Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
In the title compound, [Fe(C34H29O2P2)]2[Sb2Cl8], the discrete centrosymmetric [Sb2Cl8]2− anions are formed from two edge-shared square pyramids of Cl atoms about each Sb atom. Within the cation, the two di­phenyl­phosphinate groups share one H atom and the ferrocene cyclo­penta­dienyl rings are in a staggered conformation, with the average value of the twist angle being 46°. In the crystal, each [Sb2Cl8]2− anion is involved in eight C—H...Cl interactions with four surrounding cations and these interactions interconnect the ions to form molecular columns along the a direction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102002056/ln1132sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102002056/ln1132Isup2.hkl
Contains datablock I

CCDC reference: 184464

Computing details top

Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 1990).

Bis-[hydrogen-1,1'-bis(diphenylphosphinato)ferrocenium octachlorodiantimony(III) top
Crystal data top
[Fe(C17H14OP)(C17H15OP)]2[Sb2Cl8]Z = 1
Mr = 1701.82F(000) = 848
Triclinic, P1Dx = 1.634 Mg m3
a = 11.036 (1) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.348 (1) ÅCell parameters from 38 reflections
c = 14.002 (1) Åθ = 5.3–12.5°
α = 76.35 (1)°µ = 1.63 mm1
β = 77.19 (1)°T = 293 K
γ = 70.82 (1)°Block, orange
V = 1729.5 (2) Å30.38 × 0.36 × 0.32 mm
Data collection top
Siemens P4
diffractometer
Rint = 0.015
Radiation source: fine-focus sealed tubeθmax = 25.0°, θmin = 1.5°
Graphite monochromatorh = 113
θ/2θ scansk = 1314
7093 measured reflectionsl = 1616
6061 independent reflections3 standard reflections every 97 reflections
5393 reflections with I > 2σ(I) intensity decay: <3%
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)] = 0.027Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.076H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0408P)2 + 0.4246P]
where P = (Fo2 + 2Fc2)/3
6061 reflections(Δ/σ)max = 0.001
397 parametersΔρmax = 0.35 e Å3
0 restraintsΔρmin = 0.57 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
Sb10.346367 (17)0.494629 (16)0.431497 (12)0.04230 (7)
Fe10.44597 (3)0.04786 (3)0.74535 (2)0.03479 (9)
Cl10.47974 (9)0.46892 (10)0.27497 (6)0.0753 (3)
Cl20.55078 (9)0.33533 (7)0.52163 (7)0.0711 (2)
Cl30.19062 (9)0.66469 (8)0.34398 (7)0.0708 (2)
Cl40.24868 (8)0.34507 (7)0.42400 (6)0.05843 (19)
O10.12967 (19)0.16975 (16)0.92034 (14)0.0477 (4)
H1O0.10100.12250.86870.071*
O20.07619 (19)0.06682 (16)0.81671 (16)0.0516 (5)
P10.22681 (6)0.23927 (5)0.88716 (5)0.03564 (14)
P20.17185 (7)0.04337 (6)0.78236 (5)0.04031 (15)
C10.2340 (3)0.2969 (2)0.99160 (18)0.0421 (6)
C20.1186 (4)0.3394 (3)1.0520 (2)0.0693 (10)
H2A0.04030.33901.03780.083*
C30.1207 (5)0.3827 (4)1.1344 (3)0.0950 (14)
H3A0.04360.41081.17590.114*
C40.2357 (5)0.3843 (3)1.1549 (2)0.0780 (11)
H4A0.23640.41351.21010.094*
C50.3482 (4)0.3436 (3)1.0949 (2)0.0667 (9)
H5A0.42600.34501.10930.080*
C60.3489 (3)0.2995 (2)1.0123 (2)0.0518 (7)
H6A0.42670.27200.97120.062*
C70.1811 (2)0.3584 (2)0.78847 (18)0.0372 (5)
C80.2380 (3)0.4482 (2)0.7655 (2)0.0466 (6)
H8A0.29870.44740.80250.056*
C90.2042 (3)0.5389 (3)0.6876 (2)0.0526 (7)
H9A0.24350.59830.67140.063*
C100.1129 (3)0.5413 (2)0.6342 (2)0.0512 (7)
H10A0.08890.60340.58290.061*
C110.0568 (3)0.4523 (3)0.6561 (2)0.0524 (7)
H11A0.00340.45360.61840.063*
C120.0890 (3)0.3614 (2)0.7334 (2)0.0453 (6)
H12A0.04940.30220.74880.054*
C130.5716 (3)0.0013 (3)0.8463 (2)0.0497 (7)
H13A0.63320.07870.86080.060*
C140.4420 (3)0.0338 (2)0.89362 (18)0.0426 (6)
H14A0.39850.01370.94750.051*
C150.3854 (3)0.1530 (2)0.84899 (17)0.0373 (5)
C160.4835 (3)0.1875 (2)0.77422 (19)0.0427 (6)
H16A0.47350.26390.73090.051*
C170.5976 (3)0.0921 (3)0.7737 (2)0.0499 (7)
H17A0.68000.09050.72910.060*
C180.3213 (3)0.0899 (2)0.64475 (18)0.0431 (6)
H18A0.24830.16090.63620.052*
C190.4488 (3)0.0751 (3)0.59427 (19)0.0520 (7)
H19A0.48040.13460.54490.062*
C200.5247 (3)0.0393 (3)0.6277 (2)0.0521 (7)
H20A0.61760.07230.60520.063*
C210.4447 (3)0.0974 (2)0.6994 (2)0.0458 (6)
H21A0.47190.17780.73490.055*
C220.3162 (3)0.0174 (2)0.71166 (18)0.0389 (5)
C230.2097 (3)0.1571 (2)0.8866 (2)0.0440 (6)
C240.1907 (3)0.1302 (3)0.9800 (2)0.0581 (8)
H24A0.15590.05290.98860.070*
C250.2227 (4)0.2166 (3)1.0607 (2)0.0720 (10)
H25A0.20940.19801.12350.086*
C260.2745 (4)0.3307 (3)1.0475 (3)0.0775 (11)
H26A0.29800.38931.10140.093*
C270.2915 (5)0.3583 (3)0.9564 (3)0.0893 (14)
H27A0.32540.43590.94890.107*
C280.2596 (4)0.2736 (3)0.8748 (3)0.0686 (10)
H28A0.27110.29370.81270.082*
C290.0972 (3)0.0886 (2)0.7035 (2)0.0478 (6)
C300.1620 (4)0.1169 (3)0.6127 (2)0.0599 (8)
H30A0.24760.11540.59170.072*
C310.0984 (4)0.1480 (3)0.5521 (3)0.0730 (10)
H31A0.14120.16530.49000.088*
C320.0260 (4)0.1530 (3)0.5835 (3)0.0760 (11)
H32A0.06770.17400.54290.091*
C330.0891 (4)0.1274 (4)0.6742 (4)0.0918 (14)
H33A0.17350.13200.69560.110*
C340.0289 (4)0.0945 (4)0.7353 (3)0.0765 (11)
H34A0.07290.07650.79700.092*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sb10.04501 (11)0.05326 (12)0.03554 (11)0.02040 (8)0.01200 (8)0.00690 (8)
Fe10.0443 (2)0.03503 (18)0.02582 (17)0.00871 (15)0.00742 (14)0.00914 (13)
Cl10.0615 (5)0.1201 (8)0.0498 (4)0.0379 (5)0.0044 (4)0.0211 (5)
Cl20.0706 (5)0.0593 (5)0.0828 (6)0.0259 (4)0.0226 (5)0.0082 (4)
Cl30.0760 (6)0.0667 (5)0.0749 (6)0.0204 (4)0.0378 (5)0.0013 (4)
Cl40.0627 (5)0.0584 (4)0.0642 (5)0.0263 (4)0.0201 (4)0.0081 (3)
O10.0577 (12)0.0445 (10)0.0458 (10)0.0223 (9)0.0021 (9)0.0163 (8)
O20.0523 (11)0.0430 (10)0.0633 (13)0.0101 (9)0.0117 (10)0.0198 (9)
P10.0453 (4)0.0345 (3)0.0298 (3)0.0121 (3)0.0052 (3)0.0110 (2)
P20.0490 (4)0.0340 (3)0.0419 (4)0.0120 (3)0.0117 (3)0.0101 (3)
C10.0602 (17)0.0362 (13)0.0293 (12)0.0116 (12)0.0062 (11)0.0092 (10)
C20.073 (2)0.090 (2)0.0542 (19)0.0270 (19)0.0068 (17)0.0402 (18)
C30.118 (4)0.119 (4)0.057 (2)0.042 (3)0.020 (2)0.055 (2)
C40.135 (4)0.077 (2)0.0360 (17)0.041 (2)0.017 (2)0.0200 (16)
C50.101 (3)0.0555 (18)0.0565 (19)0.0235 (18)0.040 (2)0.0085 (15)
C60.0659 (19)0.0449 (15)0.0493 (16)0.0118 (14)0.0187 (14)0.0142 (12)
C70.0412 (13)0.0373 (12)0.0338 (12)0.0086 (11)0.0062 (10)0.0113 (10)
C80.0526 (16)0.0476 (15)0.0464 (15)0.0205 (13)0.0152 (12)0.0057 (12)
C90.0628 (18)0.0457 (15)0.0502 (17)0.0207 (14)0.0090 (14)0.0029 (12)
C100.0583 (17)0.0446 (15)0.0415 (15)0.0034 (13)0.0095 (13)0.0049 (12)
C110.0521 (16)0.0563 (17)0.0486 (16)0.0042 (14)0.0207 (13)0.0134 (13)
C120.0483 (15)0.0454 (14)0.0478 (15)0.0137 (12)0.0130 (12)0.0137 (12)
C130.0531 (16)0.0518 (16)0.0439 (15)0.0007 (13)0.0204 (13)0.0167 (12)
C140.0600 (17)0.0424 (14)0.0271 (12)0.0106 (12)0.0143 (11)0.0084 (10)
C150.0493 (14)0.0384 (13)0.0278 (11)0.0114 (11)0.0099 (10)0.0109 (10)
C160.0528 (15)0.0427 (14)0.0383 (13)0.0175 (12)0.0076 (12)0.0125 (11)
C170.0447 (15)0.0604 (17)0.0513 (16)0.0151 (13)0.0076 (12)0.0228 (13)
C180.0635 (17)0.0397 (13)0.0314 (12)0.0156 (12)0.0162 (12)0.0068 (10)
C190.079 (2)0.0595 (17)0.0259 (13)0.0287 (16)0.0092 (13)0.0108 (12)
C200.0594 (18)0.0634 (18)0.0400 (14)0.0170 (15)0.0008 (13)0.0293 (13)
C210.0587 (17)0.0384 (13)0.0436 (14)0.0082 (12)0.0142 (12)0.0162 (11)
C220.0514 (15)0.0351 (12)0.0342 (13)0.0108 (11)0.0133 (11)0.0102 (10)
C230.0541 (16)0.0389 (13)0.0422 (14)0.0185 (12)0.0078 (12)0.0059 (11)
C240.082 (2)0.0494 (16)0.0441 (16)0.0236 (16)0.0036 (15)0.0109 (13)
C250.104 (3)0.070 (2)0.0443 (18)0.034 (2)0.0106 (18)0.0033 (15)
C260.111 (3)0.063 (2)0.056 (2)0.030 (2)0.024 (2)0.0118 (16)
C270.145 (4)0.0410 (18)0.068 (2)0.010 (2)0.024 (3)0.0022 (16)
C280.108 (3)0.0423 (16)0.0526 (18)0.0132 (17)0.0184 (18)0.0096 (13)
C290.0580 (17)0.0355 (13)0.0559 (17)0.0117 (12)0.0218 (14)0.0103 (12)
C300.075 (2)0.0605 (18)0.0568 (18)0.0267 (16)0.0187 (16)0.0171 (15)
C310.110 (3)0.062 (2)0.063 (2)0.029 (2)0.034 (2)0.0173 (16)
C320.091 (3)0.0496 (18)0.107 (3)0.0094 (18)0.062 (2)0.0226 (19)
C330.064 (2)0.099 (3)0.134 (4)0.021 (2)0.035 (3)0.049 (3)
C340.060 (2)0.093 (3)0.092 (3)0.0202 (19)0.0146 (19)0.047 (2)
Geometric parameters (Å, º) top
Sb1—Cl12.379 (1)C10—H10A0.9300
Sb1—Cl42.456 (1)C11—C121.376 (4)
Sb1—Cl32.493 (1)C11—H11A0.9300
Sb1—Cl22.780 (1)C12—H12A0.9300
Sb1—Cl2i2.945 (1)C13—C141.406 (4)
Fe1—C152.031 (2)C13—C171.407 (4)
Fe1—C142.034 (2)C13—H13A0.9800
Fe1—C222.039 (3)C14—C151.443 (4)
Fe1—C162.044 (3)C14—H14A0.9800
Fe1—C182.048 (3)C15—C161.428 (4)
Fe1—C212.048 (3)C16—C171.414 (4)
Fe1—C132.049 (3)C16—H16A0.9800
Fe1—C202.053 (3)C17—H17A0.9800
Fe1—C192.057 (3)C18—C191.402 (4)
Fe1—C172.062 (3)C18—C221.441 (3)
Cl2—Sb1i2.9452 (10)C18—H18A0.9800
O1—P11.5158 (19)C19—C201.414 (4)
O1—H1O1.1771 (18)C19—H19A0.9800
O2—P21.529 (2)C20—C211.409 (4)
O2—H1O1.2352 (19)C20—H20A0.9800
P1—C151.764 (3)C21—C221.438 (4)
P1—C71.786 (3)C21—H21A0.9800
P1—C11.797 (3)C23—C241.379 (4)
P2—C221.763 (3)C23—C281.397 (4)
P2—C231.787 (3)C24—C251.379 (5)
P2—C291.791 (3)C24—H24A0.9300
C1—C61.374 (4)C25—C261.376 (5)
C1—C21.381 (4)C25—H25A0.9300
C2—C31.389 (5)C26—C271.354 (5)
C2—H2A0.9300C26—H26A0.9300
C3—C41.368 (6)C27—C281.377 (5)
C3—H3A0.9300C27—H27A0.9300
C4—C51.351 (6)C28—H28A0.9300
C4—H4A0.9300C29—C301.377 (4)
C5—C61.387 (4)C29—C341.383 (5)
C5—H5A0.9300C30—C311.398 (4)
C6—H6A0.9300C30—H30A0.9300
C7—C81.388 (4)C31—C321.362 (6)
C7—C121.393 (4)C31—H31A0.9300
C8—C91.383 (4)C32—C331.360 (6)
C8—H8A0.9300C32—H32A0.9300
C9—C101.370 (4)C33—C341.391 (5)
C9—H9A0.9300C33—H33A0.9300
C10—C111.375 (4)C34—H34A0.9300
Cl1—Sb1—Cl490.96 (3)C10—C11—H11A119.8
Cl1—Sb1—Cl388.79 (4)C12—C11—H11A119.8
Cl4—Sb1—Cl397.34 (3)C11—C12—C7119.7 (3)
