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The title compound, [MnCl(C12H8N2)2(H2O)](C8H5O3)·3H2O, consists of cis-[Mn(phen)2(H2O)Cl]+ cations (phen = 1,10-phenanthroline), 4-formyl­benzoate anions and solvent water mol­ecules. The MnII atom is coordinated by four N atoms of two phen ligands, one Cl atom and one aqua ligand, forming a distorted octa­hedral geometry. A three-dimensional network is formed by O—H...O/Cl hydrogen bonds and π–π stacking inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806048501/ob2101sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806048501/ob2101Isup2.hkl
Contains datablock I

CCDC reference: 630204

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.034
  • wR factor = 0.109
  • Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 8 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4 H2 O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 5 H2 O
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 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 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 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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.

cis-Aquachlorobis(1,10-phenanthroline-κ2N,N')manganese(II) 4-formylbenzoate trihydrate top
Crystal data top
[MnCl(C12H8N2)2(H2O)](C8H5O3)·3H2O)Z = 2
Mr = 671.98F(000) = 694
Triclinic, P1Dx = 1.451 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.719 (2) ÅCell parameters from 10995 reflections
b = 11.849 (2) Åθ = 3.1–27.5°
c = 12.971 (3) ŵ = 0.57 mm1
α = 103.33 (3)°T = 295 K
β = 94.42 (3)°Prism, colorless
γ = 104.23 (3)°0.38 × 0.28 × 0.19 mm
V = 1538.2 (6) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
6947 independent reflections
Radiation source: fine-focus sealed tube4816 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
Detector resolution: 10.000 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω scansh = 1213
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1515
Tmin = 0.812, Tmax = 0.899l = 1616
15102 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)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.109H atoms treated by a mixture of independent and constrained refinement
S = 1.09 w = 1/[σ2(Fo2) + (0.0413P)2 + 0.6199P]
where P = (Fo2 + 2Fc2)/3
6947 reflections(Δ/σ)max = 0.001
430 parametersΔρmax = 0.48 e Å3
12 restraintsΔρmin = 0.45 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
Mn10.82448 (3)0.61597 (3)0.80237 (3)0.03703 (11)
Cl10.95211 (6)0.64255 (6)0.97542 (5)0.05277 (17)
O1W0.95014 (17)0.77574 (16)0.78078 (15)0.0520 (4)
H1W11.0207 (18)0.815 (2)0.8211 (19)0.078*
H1W20.935 (3)0.813 (2)0.7341 (18)0.078*
O2W1.2195 (2)0.8436 (2)1.08825 (19)0.0763 (6)
H2W11.198 (3)0.884 (3)1.144 (2)0.114*
H2W21.158 (3)0.780 (2)1.061 (3)0.114*
O3W1.1885 (2)0.9166 (2)0.89310 (19)0.0780 (6)
H3W11.191 (4)0.906 (3)0.9564 (14)0.117*
H3W21.175 (4)0.9859 (19)0.896 (3)0.117*
O4W0.8801 (2)0.8754 (2)1.1291 (2)0.0816 (7)
H4W10.9539 (19)0.919 (3)1.164 (3)0.122*
H4W20.894 (3)0.822 (3)1.078 (2)0.122*
O10.8743 (2)1.02476 (19)0.75171 (15)0.0701 (6)
O20.9063 (2)0.87847 (17)0.62537 (14)0.0607 (5)
O30.5102 (2)1.1788 (2)0.3554 (2)0.0967 (8)
N10.74230 (18)0.58146 (18)0.62539 (15)0.0426 (4)
N20.90322 (17)0.46911 (16)0.70927 (14)0.0370 (4)
N30.64709 (18)0.46607 (17)0.81802 (15)0.0415 (4)
N40.66784 (18)0.70597 (17)0.85613 (15)0.0413 (4)
C10.6671 (2)0.6384 (3)0.5848 (2)0.0549 (6)
H10.63850.69590.63140.066*
C20.6285 (3)0.6158 (3)0.4748 (3)0.0677 (8)
H20.57510.65730.44900.081*
C30.6706 (3)0.5322 (3)0.4062 (2)0.0636 (8)
H30.64530.51570.33280.076*
C40.7516 (2)0.4710 (2)0.44524 (19)0.0487 (6)
C50.8026 (3)0.3846 (3)0.3779 (2)0.0602 (7)
H50.78090.36670.30400.072*
C60.8808 (3)0.3292 (3)0.4191 (2)0.0585 (7)
H60.91270.27370.37330.070*
C70.9166 (2)0.3534 (2)0.53216 (19)0.0451 (6)
C80.9965 (2)0.2960 (2)0.5789 (2)0.0540 (6)
H81.02900.23860.53600.065*
C91.0266 (3)0.3244 (2)0.6873 (2)0.0552 (7)
H91.07810.28560.71910.066*
C100.9791 (2)0.4123 (2)0.7499 (2)0.0449 (5)
H101.00170.43220.82380.054*
C110.8701 (2)0.43908 (19)0.60104 (17)0.0365 (5)
C120.7853 (2)0.4983 (2)0.55686 (17)0.0393 (5)
C130.6370 (3)0.3494 (2)0.8011 (2)0.0516 (6)
H130.70830.32240.78140.062*
C140.5264 (3)0.2652 (2)0.8112 (2)0.0614 (7)
H140.52420.18410.79780.074*
C150.4207 (3)0.3027 (3)0.8409 (2)0.0575 (7)
H150.34530.24730.84730.069*
C160.4273 (2)0.4260 (2)0.86177 (18)0.0455 (6)
C170.3224 (2)0.4737 (3)0.8956 (2)0.0556 (7)
H170.24620.42200.90540.067*
