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The crystal structure of a new polymorph of (p-nitro­phen­yl)ferrocene, [Fe(C5H5)(C11H8NO2)], has been determined at room temperature. The bond lengths and angles in the mol­ecule are normal. The crystal structure is stabilized by inter­molecular C—H...O hydrogen bonds and van der Waals forces.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806050185/lh2253sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806050185/lh2253Isup2.hkl
Contains datablock I

CCDC reference: 630173

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.042
  • wR factor = 0.101
  • Data-to-parameter ratio = 12.7

checkCIF/PLATON results

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Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 - C5 .. 5.66 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe1
Alert level G PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 1999); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(p-nitrophenyl)ferrocene top
Crystal data top
[Fe(C5H5)(C11H8NO2)]F(000) = 1264
Mr = 307.12Dx = 1.549 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2abCell parameters from 1528 reflections
a = 10.416 (2) Åθ = 2.4–22.4°
b = 7.6525 (14) ŵ = 1.14 mm1
c = 33.053 (6) ÅT = 298 K
V = 2634.6 (8) Å3Block, red
Z = 80.49 × 0.46 × 0.38 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
2314 independent reflections
Radiation source: fine-focus sealed tube2036 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
φ and ω scansθmax = 25.0°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1112
Tmin = 0.586, Tmax = 0.650k = 99
12560 measured reflectionsl = 3039
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.042H-atom parameters constrained
wR(F2) = 0.101 w = 1/[σ2(Fo2) + (0.0317P)2 + 3.1111P]
where P = (Fo2 + 2Fc2)/3
S = 1.18(Δ/σ)max = 0.001
2314 reflectionsΔρmax = 0.36 e Å3
182 parametersΔρmin = 0.31 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0061 (5)
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
Fe10.99206 (4)0.17482 (5)0.576629 (12)0.03533 (18)
O11.2386 (3)0.2672 (5)0.79742 (9)0.0981 (11)
O21.0632 (4)0.1251 (5)0.80727 (8)0.0908 (10)
N11.1474 (4)0.1814 (5)0.78530 (10)0.0677 (10)
C10.9049 (5)0.3715 (6)0.60696 (12)0.0740 (14)
H1A0.92270.40800.63480.089*
C20.8149 (4)0.2535 (6)0.59500 (15)0.0736 (12)
H2A0.75810.18780.61310.088*
C30.8162 (4)0.2403 (5)0.55415 (15)0.0680 (11)
H3A0.76080.16360.53810.082*
C40.9085 (4)0.3504 (5)0.53886 (11)0.0621 (10)
H4A0.92900.36750.51020.075*
C50.9671 (4)0.4344 (5)0.57146 (16)0.0751 (14)
H5A1.03450.52360.57010.090*
C61.1408 (3)0.0520 (5)0.54765 (10)0.0517 (9)
H6A1.17420.08210.52080.062*
C71.1825 (3)0.1240 (5)0.58475 (9)0.0446 (8)
H7A1.25040.21150.58810.054*
C81.1080 (3)0.0480 (4)0.61645 (9)0.0348 (6)
C91.0199 (3)0.0714 (4)0.59801 (10)0.0423 (7)
H9A0.95630.14320.61210.051*
C101.0413 (4)0.0672 (5)0.55563 (10)0.0530 (9)
H10A0.99400.13480.53530.064*
C111.1173 (3)0.0876 (4)0.65983 (9)0.0365 (7)
C121.2245 (3)0.1689 (4)0.67582 (10)0.0471 (8)
H12A1.29150.20090.65880.056*
C131.2337 (4)0.2031 (5)0.71677 (10)0.0533 (9)
H13A1.30480.26120.72720.064*
C141.1363 (4)0.1500 (4)0.74170 (9)0.0493 (8)
C151.0281 (3)0.0680 (5)0.72696 (10)0.0526 (9)
H15A0.96320.03200.74440.063*
C161.0183 (3)0.0406 (5)0.68600 (10)0.0465 (8)
H16A0.94430.01020.67560.056*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0355 (3)0.0337 (3)0.0368 (3)0.00367 (18)0.00009 (18)0.00074 (19)
O10.091 (2)0.140 (3)0.0626 (18)0.019 (2)0.0275 (18)0.034 (2)
O20.132 (3)0.096 (2)0.0446 (16)0.016 (2)0.0098 (19)0.0096 (16)
N10.088 (3)0.071 (2)0.0448 (19)0.030 (2)0.0093 (19)0.0068 (17)
C10.107 (4)0.066 (3)0.048 (2)0.051 (3)0.014 (2)0.018 (2)
C20.056 (2)0.074 (3)0.091 (3)0.028 (2)0.019 (2)0.017 (3)
C30.048 (2)0.052 (2)0.104 (3)0.0117 (19)0.025 (2)0.001 (2)
C40.079 (3)0.058 (2)0.049 (2)0.027 (2)0.0031 (19)0.0115 (18)
C50.060 (2)0.0253 (18)0.140 (4)0.0022 (16)0.016 (3)0.001 (2)
C60.0481 (19)0.068 (2)0.0390 (18)0.0185 (18)0.0052 (15)0.0026 (17)
C70.0308 (15)0.054 (2)0.0489 (19)0.0037 (14)0.0039 (13)0.0045 (15)
C80.0312 (14)0.0330 (15)0.0403 (16)0.0051 (12)0.0029 (12)0.0020 (13)
C90.0442 (18)0.0284 (15)0.054 (2)0.0013 (13)0.0058 (14)0.0006 (14)
C100.062 (2)0.046 (2)0.050 (2)0.0187 (17)0.0130 (17)0.0166 (16)
C110.0356 (16)0.0316 (15)0.0424 (17)0.0026 (12)0.0044 (13)0.0061 (13)
C120.0439 (18)0.0493 (19)0.0480 (18)0.0063 (15)0.0039 (14)0.0044 (16)
C130.054 (2)0.052 (2)0.054 (2)0.0029 (17)0.0154 (17)0.0055 (16)
C140.064 (2)0.0460 (18)0.0376 (17)0.0131 (17)0.0076 (16)0.0008 (14)
C150.058 (2)0.053 (2)0.046 (2)0.0067 (17)0.0102 (16)0.0055 (16)
C160.0388 (17)0.051 (2)0.0491 (19)0.0036 (15)0.0027 (14)0.0002 (16)
Geometric parameters (Å, º) top
Fe1—C52.011 (4)C5—H5A0.9800
Fe1—C12.024 (4)C6—C101.405 (5)
Fe1—C42.030 (3)C6—C71.413 (5)
Fe1—C92.033 (3)C6—H6A0.9800
Fe1—C82.033 (3)C7—C81.428 (4)
Fe1—C22.034 (4)C7—H7A0.9800
Fe1—C72.039 (3)C8—C91.431 (4)
Fe1—C32.040 (4)C8—C111.469 (4)
Fe1—C102.043 (3)C9—C101.419 (5)
Fe1—C62.049 (3)C9—H9A0.9800
O1—N11.222 (5)C10—H10A0.9800
O2—N11.218 (5)C11—C121.383 (4)
N1—C141.466 (4)C11—C161.393 (4)
C1—C21.361 (6)C12—C131.382 (5)
C1—C51.424 (6)C12—H12A0.9300
C1—H1A0.9800C13—C141.368 (5)
C2—C31.354 (6)C13—H13A0.9300
C2—H2A0.9800C14—C151.379 (5)
C3—C41.375 (6)C15—C161.374 (5)
C3—H3A0.9800C15—H15A0.9300
C4—C51.396 (6)C16—H16A0.9300
C4—H4A0.9800
C5—Fe1—C141.34 (18)C2—C3—H3A125.4
C5—Fe1—C440.41 (17)C4—C3—H3A125.4
C1—Fe1—C467.67 (16)Fe1—C3—H3A125.4
C5—Fe1—C9164.48 (18)C3—C4—C5107.7 (4)
C1—Fe1—C9125.53 (17)C3—C4—Fe170.6 (2)
C4—Fe1—C9152.66 (16)C5—C4—Fe169.1 (2)
C5—Fe1—C8127.12 (16)C3—C4—H4A126.1
C1—Fe1—C8107.51 (14)C5—C4—H4A126.1
C4—Fe1—C8165.65 (16)Fe1—C4—H4A126.1
C9—Fe1—C841.21 (12)C4—C5—C1106.4 (4)
C5—Fe1—C267.40 (18)C4—C5—Fe170.5 (2)
C1—Fe1—C239.19 (18)C1—C5—Fe169.8 (2)
C4—Fe1—C266.35 (17)C4—C5—H5A126.8
C9—Fe1—C2107.46 (16)C1—C5—H5A126.8
C8—Fe1—C2119.15 (16)Fe1—C5—H5A126.8
C5—Fe1—C7108.98 (16)C10—C6—C7108.5 (3)
C1—Fe1—C7120.86 (18)C10—C6—Fe169.68 (19)
C4—Fe1—C7128.62 (16)C7—C6—Fe169.40 (18)
C9—Fe1—C768.82 (13)C10—C6—H6A125.7
C8—Fe1—C741.05 (12)C7—C6—H6A125.7
C2—Fe1—C7154.13 (18)Fe1—C6—H6A125.7
C5—Fe1—C367.05 (17)C6—C7—C8108.1 (3)
C1—Fe1—C366.09 (18)C6—C7—Fe170.16 (18)
C4—Fe1—C339.48 (16)C8—C7—Fe169.24 (16)
C9—Fe1—C3118.86 (15)C6—C7—H7A126.0
C8—Fe1—C3152.48 (16)C8—C7—H7A126.0
C2—Fe1—C338.83 (17)Fe1—C7—H7A126.0
C7—Fe1—C3165.61 (17)C7—C8—C9107.2 (3)
C5—Fe1—C10154.04 (19)C7—C8—C11126.6 (3)
C1—Fe1—C10162.8 (2)C9—C8—C11126.1 (3)
C4—Fe1—C10119.90 (15)C7—C8—Fe169.71 (16)
C9—Fe1—C1040.74 (14)C9—C8—Fe169.39 (16)
C8—Fe1—C1068.79 (13)C11—C8—Fe1124.9 (2)
C2—Fe1—C10126.68 (19)C10—C9—C8107.8 (3)
C7—Fe1—C1068.15 (15)C10—C9—Fe170.02 (19)
C3—Fe1—C10108.93 (16)C8—C9—Fe169.40 (17)
C5—Fe1—C6120.74 (18)C10—C9—H9A126.1
C1—Fe1—C6155.7 (2)C8—C9—H9A126.1
C4—Fe1—C6109.88 (15)Fe1—C9—H9A126.1
C9—Fe1—C668.26 (14)C6—C10—C9108.4 (3)
C8—Fe1—C668.57 (12)C6—C10—Fe170.15 (19)
C2—Fe1—C6163.95 (19)C9—C10—Fe169.24 (18)
C7—Fe1—C640.44 (13)C6—C10—H10A125.8
C3—Fe1—C6128.41 (17)C9—C10—H10A125.8
C10—Fe1—C640.17 (15)Fe1—C10—H10A125.8
O2—N1—O1123.7 (4)C12—C11—C16118.4 (3)
O2—N1—C14118.1 (4)C12—C11—C8121.3 (3)
O1—N1—C14118.1 (4)C16—C11—C8120.3 (3)
C2—C1—C5107.4 (4)C13—C12—C11121.0 (3)
C2—C1—Fe170.8 (2)C13—C12—H12A119.5
C5—C1—Fe168.8 (2)C11—C12—H12A119.5
C2—C1—H1A126.3C14—C13—C12118.8 (3)
C5—C1—H1A126.3C14—C13—H13A120.6
Fe1—C1—H1A126.3C12—C13—H13A120.6
C3—C2—C1109.4 (4)C13—C14—C15121.9 (3)
C3—C2—Fe170.8 (2)C13—C14—N1119.0 (3)
C1—C2—Fe170.0 (2)C15—C14—N1119.1 (3)
C3—C2—H2A125.3C16—C15—C14118.6 (3)
C1—C2—H2A125.3C16—C15—H15A120.7
Fe1—C2—H2A125.3C14—C15—H15A120.7
C2—C3—C4109.2 (4)C15—C16—C11121.2 (3)
C2—C3—Fe170.4 (2)C15—C16—H16A119.4
C4—C3—Fe169.9 (2)C11—C16—H16A119.4
C5—Fe1—C1—C2118.3 (4)Fe1—C6—C7—C859.1 (2)
C4—Fe1—C1—C279.5 (3)C10—C6—C7—Fe158.9 (2)
C9—Fe1—C1—C273.0 (3)C5—Fe1—C7—C6115.4 (3)
C8—Fe1—C1—C2114.9 (3)C1—Fe1—C7—C6159.4 (2)
C7—Fe1—C1—C2157.8 (2)C4—Fe1—C7—C674.5 (3)
C3—Fe1—C1—C236.4 (3)C9—Fe1—C7—C680.9 (2)
C10—Fe1—C1—C240.2 (6)C8—Fe1—C7—C6119.3 (3)
C6—Fe1—C1—C2168.5 (3)C2—Fe1—C7—C6167.4 (4)
C4—Fe1—C1—C538.8 (3)C3—Fe1—C7—C644.0 (7)
C9—Fe1—C1—C5168.7 (2)C10—Fe1—C7—C637.0 (2)
C8—Fe1—C1—C5126.8 (2)C5—Fe1—C7—C8125.2 (2)
C2—Fe1—C1—C5118.3 (4)C1—Fe1—C7—C881.2 (3)
C7—Fe1—C1—C583.9 (3)C4—Fe1—C7—C8166.1 (2)
C3—Fe1—C1—C581.9 (3)C9—Fe1—C7—C838.41 (18)
C10—Fe1—C1—C5158.5 (4)C2—Fe1—C7—C848.1 (4)
C6—Fe1—C1—C550.2 (5)C3—Fe1—C7—C8163.4 (6)
C5—C1—C2—C30.7 (4)C10—Fe1—C7—C882.3 (2)
Fe1—C1—C2—C360.1 (3)C6—Fe1—C7—C8119.3 (3)
C5—C1—C2—Fe159.4 (3)C6—C7—C8—C90.1 (3)
C5—Fe1—C2—C381.0 (3)Fe1—C7—C8—C959.5 (2)
C1—Fe1—C2—C3120.1 (4)C6—C7—C8—C11178.7 (3)
C4—Fe1—C2—C336.9 (3)Fe1—C7—C8—C11119.1 (3)
C9—Fe1—C2—C3114.6 (3)C6—C7—C8—Fe159.6 (2)
C8—Fe1—C2—C3157.9 (2)C5—Fe1—C8—C775.6 (3)
C7—Fe1—C2—C3168.1 (3)C1—Fe1—C8—C7117.2 (2)
C10—Fe1—C2—C373.7 (3)C4—Fe1—C8—C749.1 (6)
C6—Fe1—C2—C342.7 (7)C9—Fe1—C8—C7118.4 (3)
C5—Fe1—C2—C139.1 (3)C2—Fe1—C8—C7158.2 (2)
C4—Fe1—C2—C183.2 (3)C3—Fe1—C8—C7171.1 (3)
C9—Fe1—C2—C1125.3 (3)C10—Fe1—C8—C780.7 (2)
C8—Fe1—C2—C182.0 (3)C6—Fe1—C8—C737.4 (2)
C7—Fe1—C2—C148.0 (5)C5—Fe1—C8—C9165.9 (2)
C3—Fe1—C2—C1120.1 (4)C1—Fe1—C8—C9124.4 (2)
C10—Fe1—C2—C1166.2 (2)C4—Fe1—C8—C9167.6 (5)
C6—Fe1—C2—C1162.8 (5)C2—Fe1—C8—C983.4 (3)
C1—C2—C3—C40.3 (5)C7—Fe1—C8—C9118.4 (3)
Fe1—C2—C3—C459.3 (3)C3—Fe1—C8—C952.7 (4)
C1—C2—C3—Fe159.6 (3)C10—Fe1—C8—C937.8 (2)
C5—Fe1—C3—C282.0 (3)C6—Fe1—C8—C981.0 (2)
C1—Fe1—C3—C236.7 (3)C5—Fe1—C8—C1145.5 (3)
C4—Fe1—C3—C2120.1 (4)C1—Fe1—C8—C114.0 (3)
C9—Fe1—C3—C282.0 (3)C4—Fe1—C8—C1172.0 (6)
C8—Fe1—C3—C245.3 (4)C9—Fe1—C8—C11120.4 (3)
C7—Fe1—C3—C2158.7 (6)C2—Fe1—C8—C1137.0 (3)
C10—Fe1—C3—C2125.5 (3)C7—Fe1—C8—C11121.2 (3)
C6—Fe1—C3—C2166.1 (3)C3—Fe1—C8—C1167.7 (4)
C5—Fe1—C3—C438.1 (3)C10—Fe1—C8—C11158.2 (3)
C1—Fe1—C3—C483.4 (3)C6—Fe1—C8—C11158.6 (3)
C9—Fe1—C3—C4157.8 (2)C7—C8—C9—C100.0 (3)
C8—Fe1—C3—C4165.4 (3)C11—C8—C9—C10178.6 (3)
C2—Fe1—C3—C4120.1 (4)Fe1—C8—C9—C1059.7 (2)
C7—Fe1—C3—C438.6 (7)C7—C8—C9—Fe159.7 (2)
C10—Fe1—C3—C4114.4 (3)C11—C8—C9—Fe1118.9 (3)
C6—Fe1—C3—C473.7 (3)C5—Fe1—C9—C10165.4 (5)
C2—C3—C4—C50.3 (4)C1—Fe1—C9—C10165.8 (2)
Fe1—C3—C4—C559.3 (3)C4—Fe1—C9—C1054.4 (4)
C2—C3—C4—Fe159.6 (3)C8—Fe1—C9—C10119.0 (3)
C5—Fe1—C4—C3118.7 (4)C2—Fe1—C9—C10126.5 (2)
C1—Fe1—C4—C379.0 (3)C7—Fe1—C9—C1080.7 (2)
C9—Fe1—C4—C346.0 (4)C3—Fe1—C9—C1085.9 (3)
C8—Fe1—C4—C3152.0 (5)C6—Fe1—C9—C1037.1 (2)
C2—Fe1—C4—C336.3 (3)C5—Fe1—C9—C846.5 (6)
C7—Fe1—C4—C3168.6 (2)C1—Fe1—C9—C875.3 (3)
C10—Fe1—C4—C383.7 (3)C4—Fe1—C9—C8173.3 (3)
C6—Fe1—C4—C3126.9 (3)C2—Fe1—C9—C8114.6 (2)
C1—Fe1—C4—C539.7 (3)C7—Fe1—C9—C838.26 (17)
C9—Fe1—C4—C5164.7 (3)C3—Fe1—C9—C8155.2 (2)
