N2175.07 (18)C25—C26—C28—O100.9 (3)
N1—C5—C6—C7172.83 (18)C27—C26—C28—O10179.32 (19)
C4—C5—C6—C76.1 (3)C25—C26—C28—O9179.05 (19)
N2—C6—C7—C80.2 (3)C27—C26—C28—O90.8 (3)
C5—C6—C7—C8179.00 (18)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O2i0.85 (2)1.88 (2)2.706 (2)162 (2)
O1W—H1W2···O5ii0.84 (2)2.15 (2)2.879 (2)144 (2)
O2W—H2W1···O4W0.84 (2)1.85 (2)2.681 (2)169 (2)
O2W—H2W2···O70.84 (2)1.87 (2)2.708 (2)177 (2)
O3W—H3W1···O60.84 (2)1.91 (2)2.741 (2)170 (3)
O3W—H3W2···O1i0.84 (2)2.50 (3)3.268 (3)152 (2)
O4W—H4W1···O6iii0.84 (3)2.29 (3)3.068 (3)154 (3)
O4W—H4W2···O7iv0.85 (3)1.97 (3)2.803 (3)169 (3)
O4—H29···O2v0.85 (2)1.80 (2)2.641 (2)174 (3)
O4—H29···O3v0.85 (2)2.51 (2)2.918 (2)110 (2)
O9—H30···O6vi0.85 (2)1.70 (2)2.549 (2)173 (3)
Symmetry codes: (i) x1, y, z; (ii) x+1, y+2, z; (iii) x+1, y+1, z+1; (iv) x+2, y+1, z+1; (v) x+2, y+2, z; (vi) x+1, y+2, z+1.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds