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In the title compound, [Fe(C10H15)(C18H15P)(CO)2]PF6, the FeII atom is coordinated by two carbon­yl groups, a triphenyl­phosphine ligand and a penta­methyl­cyclo­penta­dien­yl ligand in a typical piano-stool structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805017344/is6084sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805017344/is6084Isup2.hkl
Contains datablock I

CCDC reference: 277703

Key indicators

  • Single-crystal X-ray study
  • T = 153 K
  • R factor = 0.063
  • wR factor = 0.176
  • Data-to-parameter ratio = 18.0

checkCIF/PLATON results

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No errors found in this datablock

Computing details top

Data collection: CrystalClear (Rigaku, 2001); cell refinement: CrystalClear; data reduction: TEXSAN (Molecular Structure Corporation, 2004); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.

(I) top
Crystal data top
[Fe(C10H15)(C18H15P)(CO)2]·PF6F(000) = 2688.00
Mr = 654.35Dx = 1.484 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.7107 Å
Hall symbol: -p_2ac_2abCell parameters from 11285 reflections
a = 17.534 (1) Åθ = 3.0–27.5°
b = 15.616 (1) ŵ = 0.69 mm1
c = 21.394 (2) ÅT = 153 K
V = 5858.0 (6) Å3Block, yellow
Z = 80.30 × 0.13 × 0.08 mm
Data collection top
Rigaku/MSC Mercury CCD
diffractometer
4973 reflections with I > 2σ(I)
Detector resolution: 14.62 pixels mm-1Rint = 0.065
ω scansθmax = 27.5°
Absorption correction: multi-scan
(Jacobson, 1998)
h = 1722
Tmin = 0.781, Tmax = 0.946k = 2016
45741 measured reflectionsl = 2727
6674 independent reflections
Refinement top
Refinement on F2H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.063 w = 1/[σ2(Fo2) + (0.0831P)2 + 2.6059P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.176(Δ/σ)max = 0.001
S = 1.11Δρmax = 0.90 e Å3
6674 reflectionsΔρmin = 0.53 e Å3
370 parameters
Special details top

Refinement. Refinement was carried out using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Fe10.50951 (3)0.21215 (3)0.59485 (2)0.02024 (15)
P10.53197 (5)0.16500 (6)0.69260 (4)0.0188 (2)
P20.21169 (7)0.06732 (8)0.55370 (6)0.0378 (3)
F10.2136 (3)0.1604 (3)0.5275 (2)0.1150 (17)
F20.2079 (3)0.0265 (3)0.5806 (2)0.127 (2)
F30.2982 (2)0.0554 (4)0.5543 (3)0.146 (2)
F40.1226 (3)0.0716 (3)0.5539 (4)0.159 (3)
F50.2184 (4)0.1058 (3)0.62079 (19)0.132 (2)
F60.2043 (4)0.0287 (4)0.4877 (2)0.160 (3)
O10.36253 (16)0.28513 (19)0.63058 (15)0.0379 (7)
O20.45746 (18)0.0452 (2)0.55102 (16)0.0459 (9)
C10.5370 (2)0.2390 (3)0.50091 (19)0.0311 (9)
C20.5138 (3)0.3156 (3)0.53093 (19)0.0330 (9)
C30.5649 (3)0.3321 (2)0.5813 (2)0.0342 (10)
C40.6213 (2)0.2660 (3)0.5810 (2)0.0317 (9)
C50.6045 (2)0.2085 (2)0.5316 (2)0.0287 (9)
C60.5036 (3)0.2011 (4)0.4422 (2)0.0539 (14)
H10.45020.18850.44840.054*
H20.50740.24050.40820.054*
H30.52890.14950.43130.054*
C70.4505 (3)0.3734 (4)0.5092 (3)0.0592 (16)
H40.44450.42000.53730.059*
H50.45930.39340.46850.059*
H60.40250.34150.50910.059*
C80.5663 (4)0.4136 (3)0.6186 (2)0.0601 (17)
H70.60470.41090.65010.060*
H80.57710.46140.59190.060*
H90.51810.42350.63830.060*
C90.6920 (3)0.2652 (4)0.6186 (3)0.0591 (16)
H100.69790.21150.63920.059*
H110.73480.27510.59250.059*
H120.69000.30930.64980.059*
C100.6544 (3)0.1378 (3)0.5081 (2)0.0470 (12)
H130.66480.09860.54160.047*
H140.63180.10880.47480.047*
H150.70280.16130.49480.047*
C110.4200 (2)0.2548 (2)0.61829 (19)0.0266 (8)
C120.4761 (2)0.1106 (3)0.5698 (2)0.0289 (8)
C130.57698 (19)0.2427 (2)0.74462 (17)0.0197 (7)
C140.5369 (2)0.3186 (2)0.75617 (18)0.0250 (8)
H160.48780.32650.73680.025*
C150.5669 (2)0.3813 (2)0.79446 (19)0.0295 (9)
H170.53860.43350.80200.029*
C160.6386 (2)0.3692 (3)0.8222 (2)0.0318 (9)
H180.65970.41200.84920.032*
C170.6780 (2)0.2942 (3)0.8118 (2)0.0309 (9)
H190.72660.28490.83090.031*
C180.6480 (2)0.2308 (2)0.7731 (2)0.0269 (8)
H200.67540.17920.76610.027*
C190.4453 (2)0.1376 (2)0.73659 (18)0.0228 (8)
C200.4420 (2)0.1480 (3)0.8012 (2)0.0335 (9)
H210.48390.17440.82310.034*
C210.3775 (3)0.1226 (3)0.8346 (2)0.0405 (11)
H220.37690.13000.87950.041*
C220.3164 (2)0.0855 (3)0.8041 (2)0.0361 (10)
H230.27200.06870.82780.036*
C230.3193 (2)0.0737 (3)0.7405 (2)0.0337 (10)
H240.27740.04670.71910.034*
C240.3828 (2)0.1001 (2)0.70642 (19)0.0252 (8)
H250.38400.09130.66190.025*
C250.5874 (2)0.0655 (2)0.70000 (19)0.0242 (8)
C260.6011 (2)0.0299 (2)0.7590 (2)0.0304 (9)
H260.58440.05830.79610.030*
C270.6391 (2)0.0480 (3)0.7643 (2)0.0368 (11)
H270.64810.07210.80490.037*
C280.6637 (2)0.0907 (3)0.7105 (3)0.0415 (12)
H280.69090.14330.71400.042*
C290.6500 (2)0.0561 (3)0.6522 (2)0.0375 (11)
H290.66580.08540.61500.038*
C300.6126 (2)0.0227 (2)0.6471 (2)0.0297 (9)
H300.60390.04820.60630.030*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0193 (3)0.0178 (3)0.0236 (3)0.00149 (19)0.0002 (2)0.0031 (2)
P10.0148 (4)0.0158 (4)0.0259 (5)0.0004 (3)0.0009 (3)0.0001 (4)
P20.0375 (7)0.0424 (7)0.0336 (6)0.0100 (5)0.0095 (5)0.0023 (5)
F10.152 (5)0.076 (3)0.117 (4)0.015 (3)0.037 (3)0.051 (3)
F20.180 (5)0.059 (3)0.143 (4)0.004 (3)0.053 (4)0.032 (3)
F30.042 (2)0.173 (5)0.224 (7)0.029 (3)0.011 (3)0.060 (5)
F40.046 (3)0.126 (4)0.304 (9)0.005 (3)0.004 (4)0.002 (5)
F50.231 (6)0.112 (4)0.055 (2)0.060 (4)0.027 (3)0.034 (2)
F60.226 (7)0.189 (6)0.064 (3)0.034 (5)0.054 (4)0.052 (3)
O10.0276 (16)0.0362 (16)0.050 (2)0.0123 (13)0.0061 (14)0.0007 (14)
O20.0364 (18)0.0389 (18)0.063 (2)0.0075 (14)0.0044 (16)0.0269 (16)
C10.034 (2)0.035 (2)0.025 (2)0.0023 (17)0.0046 (17)0.0021 (17)
C20.041 (2)0.030 (2)0.028 (2)0.0082 (17)0.0084 (18)0.0089 (17)
C30.052 (3)0.0186 (18)0.032 (2)0.0092 (17)0.0112 (19)0.0002 (16)
C40.027 (2)0.038 (2)0.030 (2)0.0095 (17)0.0018 (17)0.0070 (17)
C50.028 (2)0.027 (2)0.031 (2)0.0024 (15)0.0098 (17)0.0015 (16)
C60.058 (3)0.078 (4)0.025 (2)0.003 (3)0.004 (2)0.009 (2)
C70.063 (4)0.058 (3)0.057 (3)0.031 (3)0.014 (3)0.030 (3)
C80.113 (5)0.028 (2)0.039 (3)0.024 (3)0.028 (3)0.008 (2)
C90.037 (3)0.097 (4)0.044 (3)0.032 (3)0.004 (2)0.025 (3)
C100.044 (3)0.040 (3)0.057 (3)0.009 (2)0.023 (2)0.004 (2)
C110.028 (2)0.0229 (18)0.029 (2)0.0022 (16)0.0028 (16)0.0017 (16)
C120.0222 (19)0.030 (2)0.034 (2)0.0003 (15)0.0022 (16)0.0080 (17)
C130.0175 (17)0.0186 (16)0.0230 (18)0.0029 (13)0.0011 (14)0.0033 (14)
C140.0219 (18)0.0245 (18)0.028 (2)0.0011 (14)0.0025 (15)0.0023 (15)
C150.038 (2)0.0206 (18)0.030 (2)0.0028 (16)0.0009 (18)0.0007 (16)
C160.040 (2)0.025 (2)0.030 (2)0.0110 (17)0.0068 (18)0.0024 (17)
C170.026 (2)0.032 (2)0.034 (2)0.0093 (16)0.0103 (17)0.0053 (17)
C180.0218 (19)0.0222 (19)0.037 (2)0.0028 (14)0.0037 (16)0.0048 (16)
C190.0194 (18)0.0178 (16)0.031 (2)0.0001 (13)0.0006 (15)0.0033 (15)
C200.029 (2)0.041 (2)0.030 (2)0.0094 (17)0.0008 (17)0.0012 (18)
C210.035 (2)0.049 (3)0.037 (2)0.008 (2)0.010 (2)0.005 (2)
C220.023 (2)0.032 (2)0.053 (3)0.0017 (16)0.0131 (19)0.005 (2)
C230.0177 (19)0.027 (2)0.057 (3)0.0046 (15)0.0000 (18)0.0040 (19)
C240.0186 (18)0.0224 (18)0.035 (2)0.0015 (14)0.0011 (16)0.0011 (16)
C250.0161 (17)0.0156 (16)0.041 (2)0.0036 (13)0.0024 (15)0.0028 (16)
C260.028 (2)0.0223 (19)0.041 (2)0.0041 (15)0.0032 (18)0.0066 (17)
