Download citation
Download citation
link to html
In the title compound, [Fe(C5H5)(C8H13N)]Cl·2H2O, Fe—C bond lengths lie in the range 2.020 (2)–2.047 (2) Å. Inter­molecular N—H...Cl, O—H...Cl and O—H...O hydrogen bonds link the cations, chloride anions and water mol­ecules into a three-dimensional hydrogen-bonded network, which stabilizes the crystal packing.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806025645/cv2077sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806025645/cv2077Isup2.hkl
Contains datablock I

CCDC reference: 618180

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.032
  • wR factor = 0.071
  • Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe1 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 5
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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: TEXSAN (Molecular Structure Corporation, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

(N-Ferrocenylmethyl)dimethylammonium chloride dihydrate top
Crystal data top
[Fe(C5H5)(C8H13N)]Cl·2H2OF(000) = 664
Mr = 315.62Dx = 1.377 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3501 reflections
a = 18.116 (4) Åθ = 2.7–27.5°
b = 7.3783 (15) ŵ = 1.16 mm1
c = 11.799 (2) ÅT = 293 K
β = 105.17 (3)°Prism, brown
V = 1522.2 (6) Å30.51 × 0.35 × 0.34 mm
Z = 4
Data collection top
Rigaku Weissenberg IP
diffractometer
3501 independent reflections
Radiation source: fine-focus sealed tube2484 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.035
ω scansθmax = 27.5°, θmin = 2.3°
Absorption correction: multi-scan
(RAPID-AUTO; Rigaku, 1998)
h = 2322
Tmin = 0.620, Tmax = 0.674k = 90
13908 measured reflectionsl = 015
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) = 0.071H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.032P)2]
where P = (Fo2 + 2Fc2)/3
3501 reflections(Δ/σ)max < 0.001
182 parametersΔρmax = 0.46 e Å3
6 restraintsΔρmin = 0.26 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
Fe10.370474 (14)0.45677 (3)0.30454 (2)0.03451 (9)
Cl10.18937 (3)0.05340 (7)0.09612 (6)0.06420 (17)
C10.27504 (10)0.5828 (2)0.20934 (16)0.0387 (4)
C20.26097 (11)0.5007 (3)0.31080 (18)0.0460 (5)
H2A0.22260.40720.31130.055*
C30.31281 (12)0.5779 (3)0.41163 (18)0.0520 (6)
H3A0.31670.54550.49350.062*
C40.35831 (12)0.7063 (3)0.37298 (18)0.0510 (5)
H4A0.39940.77840.42350.061*
C50.33554 (11)0.7110 (2)0.24820 (17)0.0441 (5)
H5A0.35770.78770.19780.053*
C60.48328 (11)0.3824 (3)0.35113 (19)0.0509 (5)
H6A0.52590.45500.39720.061*
C70.45507 (11)0.3837 (3)0.22802 (19)0.0531 (5)
H7A0.47470.45760.17330.064*
C80.39315 (12)0.2618 (3)0.1973 (2)0.0535 (5)
H8A0.36260.23510.11750.064*
C90.38307 (13)0.1850 (3)0.3007 (2)0.0608 (6)
H9A0.34450.09450.30600.073*
C100.43912 (13)0.2591 (3)0.3961 (2)0.0573 (6)
H10A0.44580.23000.47920.069*
C110.23764 (11)0.5385 (3)0.08371 (16)0.0436 (5)
H11A0.22440.41090.07760.052*
H11B0.27390.55970.03740.052*
C120.14182 (14)0.6255 (3)0.09711 (18)0.0691 (7)
H12A0.09260.68100.12650.109*
H12B0.13380.49930.11600.109*
H12C0.18180.66830.13000.109*
C130.10355 (12)0.6039 (4)0.0873 (2)0.0697 (7)
H13A0.06090.68320.05650.115*
H13B0.12050.61920.17090.115*
H13C0.08830.48000.07120.115*
N10.16657 (9)0.6487 (2)0.03333 (14)0.0463 (4)
HN10.17690.77680.04350.055*
O1W0.06561 (16)0.3642 (4)0.3539 (2)0.1109 (8)
H1WA0.0323 (13)0.446 (3)0.347 (3)0.116 (13)*
H1WB0.1008 (11)0.375 (4)0.4160 (16)0.109 (12)*
O2W0.03541 (10)0.1462 (3)0.16216 (19)0.0845 (6)
H2WA0.0760 (9)0.113 (4)0.1458 (19)0.085 (10)*
H2WB0.0462 (13)0.211 (3)0.2235 (16)0.101 (12)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.03568 (14)0.02824 (13)0.03882 (15)0.00169 (12)0.00834 (10)0.00058 (13)
Cl10.0577 (3)0.0425 (3)0.0912 (4)0.0055 (3)0.0173 (3)0.0134 (3)
C10.0371 (10)0.0319 (10)0.0432 (11)0.0028 (8)0.0035 (8)0.0007 (8)
C20.0367 (10)0.0471 (12)0.0570 (13)0.0067 (9)0.0169 (9)0.0055 (10)
C30.0567 (13)0.0584 (14)0.0412 (11)0.0229 (11)0.0131 (10)0.0005 (10)
C40.0542 (12)0.0351 (10)0.0550 (13)0.0101 (10)0.0014 (10)0.0100 (10)
C50.0499 (11)0.0287 (9)0.0478 (11)0.0008 (9)0.0023 (9)0.0038 (9)
C60.0385 (10)0.0514 (12)0.0586 (13)0.0069 (10)0.0052 (9)0.0109 (12)
C70.0506 (12)0.0568 (13)0.0589 (13)0.0071 (11)0.0266 (11)0.0038 (12)
C80.0514 (12)0.0498 (12)0.0566 (13)0.0077 (11)0.0092 (10)0.0204 (12)
C90.0560 (14)0.0275 (10)0.103 (2)0.0051 (10)0.0282 (14)0.0002 (13)
C100.0684 (15)0.0494 (13)0.0549 (13)0.0241 (12)0.0174 (11)0.0131 (12)
C110.0448 (10)0.0337 (10)0.0474 (11)0.0022 (9)0.0033 (8)0.0016 (10)
C120.0718 (16)0.0634 (15)0.0538 (14)0.0004 (14)0.0163 (12)0.0021 (13)
C130.0459 (13)0.0755 (17)0.0822 (17)0.0009 (13)0.0067 (12)0.0088 (15)
N10.0450 (9)0.0334 (9)0.0503 (10)0.0030 (8)0.0060 (7)0.0006 (8)
O1W0.0996 (17)0.121 (2)0.1014 (18)0.0201 (16)0.0068 (14)0.0443 (16)
O2W0.0636 (12)0.1022 (16)0.0875 (15)0.0016 (12)0.0196 (10)0.0191 (14)
Geometric parameters (Å, º) top
Fe1—C92.020 (2)C7—C81.409 (3)
Fe1—C12.0248 (18)C7—H7A0.9800
Fe1—C82.027 (2)C8—C91.400 (3)
Fe1—C22.0305 (19)C8—H8A0.9800
Fe1—C102.034 (2)C9—C101.414 (3)
Fe1—C52.0347 (18)C9—H9A0.9800
Fe1—C32.044 (2)C10—H10A0.9800
Fe1—C72.044 (2)C11—N11.507 (2)
Fe1—C42.046 (2)C11—H11A0.9700
Fe1—C62.047 (2)C11—H11B0.9700
C1—C21.423 (3)C12—N11.496 (3)
C1—C51.429 (3)C12—H12A0.96
C1—C111.496 (3)C12—H12B0.96
C2—C31.427 (3)C12—H12C0.96
C2—H2A0.9800C13—N11.483 (3)
C3—C41.408 (3)C13—H13A0.96
C3—H3A0.9800C13—H13B0.96
C4—C51.422 (3)C13—H13C0.96
C4—H4A0.9800N1—HN10.96
C5—H5A0.9800O1W—H1WA0.84 (2)
C6—C101.404 (3)O1W—H1WB0.84 (2)
C6—C71.408 (3)O2W—H2WA0.84 (2)
C6—H6A0.9800O2W—H2WB0.84 (2)
C9—Fe1—C1121.92 (9)C3—C4—C5108.41 (18)
C9—Fe1—C840.47 (9)C3—C4—Fe169.79 (12)
C1—Fe1—C8105.24 (8)C5—C4—Fe169.20 (11)
C9—Fe1—C2106.06 (8)C3—C4—H4A125.8
C1—Fe1—C241.08 (8)C5—C4—H4A125.8
C8—Fe1—C2119.70 (9)Fe1—C4—H4A125.8
C9—Fe1—C1040.81 (9)C4—C5—C1107.86 (18)
C1—Fe1—C10159.83 (9)C4—C5—Fe170.02 (11)
C8—Fe1—C1068.11 (9)C1—C5—Fe169.02 (10)
C2—Fe1—C10124.23 (9)C4—C5—H5A126.1
C9—Fe1—C5159.24 (9)C1—C5—H5A126.1
C1—Fe1—C541.22 (7)Fe1—C5—H5A126.1
C8—Fe1—C5123.14 (9)C10—C6—C7107.8 (2)
C2—Fe1—C568.98 (8)C10—C6—Fe169.38 (12)
C10—Fe1—C5158.29 (9)C7—C6—Fe169.75 (12)
C9—Fe1—C3121.78 (10)C10—C6—H6A126.1
C1—Fe1—C369.01 (8)C7—C6—H6A126.1
C8—Fe1—C3156.32 (10)Fe1—C6—H6A126.1
C2—Fe1—C341.01 (8)C6—C7—C8108.1 (2)
C10—Fe1—C3108.99 (9)C6—C7—Fe169.99 (12)
C5—Fe1—C368.49 (9)C8—C7—Fe169.11 (12)
C9—Fe1—C768.05 (9)C6—C7—H7A126.0
C1—Fe1—C7120.41 (9)C8—C7—H7A126.0
C8—Fe1—C740.49 (9)Fe1—C7—H7A126.0
C2—Fe1—C7155.61 (9)C9—C8—C7108.11 (19)
C10—Fe1—C767.71 (9)C9—C8—Fe169.48 (12)
C5—Fe1—C7107.69 (9)C7—C8—Fe170.40 (12)