C180.3325 (2)0.5924 (3)0.9134 (2)0.0567 (7)
H180.26280.62100.93490.068*
C190.4482 (2)0.6756 (2)0.89999 (18)0.0479 (6)
C200.4644 (3)0.7999 (3)0.9185 (2)0.0590 (7)
H200.39690.83240.93950.071*
C210.5784 (3)0.8731 (3)0.9061 (2)0.0585 (7)
H210.58960.95570.91860.070*
C220.6782 (3)0.8226 (2)0.8743 (2)0.0499 (6)
H220.75570.87330.86550.060*
C230.5539 (2)0.6319 (2)0.86852 (16)0.0387 (5)
C240.5435 (2)0.5051 (2)0.84878 (16)0.0378 (5)
C250.8620 (2)0.9662 (2)0.6561 (2)0.0471 (6)
C260.7874 (2)1.0039 (2)0.57242 (19)0.0437 (5)
C270.7070 (3)1.0785 (2)0.6024 (2)0.0539 (6)
H270.69851.10430.67420.065*
C280.6400 (3)1.1142 (3)0.5266 (2)0.0585 (7)
H280.58551.16280.54730.070*
C290.6535 (3)1.0782 (2)0.4196 (2)0.0552 (7)
C300.7347 (3)1.0058 (3)0.3894 (2)0.0624 (7)
H300.74500.98220.31780.075*
C310.8009 (3)0.9680 (2)0.4658 (2)0.0571 (7)
H310.85440.91830.44480.069*
C320.5834 (3)1.1175 (3)0.3387 (3)0.0720 (9)
H320.59741.09240.26820.086*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.03974 (19)0.0424 (2)0.03120 (18)0.01557 (15)0.00662 (13)0.00869 (14)
Cl10.0611 (4)0.0599 (4)0.0362 (3)0.0149 (3)0.0018 (3)0.0146 (3)
O1W0.0545 (10)0.0541 (11)0.0473 (11)0.0084 (9)0.0007 (8)0.0223 (8)
O2W0.0645 (13)0.0831 (16)0.0739 (16)0.0223 (12)0.0123 (11)0.0027 (12)
O3W0.0720 (13)0.0771 (15)0.0779 (16)0.0205 (12)0.0059 (12)0.0115 (12)
O4W0.0689 (13)0.0746 (16)0.0918 (18)0.0224 (12)0.0031 (12)0.0027 (12)
O10.0903 (15)0.0737 (13)0.0461 (12)0.0386 (12)0.0034 (10)0.0017 (10)
O20.0878 (13)0.0656 (12)0.0461 (11)0.0453 (11)0.0148 (9)0.0204 (9)
O30.0837 (16)0.114 (2)0.116 (2)0.0547 (16)0.0011 (14)0.0502 (17)
N10.0443 (10)0.0490 (11)0.0358 (10)0.0148 (9)0.0021 (8)0.0126 (9)
N20.0401 (10)0.0408 (10)0.0326 (10)0.0165 (8)0.0076 (7)0.0078 (8)
N30.0443 (10)0.0464 (11)0.0354 (10)0.0156 (9)0.0085 (8)0.0095 (8)
N40.0442 (11)0.0456 (11)0.0355 (10)0.0185 (9)0.0060 (8)0.0067 (8)
C10.0509 (14)0.0631 (16)0.0576 (17)0.0235 (13)0.0007 (12)0.0230 (13)
C20.0595 (17)0.089 (2)0.0617 (19)0.0222 (16)0.0100 (14)0.0372 (17)
C30.0616 (17)0.087 (2)0.0368 (14)0.0063 (16)0.0077 (12)0.0250 (14)
C40.0457 (13)0.0581 (15)0.0343 (13)0.0015 (12)0.0008 (10)0.0144 (11)
C50.0656 (17)0.0721 (18)0.0282 (13)0.0004 (15)0.0075 (11)0.0046 (12)
C60.0612 (16)0.0606 (16)0.0408 (15)0.0047 (14)0.0174 (12)0.0028 (12)
C70.0424 (12)0.0405 (12)0.0463 (14)0.0035 (11)0.0163 (10)0.0043 (10)
C80.0513 (14)0.0449 (14)0.0653 (18)0.0189 (12)0.0184 (13)0.0035 (12)
C90.0518 (15)0.0494 (15)0.0708 (19)0.0230 (13)0.0096 (13)0.0180 (13)
C100.0457 (13)0.0494 (14)0.0471 (14)0.0222 (11)0.0086 (10)0.0166 (11)
C110.0353 (11)0.0391 (12)0.0339 (12)0.0071 (10)0.0094 (9)0.0088 (9)
C120.0378 (11)0.0447 (12)0.0314 (11)0.0029 (10)0.0041 (9)0.0112 (9)
C130.0565 (15)0.0431 (14)0.0561 (16)0.0164 (12)0.0133 (12)0.0101 (11)
C140.0673 (18)0.0452 (15)0.0682 (19)0.0076 (14)0.0148 (14)0.0140 (13)
C150.0530 (15)0.0621 (17)0.0498 (16)0.0015 (13)0.0051 (12)0.0190 (13)
C160.0407 (12)0.0645 (16)0.0292 (12)0.0083 (12)0.0023 (9)0.0152 (11)
C170.0411 (13)0.084 (2)0.0383 (14)0.0091 (14)0.0063 (10)0.0183 (13)
C180.0398 (13)0.090 (2)0.0415 (14)0.0234 (14)0.0096 (10)0.0122 (14)
C190.0447 (13)0.0704 (17)0.0319 (12)0.0277 (13)0.0048 (9)0.0070 (11)
C200.0580 (16)0.0723 (19)0.0528 (16)0.0407 (15)0.0090 (12)0.0035 (13)
C210.0660 (17)0.0542 (16)0.0580 (17)0.0333 (14)0.0018 (13)0.0038 (13)
C220.0548 (15)0.0434 (13)0.0513 (15)0.0206 (12)0.0070 (11)0.0042 (11)
C230.0381 (11)0.0542 (14)0.0257 (11)0.0179 (11)0.0036 (8)0.0084 (9)
C240.0395 (11)0.0510 (13)0.0238 (10)0.0145 (10)0.0019 (8)0.0102 (9)
C250.0539 (14)0.0465 (14)0.0436 (14)0.0172 (12)0.0086 (11)0.0125 (11)
C260.0471 (13)0.0380 (12)0.0468 (14)0.0117 (11)0.0050 (10)0.0129 (10)
C270.0571 (15)0.0545 (15)0.0540 (16)0.0225 (13)0.0113 (12)0.0127 (12)
C280.0525 (15)0.0594 (17)0.0700 (19)0.0252 (13)0.0084 (13)0.0187 (14)
C290.0500 (14)0.0534 (15)0.0643 (18)0.0125 (13)0.0014 (12)0.0238 (13)
C300.0796 (19)0.0668 (18)0.0471 (16)0.0304 (16)0.0058 (13)0.0169 (13)
C310.0716 (17)0.0603 (16)0.0492 (16)0.0340 (14)0.0094 (13)0.0156 (13)
C320.0684 (19)0.075 (2)0.077 (2)0.0189 (17)0.0047 (16)0.0321 (17)
Geometric parameters (Å, º) top
Mn1—O1W2.1272 (18)C8—C91.361 (4)
Mn1—N22.2602 (19)C8—H80.9300
Mn1—N42.2717 (19)C9—C101.392 (3)
Mn1—N12.300 (2)C9—H90.9300
Mn1—N32.319 (2)C10—H100.9300
Mn1—Cl12.4491 (10)C11—C121.438 (3)
O1W—H1W10.85 (2)C13—C141.386 (4)
O1W—H1W20.86 (2)C13—H130.9300
O2W—H2W10.85 (3)C14—C151.366 (4)
O2W—H2W20.85 (3)C14—H140.9300
O3W—H3W10.86 (3)C15—C161.406 (4)
O3W—H3W20.86 (3)C15—H150.9300
O4W—H4W10.86 (3)C16—C241.410 (3)
O4W—H4W20.85 (3)C16—C171.431 (4)
O1—C251.253 (3)C17—C181.348 (4)
O2—C251.243 (3)C17—H170.9300
O3—C321.194 (4)C18—C191.432 (4)
N1—C11.322 (3)C18—H180.9300
N1—C121.362 (3)C19—C201.400 (4)
N2—C101.326 (3)C19—C231.407 (3)
N2—C111.362 (3)C20—C211.358 (4)
N3—C131.324 (3)C20—H200.9300
N3—C241.357 (3)C21—C221.394 (4)
N4—C221.322 (3)C21—H210.9300
N4—C231.363 (3)C22—H220.9300
C1—C21.399 (4)C23—C241.439 (3)
C1—H10.9300C25—C261.510 (3)
C2—C31.362 (4)C26—C311.380 (4)
C2—H20.9300C26—C271.394 (3)
C3—C41.396 (4)C27—C281.377 (4)
C3—H30.9300C27—H270.9300
C4—C121.406 (3)C28—C291.384 (4)
C4—C51.431 (4)C28—H280.9300
C5—C61.335 (4)C29—C301.382 (4)
C5—H50.9300C29—C321.469 (4)
C6—C71.430 (4)C30—C311.392 (4)
C6—H60.9300C30—H300.9300
C7—C81.400 (4)C31—H310.9300
C7—C111.406 (3)C32—H320.9300
O1W—Mn1—N2102.95 (7)C7—C11—C12119.5 (2)
O1W—Mn1—N494.20 (8)N1—C12—C4122.2 (2)
N2—Mn1—N4155.69 (7)N1—C12—C11118.33 (19)
O1W—Mn1—N185.04 (8)C4—C12—C11119.5 (2)
N2—Mn1—N173.46 (7)N3—C13—C14123.8 (2)
N4—Mn1—N191.26 (7)N3—C13—H13118.1
O1W—Mn1—N3165.37 (7)C14—C13—H13118.1
N2—Mn1—N387.89 (7)C15—C14—C13119.2 (3)
N4—Mn1—N372.66 (7)C15—C14—H14120.4
N1—Mn1—N388.76 (8)C13—C14—H14120.4
O1W—Mn1—Cl191.04 (6)C14—C15—C16119.2 (2)
N2—Mn1—Cl196.37 (6)C14—C15—H15120.4
N4—Mn1—Cl1100.46 (6)C16—C15—H15120.4
N1—Mn1—Cl1167.89 (5)C15—C16—C24117.7 (2)
N3—Mn1—Cl197.57 (6)C15—C16—C17123.0 (2)
Mn1—O1W—H1W1124.4 (17)C24—C16—C17119.3 (2)
Mn1—O1W—H1W2126.0 (18)C18—C17—C16121.0 (2)
H1W1—O1W—H1W2109.4 (15)C18—C17—H17119.5
H2W1—O2W—H2W2108.5 (16)C16—C17—H17119.5
H3W1—O3W—H3W2107.8 (16)C17—C18—C19121.5 (2)
H4W1—O4W—H4W2107.8 (16)C17—C18—H18119.3
C1—N1—C12118.5 (2)C19—C18—H18119.3
C1—N1—Mn1127.16 (18)C20—C19—C23117.2 (2)
C12—N1—Mn1114.23 (15)C20—C19—C18123.8 (2)
C10—N2—C11118.03 (19)C23—C19—C18118.9 (2)
C10—N2—Mn1126.29 (16)C21—C20—C19120.2 (2)
C11—N2—Mn1115.67 (14)C21—C20—H20119.9
C13—N3—C24117.7 (2)C19—C20—H20119.9
C13—N3—Mn1127.46 (16)C20—C21—C22119.1 (3)
C24—N3—Mn1114.82 (15)C20—C21—H21120.5
C22—N4—C23118.3 (2)C22—C21—H21120.5
C22—N4—Mn1125.34 (16)N4—C22—C21123.0 (3)
C23—N4—Mn1116.33 (15)N4—C22—H22118.5
N1—C1—C2122.9 (3)C21—C22—H22118.5
N1—C1—H1118.6N4—C23—C19122.2 (2)
C2—C1—H1118.6N4—C23—C24117.97 (19)
C3—C2—C1118.8 (3)C19—C23—C24119.8 (2)
C3—C2—H2120.6N3—C24—C16122.4 (2)
C1—C2—H2120.6N3—C24—C23118.2 (2)
C2—C3—C4120.4 (3)C16—C24—C23119.4 (2)
C2—C3—H3119.8O2—C25—O1124.4 (2)
C4—C3—H3119.8O2—C25—C26117.7 (2)
C3—C4—C12117.3 (3)O1—C25—C26117.9 (2)
C3—C4—C5123.4 (2)C31—C26—C27119.1 (2)
C12—C4—C5119.2 (2)C31—C26—C25120.5 (2)
C6—C5—C4121.2 (2)C27—C26—C25120.3 (2)
C6—C5—H5119.4C28—C27—C26120.5 (3)
C4—C5—H5119.4C28—C27—H27119.7
C5—C6—C7121.5 (2)C26—C27—H27119.7
C5—C6—H6119.2C27—C28—C29120.4 (3)
C7—C6—H6119.2C27—C28—H28119.8
C8—C7—C11117.6 (2)C29—C28—H28119.8
C8—C7—C6123.4 (2)C30—C29—C28119.5 (3)
C11—C7—C6119.1 (2)C30—C29—C32120.1 (3)
C9—C8—C7119.8 (2)C28—C29—C32120.4 (3)
C9—C8—H8120.1C29—C30—C31120.3 (3)
C7—C8—H8120.1C29—C30—H30119.9
C8—C9—C10119.2 (2)C31—C30—H30119.9
C8—C9—H9120.4C26—C31—C30120.2 (3)
C10—C9—H9120.4C26—C31—H31119.9
N2—C10—C9123.2 (2)C30—C31—H31119.9
N2—C10—H10118.4O3—C32—C29125.8 (3)
C9—C10—H10118.4O3—C32—H32117.1
N2—C11—C7122.3 (2)C29—C32—H32117.1
N2—C11—C12118.20 (19)
O1W—Mn1—N1—C173.0 (2)C1—N1—C12—C40.4 (3)
N2—Mn1—N1—C1178.1 (2)Mn1—N1—C12—C4176.12 (16)
N4—Mn1—N1—C121.1 (2)C1—N1—C12—C11178.3 (2)
N3—Mn1—N1—C193.7 (2)Mn1—N1—C12—C112.6 (2)
Cl1—Mn1—N1—C1144.5 (2)C3—C4—C12—N10.4 (3)
O1W—Mn1—N1—C12102.27 (16)C5—C4—C12—N1178.6 (2)
N2—Mn1—N1—C122.83 (14)C3—C4—C12—C11179.1 (2)
N4—Mn1—N1—C12163.63 (15)C5—C4—C12—C110.0 (3)
N3—Mn1—N1—C1291.00 (15)N2—C11—C12—N10.0 (3)
Cl1—Mn1—N1—C1230.8 (4)C7—C11—C12—N1179.62 (19)
O1W—Mn1—N2—C10100.86 (19)N2—C11—C12—C4178.70 (19)
N4—Mn1—N2—C10125.4 (2)C7—C11—C12—C40.9 (3)
N1—Mn1—N2—C10178.39 (19)C24—N3—C13—C141.2 (4)
N3—Mn1—N2—C1089.06 (19)Mn1—N3—C13—C14179.2 (2)
Cl1—Mn1—N2—C108.32 (18)N3—C13—C14—C150.5 (4)
O1W—Mn1—N2—C1177.89 (15)C13—C14—C15—C160.7 (4)
N4—Mn1—N2—C1155.9 (2)C14—C15—C16—C241.1 (4)
N1—Mn1—N2—C112.86 (14)C14—C15—C16—C17178.6 (2)
N3—Mn1—N2—C1192.19 (15)C15—C16—C17—C18179.2 (2)
Cl1—Mn1—N2—C11170.43 (14)C24—C16—C17—C181.1 (4)
O1W—Mn1—N3—C13154.2 (3)C16—C17—C18—C190.4 (4)
N2—Mn1—N3—C1315.9 (2)C17—C18—C19—C20179.3 (2)
N4—Mn1—N3—C13178.9 (2)C17—C18—C19—C230.7 (4)
N1—Mn1—N3—C1389.4 (2)C23—C19—C20—C210.0 (4)
Cl1—Mn1—N3—C1380.3 (2)C18—C19—C20—C21178.6 (3)
O1W—Mn1—N3—C2426.2 (4)C19—C20—C21—C220.3 (4)
N2—Mn1—N3—C24164.57 (15)C23—N4—C22—C210.4 (4)
N4—Mn1—N3—C240.63 (14)Mn1—N4—C22—C21179.26 (19)
N1—Mn1—N3—C2491.08 (16)C20—C21—C22—N40.5 (4)
Cl1—Mn1—N3—C2499.28 (15)C22—N4—C23—C190.2 (3)
O1W—Mn1—N4—C226.4 (2)Mn1—N4—C23—C19179.10 (16)
N2—Mn1—N4—C22141.5 (2)C22—N4—C23—C24179.9 (2)
N1—Mn1—N4—C2291.5 (2)Mn1—N4—C23—C241.2 (2)
N3—Mn1—N4—C22179.8 (2)C20—C19—C23—N40.0 (3)
Cl1—Mn1—N4—C2285.4 (2)C18—C19—C23—N4178.7 (2)
O1W—Mn1—N4—C23172.48 (15)C20—C19—C23—C24179.7 (2)
N2—Mn1—N4—C2337.4 (3)C18—C19—C23—C241.0 (3)
N1—Mn1—N4—C2387.36 (16)C13—N3—C24—C160.7 (3)
N3—Mn1—N4—C230.94 (14)Mn1—N3—C24—C16179.70 (16)
Cl1—Mn1—N4—C2395.68 (15)C13—N3—C24—C23179.3 (2)
C12—N1—C1—C20.8 (4)Mn1—N3—C24—C230.3 (2)
Mn1—N1—C1—C2175.88 (19)C15—C16—C24—N30.4 (3)
N1—C1—C2—C30.3 (4)C17—C16—C24—N3179.3 (2)
C1—C2—C3—C40.5 (4)C15—C16—C24—C23179.5 (2)
C2—C3—C4—C120.9 (4)C17—C16—C24—C230.7 (3)
C2—C3—C4—C5178.1 (3)N4—C23—C24—N30.6 (3)
C3—C4—C5—C6179.4 (3)C19—C23—C24—N3179.67 (19)
C12—C4—C5—C60.4 (4)N4—C23—C24—C16179.44 (19)
C4—C5—C6—C70.2 (4)C19—C23—C24—C160.3 (3)
C5—C6—C7—C8178.9 (2)O2—C25—C26—C3119.0 (4)
C5—C6—C7—C111.1 (4)O1—C25—C26—C31161.5 (2)
C11—C7—C8—C90.2 (3)O2—C25—C26—C27162.9 (2)
C6—C7—C8—C9179.8 (2)O1—C25—C26—C2716.6 (4)
C7—C8—C9—C101.3 (4)C31—C26—C27—C281.1 (4)
C11—N2—C10—C90.3 (3)C25—C26—C27—C28179.2 (2)
Mn1—N2—C10—C9178.45 (17)C26—C27—C28—C291.1 (4)
C8—C9—C10—N21.3 (4)C27—C28—C29—C300.1 (4)
C10—N2—C11—C71.9 (3)C27—C28—C29—C32179.2 (3)
Mn1—N2—C11—C7176.98 (16)C28—C29—C30—C310.9 (4)
C10—N2—C11—C12178.52 (19)C32—C29—C30—C31179.8 (3)
Mn1—N2—C11—C122.6 (2)C27—C26—C31—C300.1 (4)
C8—C7—C11—N21.9 (3)C25—C26—C31—C30178.2 (2)
C6—C7—C11—N2178.1 (2)C29—C30—C31—C260.9 (4)
C8—C7—C11—C12178.6 (2)C30—C29—C32—O3179.2 (3)
C6—C7—C11—C121.5 (3)C28—C29—C32—O31.5 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O3W0.85 (2)1.93 (3)2.765 (3)170 (3)
O1W—H1W2···O20.86 (2)1.80 (2)2.652 (2)174 (3)
O2W—H2W1···O1i0.85 (3)1.87 (3)2.711 (3)169 (4)
O2W—H2W2···Cl10.85 (3)2.40 (3)3.228 (3)164 (4)
O3W—H3W1···O2W0.86 (3)2.04 (3)2.878 (4)164 (3)
O3W—H3W2···O4Wi0.86 (3)1.96 (3)2.807 (4)167 (4)
O4W—H4W1···O1i0.86 (3)1.94 (3)2.779 (3)164 (4)
O4W—H4W2···Cl10.85 (3)2.48 (3)3.306 (3)162 (4)
Symmetry code: (i) x+2, y+2, z+2.
 

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