Cl1—Sb1—Cl288.00 (3)C11—C12—H12A120.1
Cl4—Sb1—Cl293.86 (3)C7—C12—H12A120.1
Cl3—Sb1—Cl2168.40 (3)C14—C13—C17109.0 (3)
Cl1—Sb1—Cl2i98.29 (3)C14—C13—Fe169.27 (15)
Cl4—Sb1—Cl2i169.96 (3)C17—C13—Fe170.49 (16)
Cl3—Sb1—Cl2i86.79 (3)C14—C13—H13A125.5
Cl2—Sb1—Cl2i82.64 (3)C17—C13—H13A125.5
C15—Fe1—C1441.57 (10)Fe1—C13—H13A125.5
C15—Fe1—C22119.16 (10)C13—C14—C15107.5 (2)
C14—Fe1—C22114.42 (11)C13—C14—Fe170.43 (15)
C15—Fe1—C1641.02 (10)C15—C14—Fe169.12 (13)
C14—Fe1—C1669.02 (11)C13—C14—H14A126.2
C22—Fe1—C16147.95 (11)C15—C14—H14A126.2
C15—Fe1—C18113.20 (11)Fe1—C14—H14A126.2
C14—Fe1—C18140.03 (11)C16—C15—C14107.2 (2)
C22—Fe1—C1841.29 (10)C16—C15—P1127.71 (19)
C16—Fe1—C18114.39 (11)C14—C15—P1125.0 (2)
C15—Fe1—C21149.49 (11)C16—C15—Fe169.98 (14)
C14—Fe1—C21116.36 (11)C14—C15—Fe169.31 (13)
C22—Fe1—C2141.19 (11)P1—C15—Fe1128.57 (14)
C16—Fe1—C21168.46 (12)C17—C16—C15107.9 (2)
C18—Fe1—C2168.76 (11)C17—C16—Fe170.54 (16)
C15—Fe1—C1368.54 (11)C15—C16—Fe169.00 (14)
C14—Fe1—C1340.29 (11)C17—C16—H16A126.0
C22—Fe1—C13136.65 (12)C15—C16—H16A126.0
C16—Fe1—C1367.96 (12)Fe1—C16—H16A126.0
C18—Fe1—C13177.65 (11)C13—C17—C16108.4 (3)
C21—Fe1—C13108.93 (11)C13—C17—Fe169.48 (17)
C15—Fe1—C20170.31 (12)C16—C17—Fe169.18 (16)
C14—Fe1—C20143.35 (12)C13—C17—H17A125.8
C22—Fe1—C2068.39 (11)C16—C17—H17A125.8
C16—Fe1—C20129.36 (12)Fe1—C17—H17A125.8
C18—Fe1—C2067.80 (12)C19—C18—C22108.1 (2)
C21—Fe1—C2040.20 (11)C19—C18—Fe170.39 (16)
C13—Fe1—C20110.78 (12)C22—C18—Fe169.05 (14)
C15—Fe1—C19134.40 (11)C19—C18—H18A126.0
C14—Fe1—C19175.68 (11)C22—C18—H18A126.0
C22—Fe1—C1968.33 (11)Fe1—C18—H18A126.0
C16—Fe1—C19106.84 (11)C18—C19—C20108.6 (3)
C18—Fe1—C1939.94 (12)C18—C19—Fe169.68 (15)
C21—Fe1—C1967.94 (11)C20—C19—Fe169.73 (15)
C13—Fe1—C19140.02 (13)C18—C19—H19A125.7
C20—Fe1—C1940.25 (12)C20—C19—H19A125.7
C15—Fe1—C1768.30 (11)Fe1—C19—H19A125.7
C14—Fe1—C1767.98 (12)C21—C20—C19108.7 (3)
C22—Fe1—C17171.57 (11)C21—C20—Fe169.70 (15)
C16—Fe1—C1740.27 (11)C19—C20—Fe170.02 (15)
C18—Fe1—C17141.77 (12)C21—C20—H20A125.7
C21—Fe1—C17130.39 (12)C19—C20—H20A125.7
C13—Fe1—C1740.02 (12)Fe1—C20—H20A125.7
C20—Fe1—C17104.67 (12)C20—C21—C22107.8 (2)
C19—Fe1—C17109.80 (12)C20—C21—Fe170.10 (15)
Sb1—Cl2—Sb1i97.36 (3)C22—C21—Fe169.08 (14)
P1—O1—H1O124.94 (14)C20—C21—H21A126.1
P2—O2—H1O123.83 (15)C22—C21—H21A126.1
O1—P1—C15112.64 (11)Fe1—C21—H21A126.1