C270.025 (2)0.025 (2)0.060 (3)0.0040 (16)0.008 (2)0.015 (2)
C280.025 (2)0.0179 (19)0.082 (4)0.0050 (15)0.001 (2)0.008 (2)
C290.031 (2)0.023 (2)0.059 (3)0.0060 (16)0.004 (2)0.007 (2)
C300.0206 (19)0.0232 (19)0.045 (3)0.0001 (14)0.0010 (17)0.0006 (17)
Geometric parameters (Å, º) top
Fe1—C12.109 (4)C9—H110.949
Fe1—C22.118 (4)C9—H120.959
Fe1—C32.130 (4)C10—H130.960
Fe1—C42.154 (4)C10—H140.933
Fe1—C52.147 (4)C10—H150.967
Fe1—C111.776 (4)C13—C181.398 (5)
Fe1—C121.773 (4)C13—C141.399 (5)
Fe1—P12.2519 (11)C14—C151.380 (5)
P1—C131.826 (4)C14—H160.964
P1—C191.838 (4)C15—C161.404 (6)
P1—C251.839 (4)C15—H170.966
P2—F11.559 (4)C16—C171.379 (6)
P2—F21.575 (4)C16—H180.957
P2—F31.528 (4)C17—C181.393 (5)
P2—F41.564 (5)C17—H190.957
P2—F51.560 (4)C18—H200.951
P2—F61.541 (4)C19—C201.393 (6)
O1—C111.145 (5)C19—C241.399 (5)
O2—C121.146 (5)C20—C211.395 (6)
C1—C21.417 (6)C20—H210.964
C1—C51.434 (6)C21—C221.380 (6)
C1—C61.505 (6)C21—H220.969
C2—C31.426 (6)C22—C231.375 (7)
C2—C71.506 (6)C22—H230.964
C3—C41.429 (6)C23—C241.393 (5)
C3—C81.502 (6)C23—H240.963
C4—C51.418 (6)C24—H250.962
C4—C91.478 (7)C25—C301.386 (5)
C5—C101.497 (6)C25—C261.401 (5)
C6—H10.967C26—C271.391 (5)
C6—H20.956C26—H260.955
C6—H30.948C27—C281.397 (7)
C7—H40.949C27—H270.960
C7—H50.939C28—C291.381 (7)
C7—H60.978C28—H280.953
C8—H70.954C29—C301.399 (5)
C8—H80.958C29—H290.958
C8—H90.958C30—H300.973
C9—H100.953
F1···C4i3.052 (7)F4···C1i3.518 (7)
F1···C5i3.073 (6)F5···C18iv3.240 (6)
F1···C9i3.355 (7)F5···C17iv3.353 (6)
F1···C10i3.404 (7)F5···C26iv3.500 (7)
F1···C3i3.497 (7)F6···C8i3.440 (9)
F1···C1i3.525 (7)F6···C3i3.589 (8)
F2···O1ii3.365 (5)F6···C10iii3.592 (8)
F2···C10iii3.529 (7)O1···C27v3.443 (6)
F2···C7ii3.534 (8)O1···C17iv3.465 (5)
F2···C27iv3.547 (7)O2···O2iii2.997 (7)
F3···C10iii3.401 (8)C6···C15vi3.589 (6)
F4···C2i3.167 (7)C8···C21v3.553 (7)
F4···C3i3.414 (8)C15···C24v3.529 (5)
F4···C7i3.416 (8)C16···C23v3.542 (6)
F4···C7ii3.484 (8)
C12—Fe1—C1197.38 (18)H1—C6—H3108.2
C12—Fe1—C188.01 (18)H2—C6—H3109.1
C11—Fe1—C1113.36 (17)C2—C7—H4110.3
C12—Fe1—C2119.91 (19)C2—C7—H5111.3
C11—Fe1—C285.89 (17)H4—C7—H5110.5
C1—Fe1—C239.17 (16)C2—C7—H6109.2
C12—Fe1—C3153.66 (18)H4—C7—H6107.3
C11—Fe1—C396.42 (18)H5—C7—H6108.1
C1—Fe1—C365.91 (16)C3—C8—H7110.3
C2—Fe1—C339.23 (17)C3—C8—H8110.4
C12—Fe1—C592.43 (17)H7—C8—H8108.5
C11—Fe1—C5150.80 (17)C3—C8—H9110.9
C1—Fe1—C539.38 (16)H7—C8—H9108.5
C2—Fe1—C565.48 (15)H8—C8—H9108.1
C3—Fe1—C565.39 (16)C4—C9—H10110.5
C12—Fe1—C4127.48 (17)C4—C9—H11109.9
C11—Fe1—C4134.14 (18)H10—C9—H11109.3
C1—Fe1—C465.36 (16)C4—C9—H12109.9
C2—Fe1—C465.19 (17)H10—C9—H12108.4
C3—Fe1—C438.96 (17)H11—C9—H12108.8
C5—Fe1—C438.50 (16)C5—C10—H13109.3
C11—Fe1—P190.84 (13)C5—C10—H14111.4
C12—Fe1—P192.64 (14)H13—C10—H14110.0
C1—Fe1—P1155.53 (12)C5—C10—H15109.3
C2—Fe1—P1147.44 (13)H13—C10—H15107.2
C3—Fe1—P1109.49 (12)H14—C10—H15109.4
C5—Fe1—P1116.19 (12)O1—C11—Fe1176.2 (4)
C4—Fe1—P195.54 (12)O2—C12—Fe1176.2 (4)
C13—P1—C19101.54 (17)C18—C13—C14118.9 (3)
C13—P1—C25106.32 (16)C18—C13—P1124.2 (3)
C19—P1—C25101.30 (16)C14—C13—P1117.0 (3)
C13—P1—Fe1115.10 (12)C15—C14—C13121.0 (4)
C19—P1—Fe1114.01 (12)C15—C14—H16120.3
C25—P1—Fe1116.64 (14)C13—C14—H16118.7
F3—P2—F692.5 (4)C14—C15—C16119.7 (4)
F3—P2—F195.5 (3)C14—C15—H17120.1
F6—P2—F192.1 (3)C16—C15—H17120.1
F3—P2—F587.9 (3)C17—C16—C15119.7 (4)
F6—P2—F5179.4 (4)C17—C16—H18119.9
F1—P2—F588.3 (3)C15—C16—H18120.5
F3—P2—F4175.4 (3)C16—C17—C18120.7 (4)
F6—P2—F486.3 (4)C16—C17—H19120.4
F1—P2—F489.0 (3)C18—C17—H19118.9
F5—P2—F493.3 (4)C17—C18—C13120.0 (4)
F3—P2—F285.7 (3)C17—C18—H20120.3
F6—P2—F288.2 (3)C13—C18—H20119.7
F1—P2—F2178.8 (3)C20—C19—C24118.3 (4)
F5—P2—F291.4 (3)C20—C19—P1121.0 (3)
F4—P2—F289.8 (3)C24—C19—P1120.5 (3)
C2—C1—C5108.0 (4)C19—C20—C21120.6 (4)
C2—C1—C6126.7 (4)C19—C20—H21120.0
C5—C1—C6124.9 (4)C21—C20—H21119.4
C2—C1—Fe170.7 (2)C22—C21—C20120.5 (4)
C5—C1—Fe171.7 (2)C22—C21—H22120.7
C6—C1—Fe1128.9 (3)C20—C21—H22118.8
C1—C2—C3108.4 (4)C23—C22—C21119.6 (4)
C1—C2—C7125.3 (4)C23—C22—H23120.9
C3—C2—C7126.0 (4)C21—C22—H23119.5
C1—C2—Fe170.1 (2)C22—C23—C24120.6 (4)
C3—C2—Fe170.9 (2)C22—C23—H24120.1
C7—C2—Fe1129.1 (3)C24—C23—H24119.4
C2—C3—C4107.5 (4)C23—C24—C19120.5 (4)
C2—C3—C8124.4 (4)C23—C24—H25119.5
C4—C3—C8127.1 (5)C19—C24—H25120.0
C2—C3—Fe169.9 (2)C30—C25—C26119.3 (3)
C4—C3—Fe171.4 (2)C30—C25—P1120.4 (3)
C8—C3—Fe1132.9 (3)C26—C25—P1120.3 (3)
C5—C4—C3108.5 (4)C27—C26—C25120.2 (4)
C5—C4—C9125.1 (4)C27—C26—H26119.1
C3—C4—C9125.7 (5)C25—C26—H26120.8
C5—C4—Fe170.5 (2)C26—C27—C28119.9 (4)
C3—C4—Fe169.6 (2)C26—C27—H27119.7
C9—C4—Fe1133.2 (3)C28—C27—H27120.4
C4—C5—C1107.6 (3)C29—C28—C27120.2 (4)
C4—C5—C10126.6 (4)C29—C28—H28119.7
C1—C5—C10125.0 (4)C27—C28—H28120.1
C4—C5—Fe171.0 (2)C28—C29—C30119.7 (4)