C8—Fe1—C4—C533.3 (7)C10—Fe1—C9—C8119.0 (3)
C2—Fe1—C4—C582.4 (3)C6—Fe1—C9—C881.9 (2)
C7—Fe1—C4—C572.8 (3)C7—C6—C10—C90.2 (4)
C3—Fe1—C4—C5118.7 (4)Fe1—C6—C10—C958.9 (2)
C10—Fe1—C4—C5157.6 (3)C7—C6—C10—Fe158.7 (2)
C6—Fe1—C4—C5114.4 (3)C8—C9—C10—C60.1 (4)
C3—C4—C5—C10.7 (4)Fe1—C9—C10—C659.4 (2)
Fe1—C4—C5—C161.0 (3)C8—C9—C10—Fe159.3 (2)
C3—C4—C5—Fe160.3 (3)C5—Fe1—C10—C651.5 (4)
C2—C1—C5—C40.8 (4)C1—Fe1—C10—C6162.2 (5)
Fe1—C1—C5—C461.5 (3)C4—Fe1—C10—C685.8 (2)
C2—C1—C5—Fe160.6 (3)C9—Fe1—C10—C6119.7 (3)
C1—Fe1—C5—C4116.6 (4)C8—Fe1—C10—C681.5 (2)
C9—Fe1—C5—C4153.0 (5)C2—Fe1—C10—C6167.3 (2)
C8—Fe1—C5—C4170.2 (2)C7—Fe1—C10—C637.22 (19)
C2—Fe1—C5—C479.5 (3)C3—Fe1—C10—C6127.7 (2)
C7—Fe1—C5—C4127.9 (2)C5—Fe1—C10—C9171.2 (3)
C3—Fe1—C5—C437.3 (3)C1—Fe1—C10—C942.5 (6)
C10—Fe1—C5—C449.0 (5)C4—Fe1—C10—C9154.5 (2)
C6—Fe1—C5—C484.9 (3)C8—Fe1—C10—C938.20 (18)
C4—Fe1—C5—C1116.6 (4)C2—Fe1—C10—C973.1 (3)
C9—Fe1—C5—C136.4 (7)C7—Fe1—C10—C982.5 (2)
C8—Fe1—C5—C173.2 (3)C3—Fe1—C10—C9112.6 (2)
C2—Fe1—C5—C137.1 (3)C6—Fe1—C10—C9119.7 (3)
C7—Fe1—C5—C1115.5 (3)C7—C8—C11—C1218.3 (5)
C3—Fe1—C5—C179.3 (3)C9—C8—C11—C12163.3 (3)
C10—Fe1—C5—C1165.6 (3)Fe1—C8—C11—C12107.9 (3)
C6—Fe1—C5—C1158.4 (2)C7—C8—C11—C16162.9 (3)
C5—Fe1—C6—C10156.5 (2)C9—C8—C11—C1615.4 (4)
C1—Fe1—C6—C10167.3 (3)Fe1—C8—C11—C1673.3 (4)
C4—Fe1—C6—C10113.2 (2)C16—C11—C12—C130.1 (5)
C9—Fe1—C6—C1037.6 (2)C8—C11—C12—C13178.9 (3)
C8—Fe1—C6—C1082.1 (2)C11—C12—C13—C142.1 (5)
C2—Fe1—C6—C1039.8 (6)C12—C13—C14—C151.8 (5)
C7—Fe1—C6—C10120.0 (3)C12—C13—C14—N1178.2 (3)
C3—Fe1—C6—C1072.7 (3)O2—N1—C14—C13176.1 (3)
C5—Fe1—C6—C783.4 (3)O1—N1—C14—C136.0 (5)
C1—Fe1—C6—C747.2 (4)O2—N1—C14—C153.9 (5)
C4—Fe1—C6—C7126.8 (2)O1—N1—C14—C15173.9 (3)
C9—Fe1—C6—C782.4 (2)C13—C14—C15—C160.5 (5)
C8—Fe1—C6—C738.0 (2)N1—C14—C15—C16179.5 (3)
C2—Fe1—C6—C7159.8 (5)C14—C15—C16—C112.6 (5)
C3—Fe1—C6—C7167.3 (2)C12—C11—C16—C152.4 (5)
C10—Fe1—C6—C7120.0 (3)C8—C11—C16—C15176.5 (3)
C10—C6—C7—C80.2 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1A···O2i0.982.543.451 (5)155
Symmetry code: (i) x+2, y+1/2, z+3/2.
 

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