C3—Fe1—C7162.16 (9)C9—C8—H8A125.9
C9—Fe1—C4157.94 (10)C7—C8—H8A125.9
C1—Fe1—C468.96 (8)Fe1—C8—H8A125.9
C8—Fe1—C4160.97 (10)C8—C9—C10107.88 (19)
C2—Fe1—C468.57 (8)C8—C9—Fe170.05 (12)
C10—Fe1—C4123.35 (9)C10—C9—Fe170.13 (12)
C5—Fe1—C440.78 (8)C8—C9—H9A126.1
C3—Fe1—C440.28 (8)C10—C9—H9A126.1
C7—Fe1—C4125.62 (9)Fe1—C9—H9A126.1
C9—Fe1—C668.23 (9)C6—C10—C9108.1 (2)
C1—Fe1—C6156.86 (9)C6—C10—Fe170.39 (12)
C8—Fe1—C668.06 (9)C9—C10—Fe169.05 (12)
C2—Fe1—C6161.64 (9)C6—C10—H10A125.9
C10—Fe1—C640.24 (9)C9—C10—H10A125.9
C5—Fe1—C6122.56 (9)Fe1—C10—H10A125.9
C3—Fe1—C6125.94 (8)C1—C11—N1113.06 (15)
C7—Fe1—C640.26 (8)C1—C11—H11A109.0
C4—Fe1—C6109.78 (9)N1—C11—H11A109.0
C2—C1—C5107.63 (16)C1—C11—H11B109.0
C2—C1—C11127.31 (17)N1—C11—H11B109.0
C5—C1—C11124.96 (18)H11A—C11—H11B107.8
C2—C1—Fe169.67 (10)N1—C12—H12A109.0
C5—C1—Fe169.76 (10)N1—C12—H12B109.7
C11—C1—Fe1123.29 (13)N1—C12—H12C108.9
C1—C2—C3107.93 (18)N1—C13—H13A109.1
C1—C2—Fe169.24 (11)N1—C13—H13B109.9
C3—C2—Fe169.99 (11)N1—C13—H13C110.0
C1—C2—H2A126.0C13—N1—C12111.04 (17)
C3—C2—H2A126.0C13—N1—C11112.64 (16)
Fe1—C2—H2A126.0C12—N1—C11109.85 (17)
C4—C3—C2108.17 (18)C13—N1—HN1108.1
C4—C3—Fe169.93 (12)C12—N1—HN1103.7
C2—C3—Fe169.00 (11)C11—N1—HN1111.1
C4—C3—H3A125.9H1WA—O1W—H1WB111.9 (16)
C2—C3—H3A125.9H2WA—O2W—H2WB109.7 (15)
Fe1—C3—H3A125.9
C9—Fe1—C1—C277.36 (14)C3—Fe1—C5—C182.26 (13)
C8—Fe1—C1—C2117.97 (13)C7—Fe1—C5—C1116.24 (13)
C10—Fe1—C1—C250.2 (3)C4—Fe1—C5—C1119.27 (18)
C5—Fe1—C1—C2118.74 (16)C6—Fe1—C5—C1157.94 (12)
C3—Fe1—C1—C237.83 (12)C9—Fe1—C6—C1037.84 (14)
C7—Fe1—C1—C2159.03 (12)C1—Fe1—C6—C10158.80 (19)
C4—Fe1—C1—C281.12 (13)C8—Fe1—C6—C1081.61 (14)
C6—Fe1—C1—C2172.40 (19)C2—Fe1—C6—C1037.2 (3)
C9—Fe1—C1—C5163.89 (13)C5—Fe1—C6—C10162.16 (13)
C8—Fe1—C1—C5123.29 (13)C3—Fe1—C6—C1076.43 (16)
C2—Fe1—C1—C5118.74 (16)C7—Fe1—C6—C10119.1 (2)
C10—Fe1—C1—C5169.0 (2)C4—Fe1—C6—C10118.64 (14)
C3—Fe1—C1—C580.92 (13)C9—Fe1—C6—C781.30 (15)
C7—Fe1—C1—C582.23 (14)C1—Fe1—C6—C739.7 (3)
C4—Fe1—C1—C537.63 (12)C8—Fe1—C6—C737.54 (14)
C6—Fe1—C1—C553.7 (2)C2—Fe1—C6—C7156.4 (2)
C9—Fe1—C1—C1144.6 (2)C10—Fe1—C6—C7119.1 (2)
C8—Fe1—C1—C114.04 (18)C5—Fe1—C6—C778.69 (16)
C2—Fe1—C1—C11122.0 (2)C3—Fe1—C6—C7164.43 (14)