C1—C5—Fe168.9 (2)C28—C29—H29120.8
C10—C5—Fe1133.2 (3)C30—C29—H29119.5
C1—C6—H1110.1C25—C30—C29120.7 (4)
C1—C6—H2110.9C25—C30—H30119.0
H1—C6—H2107.5C29—C30—H30120.2
C1—C6—H3110.9
C12—Fe1—P1—C13175.46 (18)Fe1—C3—C4—C9129.2 (4)
C11—Fe1—P1—C1387.11 (18)C2—C3—C4—Fe161.0 (3)
C1—Fe1—P1—C1384.5 (3)C8—C3—C4—Fe1130.3 (4)
C2—Fe1—P1—C133.4 (3)C12—Fe1—C4—C528.6 (3)
C3—Fe1—P1—C1310.00 (18)C11—Fe1—C4—C5137.2 (3)
C5—Fe1—P1—C1381.45 (18)C1—Fe1—C4—C537.9 (2)
C4—Fe1—P1—C1347.41 (17)C2—Fe1—C4—C581.2 (3)
C12—Fe1—P1—C1967.76 (18)C3—Fe1—C4—C5119.4 (4)
C11—Fe1—P1—C1929.66 (18)P1—Fe1—C4—C5126.2 (2)
C1—Fe1—P1—C19158.8 (3)C12—Fe1—C4—C3148.0 (3)
C2—Fe1—P1—C19113.3 (3)C11—Fe1—C4—C317.8 (4)
C3—Fe1—P1—C19126.78 (18)C1—Fe1—C4—C381.5 (3)
C5—Fe1—P1—C19161.77 (17)C2—Fe1—C4—C338.2 (2)
C4—Fe1—P1—C19164.18 (18)C5—Fe1—C4—C3119.4 (4)
C12—Fe1—P1—C2549.85 (18)P1—Fe1—C4—C3114.4 (2)
C11—Fe1—P1—C25147.28 (18)C12—Fe1—C4—C991.7 (6)
C1—Fe1—P1—C2541.1 (3)C11—Fe1—C4—C9102.5 (5)
C2—Fe1—P1—C25129.1 (3)C1—Fe1—C4—C9158.1 (6)
C3—Fe1—P1—C25115.60 (18)C2—Fe1—C4—C9158.5 (6)
C5—Fe1—P1—C2544.16 (18)C3—Fe1—C4—C9120.3 (6)
C4—Fe1—P1—C2578.20 (17)C5—Fe1—C4—C9120.3 (6)
C12—Fe1—C1—C2146.4 (3)P1—Fe1—C4—C95.9 (5)
C11—Fe1—C1—C249.2 (3)C3—C4—C5—C10.0 (5)
C3—Fe1—C1—C237.4 (3)C9—C4—C5—C1170.9 (4)
C5—Fe1—C1—C2117.4 (4)Fe1—C4—C5—C159.4 (3)
C4—Fe1—C1—C280.3 (3)C3—C4—C5—C10170.3 (4)
P1—Fe1—C1—C2121.6 (3)C9—C4—C5—C100.6 (7)
C12—Fe1—C1—C596.3 (3)Fe1—C4—C5—C10130.3 (4)
C11—Fe1—C1—C5166.6 (2)C3—C4—C5—Fe159.4 (3)
C2—Fe1—C1—C5117.4 (4)C9—C4—C5—Fe1129.7 (4)
C3—Fe1—C1—C580.0 (3)C2—C1—C5—C41.1 (5)
C4—Fe1—C1—C537.0 (2)C6—C1—C5—C4174.1 (4)
P1—Fe1—C1—C54.3 (4)Fe1—C1—C5—C460.8 (3)
C12—Fe1—C1—C624.2 (4)C2—C1—C5—C10169.5 (4)
C11—Fe1—C1—C673.0 (5)C6—C1—C5—C103.6 (7)
C2—Fe1—C1—C6122.1 (5)Fe1—C1—C5—C10128.7 (4)
C3—Fe1—C1—C6159.5 (5)C2—C1—C5—Fe161.8 (3)
C5—Fe1—C1—C6120.5 (5)C6—C1—C5—Fe1125.2 (5)
C4—Fe1—C1—C6157.5 (5)C12—Fe1—C5—C4157.7 (3)
P1—Fe1—C1—C6116.2 (4)C11—Fe1—C5—C492.5 (4)
C5—C1—C2—C31.7 (5)C1—Fe1—C5—C4118.4 (3)
C6—C1—C2—C3174.5 (4)C2—Fe1—C5—C480.4 (3)
Fe1—C1—C2—C360.8 (3)C3—Fe1—C5—C437.0 (2)
C5—C1—C2—C7173.1 (4)P1—Fe1—C5—C463.5 (2)
C6—C1—C2—C70.3 (7)C12—Fe1—C5—C183.9 (3)
Fe1—C1—C2—C7124.4 (5)C11—Fe1—C5—C125.9 (5)
C5—C1—C2—Fe162.5 (3)C2—Fe1—C5—C138.1 (2)
C6—C1—C2—Fe1124.7 (5)C3—Fe1—C5—C181.4 (3)
C12—Fe1—C2—C139.7 (3)C4—Fe1—C5—C1118.4 (3)
C11—Fe1—C2—C1135.8 (3)P1—Fe1—C5—C1178.0 (2)