C10—Fe1—C1—C1171.8 (3)C4—Fe1—C6—C7122.21 (14)
C5—Fe1—C1—C11119.2 (2)C10—C6—C7—C80.4 (2)
C3—Fe1—C1—C11159.84 (18)Fe1—C6—C7—C858.80 (14)
C7—Fe1—C1—C1137.02 (19)C10—C6—C7—Fe159.15 (14)
C4—Fe1—C1—C11156.87 (18)C9—Fe1—C7—C681.78 (15)
C6—Fe1—C1—C1165.6 (3)C1—Fe1—C7—C6163.09 (13)
C5—C1—C2—C30.2 (2)C8—Fe1—C7—C6119.5 (2)
C11—C1—C2—C3176.50 (17)C2—Fe1—C7—C6162.19 (18)
Fe1—C1—C2—C359.52 (13)C10—Fe1—C7—C637.57 (14)
C5—C1—C2—Fe159.68 (13)C5—Fe1—C7—C6119.83 (14)
C11—C1—C2—Fe1116.98 (19)C3—Fe1—C7—C645.2 (3)
C9—Fe1—C2—C1120.48 (13)C4—Fe1—C7—C678.35 (16)
C8—Fe1—C2—C178.82 (14)C9—Fe1—C7—C837.72 (13)
C10—Fe1—C2—C1161.30 (12)C1—Fe1—C7—C877.41 (15)
C5—Fe1—C2—C138.24 (11)C2—Fe1—C7—C842.7 (3)
C3—Fe1—C2—C1119.24 (17)C10—Fe1—C7—C881.93 (15)
C7—Fe1—C2—C148.4 (3)C5—Fe1—C7—C8120.67 (14)
C4—Fe1—C2—C182.14 (12)C3—Fe1—C7—C8164.7 (3)
C6—Fe1—C2—C1170.5 (2)C4—Fe1—C7—C8162.14 (13)
C9—Fe1—C2—C3120.28 (14)C6—Fe1—C7—C8119.5 (2)
C1—Fe1—C2—C3119.24 (17)C6—C7—C8—C90.1 (2)
C8—Fe1—C2—C3161.94 (13)Fe1—C7—C8—C959.47 (14)
C10—Fe1—C2—C379.46 (15)C6—C7—C8—Fe159.35 (15)
C5—Fe1—C2—C380.99 (13)C1—Fe1—C8—C9121.68 (13)
C7—Fe1—C2—C3167.6 (2)C2—Fe1—C8—C979.75 (15)
C4—Fe1—C2—C337.10 (12)C10—Fe1—C8—C938.21 (13)
C6—Fe1—C2—C351.3 (3)C5—Fe1—C8—C9162.81 (13)
C1—C2—C3—C40.1 (2)C3—Fe1—C8—C949.3 (3)
Fe1—C2—C3—C459.15 (14)C7—Fe1—C8—C9119.06 (19)
C1—C2—C3—Fe159.05 (13)C4—Fe1—C8—C9168.9 (2)
C9—Fe1—C3—C4162.80 (13)C6—Fe1—C8—C981.73 (14)
C1—Fe1—C3—C481.83 (13)C9—Fe1—C8—C7119.06 (19)
C8—Fe1—C3—C4161.81 (19)C1—Fe1—C8—C7119.27 (13)
C2—Fe1—C3—C4119.72 (17)C2—Fe1—C8—C7161.19 (13)
C10—Fe1—C3—C4119.55 (13)C10—Fe1—C8—C780.85 (14)
C5—Fe1—C3—C437.45 (12)C5—Fe1—C8—C778.13 (15)
C7—Fe1—C3—C443.4 (3)C3—Fe1—C8—C7168.39 (19)
C6—Fe1—C3—C477.94 (15)C4—Fe1—C8—C749.9 (3)
C9—Fe1—C3—C277.48 (15)C6—Fe1—C8—C737.33 (13)
C1—Fe1—C3—C237.89 (11)C7—C8—C9—C100.2 (2)
C8—Fe1—C3—C242.1 (3)Fe1—C8—C9—C1060.20 (15)
C10—Fe1—C3—C2120.73 (13)C7—C8—C9—Fe160.04 (14)
C5—Fe1—C3—C282.27 (13)C1—Fe1—C9—C875.34 (15)
C7—Fe1—C3—C2163.2 (3)C2—Fe1—C9—C8117.19 (13)
C4—Fe1—C3—C2119.72 (17)C10—Fe1—C9—C8118.59 (19)
C6—Fe1—C3—C2162.34 (12)C5—Fe1—C9—C844.3 (3)
C2—C3—C4—C50.0 (2)C3—Fe1—C9—C8158.99 (12)
Fe1—C3—C4—C558.58 (14)C7—Fe1—C9—C837.73 (12)
C2—C3—C4—Fe158.57 (13)C4—Fe1—C9—C8170.4 (2)
C9—Fe1—C4—C342.0 (3)C6—Fe1—C9—C881.26 (14)
C1—Fe1—C4—C381.97 (13)C1—Fe1—C9—C10166.07 (13)
C8—Fe1—C4—C3157.4 (2)C8—Fe1—C9—C10118.59 (19)
C2—Fe1—C4—C337.74 (12)C2—Fe1—C9—C10124.22 (14)
C10—Fe1—C4—C379.98 (15)C5—Fe1—C9—C10162.9 (2)
C5—Fe1—C4—C3119.99 (18)C3—Fe1—C9—C1082.42 (15)
C7—Fe1—C4—C3164.98 (12)C7—Fe1—C9—C1080.85 (14)
C6—Fe1—C4—C3122.71 (13)C4—Fe1—C9—C1051.8 (3)
C9—Fe1—C4—C5162.0 (2)C6—Fe1—C9—C1037.32 (13)
C1—Fe1—C4—C538.02 (12)C7—C6—C10—C90.4 (2)
C8—Fe1—C4—C537.4 (3)Fe1—C6—C10—C958.94 (14)
C2—Fe1—C4—C582.24 (13)C7—C6—C10—Fe159.38 (15)
C10—Fe1—C4—C5160.04 (13)C8—C9—C10—C60.4 (2)
C3—Fe1—C4—C5119.99 (18)Fe1—C9—C10—C659.77 (15)
C7—Fe1—C4—C575.03 (15)C8—C9—C10—Fe160.14 (14)
C6—Fe1—C4—C5117.30 (13)C9—Fe1—C10—C6119.34 (19)
C3—C4—C5—C10.1 (2)C1—Fe1—C10—C6155.7 (2)
Fe1—C4—C5—C158.84 (13)C8—Fe1—C10—C681.45 (14)
C3—C4—C5—Fe158.94 (14)C2—Fe1—C10—C6166.68 (12)
C2—C1—C5—C40.2 (2)C5—Fe1—C10—C644.3 (3)
C11—C1—C5—C4176.60 (17)C3—Fe1—C10—C6123.67 (13)
Fe1—C1—C5—C459.47 (13)C7—Fe1—C10—C637.59 (13)
C2—C1—C5—Fe159.63 (13)C4—Fe1—C10—C681.35 (15)
C11—C1—C5—Fe1117.13 (18)C1—Fe1—C10—C936.3 (3)
C9—Fe1—C5—C4160.9 (2)C8—Fe1—C10—C937.90 (13)
C1—Fe1—C5—C4119.27 (18)C2—Fe1—C10—C973.97 (16)
C8—Fe1—C5—C4166.32 (13)C5—Fe1—C10—C9163.6 (2)
C2—Fe1—C5—C481.15 (14)C3—Fe1—C10—C9116.99 (14)
C10—Fe1—C5—C450.5 (3)C7—Fe1—C10—C981.76 (15)
C3—Fe1—C5—C437.00 (13)C4—Fe1—C10—C9159.31 (14)
C7—Fe1—C5—C4124.49 (13)C6—Fe1—C10—C9119.34 (19)
C6—Fe1—C5—C482.79 (15)C2—C1—C11—N190.1 (2)
C9—Fe1—C5—C141.6 (3)C5—C1—C11—N193.8 (2)
C8—Fe1—C5—C174.41 (14)Fe1—C1—C11—N1178.85 (12)
C2—Fe1—C5—C138.12 (11)C1—C11—N1—C1367.3 (2)
C10—Fe1—C5—C1169.7 (2)C1—C11—N1—C12168.35 (17)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O2W—H2WA···Cl10.84 (2)2.32 (2)3.161 (2)174 (3)
O2W—H2WB···O1W0.85 (2)1.87 (2)2.712 (3)176 (3)
N1—HN1···Cl1i0.962.133.0783 (18)168
O1W—H1WA···O2Wii0.84 (2)1.91 (2)2.744 (3)175 (3)
O1W—H1WB···Cl1iii0.84 (2)2.36 (2)3.195 (3)171 (2)
O2W—H2WA···Cl10.84 (2)2.32 (2)3.161 (2)174 (3)
O2W—H2WB···O1W0.84 (2)1.87 (2)2.712 (3)176 (3)
Symmetry codes: (i) x, y+1, z; (ii) x, y+1/2, z+1/2; (iii) x, y+1/2, z+1/2.
 

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