C3—Fe1—C2—C1118.8 (4)C12—Fe1—C5—C1034.9 (5)
C5—Fe1—C2—C138.3 (2)C11—Fe1—C5—C10144.7 (4)
C4—Fe1—C2—C180.8 (3)C1—Fe1—C5—C10118.8 (6)
P1—Fe1—C2—C1139.0 (2)C2—Fe1—C5—C10156.9 (5)
C12—Fe1—C2—C3158.5 (3)C3—Fe1—C5—C10159.8 (5)
C11—Fe1—C2—C3105.4 (3)C4—Fe1—C5—C10122.8 (6)
C1—Fe1—C2—C3118.8 (4)P1—Fe1—C5—C1059.2 (5)
C5—Fe1—C2—C380.5 (3)C19—P1—C13—C18117.2 (3)
C4—Fe1—C2—C338.0 (2)C25—P1—C13—C1811.6 (4)
P1—Fe1—C2—C320.3 (4)Fe1—P1—C13—C18119.2 (3)
C12—Fe1—C2—C780.2 (5)C19—P1—C13—C1462.8 (3)
C11—Fe1—C2—C716.0 (5)C25—P1—C13—C14168.4 (3)
C1—Fe1—C2—C7119.9 (6)Fe1—P1—C13—C1460.9 (3)
C3—Fe1—C2—C7121.4 (6)C18—C13—C14—C150.6 (6)
C5—Fe1—C2—C7158.1 (5)P1—C13—C14—C15179.4 (3)
C4—Fe1—C2—C7159.3 (5)C13—C14—C15—C160.2 (6)
P1—Fe1—C2—C7101.1 (5)C14—C15—C16—C171.1 (6)
C1—C2—C3—C41.7 (5)C15—C16—C17—C181.1 (6)
C7—C2—C3—C4173.1 (4)C16—C17—C18—C130.4 (6)
Fe1—C2—C3—C462.0 (3)C14—C13—C18—C170.5 (6)
C1—C2—C3—C8170.8 (4)P1—C13—C18—C17179.5 (3)
C7—C2—C3—C84.0 (7)C13—P1—C19—C2024.0 (4)
Fe1—C2—C3—C8128.9 (4)C25—P1—C19—C2085.5 (3)
C1—C2—C3—Fe160.3 (3)Fe1—P1—C19—C20148.3 (3)
C7—C2—C3—Fe1124.9 (4)C13—P1—C19—C24160.5 (3)
C12—Fe1—C3—C245.8 (5)C25—P1—C19—C2490.0 (3)
C11—Fe1—C3—C275.4 (3)Fe1—P1—C19—C2436.2 (3)
C1—Fe1—C3—C237.3 (2)C24—C19—C20—C210.8 (6)
C5—Fe1—C3—C280.7 (3)P1—C19—C20—C21176.4 (3)
C4—Fe1—C3—C2117.4 (3)C19—C20—C21—C221.0 (7)
P1—Fe1—C3—C2168.6 (2)C20—C21—C22—C230.0 (7)
C12—Fe1—C3—C471.5 (5)C21—C22—C23—C241.1 (7)
C11—Fe1—C3—C4167.2 (3)C22—C23—C24—C191.2 (6)
C1—Fe1—C3—C480.0 (3)C20—C19—C24—C230.3 (6)
C2—Fe1—C3—C4117.4 (3)P1—C19—C24—C23175.3 (3)
C5—Fe1—C3—C436.6 (2)C13—P1—C25—C30130.5 (3)
P1—Fe1—C3—C474.1 (2)C19—P1—C25—C30123.8 (3)
C12—Fe1—C3—C8164.6 (5)Fe1—P1—C25—C300.6 (3)
C11—Fe1—C3—C843.3 (5)C13—P1—C25—C2652.8 (3)
C1—Fe1—C3—C8156.1 (6)C19—P1—C25—C2652.9 (3)
C2—Fe1—C3—C8118.7 (6)Fe1—P1—C25—C26177.3 (3)
C5—Fe1—C3—C8160.5 (6)C30—C25—C26—C270.6 (6)
C4—Fe1—C3—C8123.9 (6)P1—C25—C26—C27176.2 (3)
P1—Fe1—C3—C849.8 (5)C25—C26—C27—C280.1 (6)
C2—C3—C4—C51.0 (5)C26—C27—C28—C290.6 (6)
C8—C3—C4—C5169.7 (4)C27—C28—C29—C301.4 (6)
Fe1—C3—C4—C560.0 (3)C26—C25—C30—C291.4 (6)
C2—C3—C4—C9169.8 (4)P1—C25—C30—C29175.4 (3)
C8—C3—C4—C91.1 (7)C28—C29—C30—C251.8 (6)
Symmetry codes: (i) x1/2, y+1/2, z+1; (ii) x+1/2, y1/2, z; (iii) x+1, y, z+1; (iv) x1/2, y, z+3/2; (v) x+1, y+1/2, z+3/2; (vi) x, y+1/2, z1/2.
 

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