O1—P1—C7112.18 (12)C21—C22—C18106.9 (2)
C15—P1—C7108.56 (12)C21—C22—P2128.9 (2)
O1—P1—C1108.11 (12)C18—C22—P2123.9 (2)
C15—P1—C1106.84 (12)C21—C22—Fe169.72 (15)
C7—P1—C1108.27 (11)C18—C22—Fe169.67 (15)
O2—P2—C22111.80 (12)P2—C22—Fe1130.71 (13)
O2—P2—C23110.66 (13)C24—C23—C28119.2 (3)
C22—P2—C23109.62 (13)C24—C23—P2119.9 (2)
O2—P2—C29107.93 (12)C28—C23—P2120.8 (2)
C22—P2—C29107.35 (13)C25—C24—C23120.7 (3)
C23—P2—C29109.38 (13)C25—C24—H24A119.7
C6—C1—C2120.0 (3)C23—C24—H24A119.7
C6—C1—P1122.4 (2)C26—C25—C24119.5 (3)
C2—C1—P1117.6 (2)C26—C25—H25A120.3
C1—C2—C3119.2 (4)C24—C25—H25A120.3
C1—C2—H2A120.4C27—C26—C25120.3 (3)
C3—C2—H2A120.4C27—C26—H26A119.8
C4—C3—C2120.4 (4)C25—C26—H26A119.8
C4—C3—H3A119.8C26—C27—C28121.3 (3)
C2—C3—H3A119.8C26—C27—H27A119.4
C5—C4—C3120.1 (3)C28—C27—H27A119.4
C5—C4—H4A119.9C27—C28—C23119.0 (3)
C3—C4—H4A119.9C27—C28—H28A120.5
C4—C5—C6120.7 (4)C23—C28—H28A120.5
C4—C5—H5A119.7C30—C29—C34119.8 (3)
C6—C5—H5A119.7C30—C29—P2121.5 (2)
C1—C6—C5119.6 (3)C34—C29—P2118.7 (2)
C1—C6—H6A120.2C29—C30—C31119.6 (3)
C5—C6—H6A120.2C29—C30—H30A120.2
C8—C7—C12119.4 (2)C31—C30—H30A120.2
C8—C7—P1120.3 (2)C32—C31—C30120.4 (4)
C12—C7—P1120.3 (2)C32—C31—H31A119.8
C9—C8—C7120.0 (3)C30—C31—H31A119.8
C9—C8—H8A120.0C33—C32—C31120.0 (3)
C7—C8—H8A120.0C33—C32—H32A120.0
C10—C9—C8120.1 (3)C31—C32—H32A120.0
C10—C9—H9A120.0C32—C33—C34120.8 (4)
C8—C9—H9A120.0C32—C33—H33A119.6
C9—C10—C11120.3 (3)C34—C33—H33A119.6
C9—C10—H10A119.9C29—C34—C33119.4 (4)
C11—C10—H10A119.9C29—C34—H34A120.3
C10—C11—C12120.5 (3)C33—C34—H34A120.3
Cl1—Sb1—Cl2—Sb1i98.62 (3)C19—Fe1—C17—C1692.94 (18)
Cl4—Sb1—Cl2—Sb1i170.55 (3)C15—Fe1—C18—C19132.37 (17)
Cl3—Sb1—Cl2—Sb1i24.58 (17)C14—Fe1—C18—C19173.27 (17)
O1—P1—C1—C6139.4 (2)C22—Fe1—C18—C19119.3 (2)
C15—P1—C1—C617.9 (3)C16—Fe1—C18—C1987.36 (18)
C7—P1—C1—C698.9 (2)C21—Fe1—C18—C1980.60 (18)
O1—P1—C1—C240.6 (3)C20—Fe1—C18—C1937.19 (17)
C15—P1—C1—C2162.1 (2)C17—Fe1—C18—C1948.4 (3)
C7—P1—C1—C281.2 (3)C15—Fe1—C18—C22108.38 (16)
C6—C1—C2—C31.1 (5)C14—Fe1—C18—C2267.5 (2)
P1—C1—C2—C3178.9 (3)C16—Fe1—C18—C22153.39 (15)
C1—C2—C3—C40.6 (7)C21—Fe1—C18—C2238.66 (15)
C2—C3—C4—C50.0 (7)C20—Fe1—C18—C2282.07 (17)
C3—C4—C5—C60.1 (6)C19—Fe1—C18—C22119.3 (2)
C2—C1—C6—C50.9 (4)C17—Fe1—C18—C22167.70 (17)
P1—C1—C6—C5179.0 (2)C22—C18—C19—C200.1 (3)
C4—C5—C6—C10.3 (5)Fe1—C18—C19—C2059.03 (19)
O1—P1—C7—C8163.5 (2)C22—C18—C19—Fe158.98 (17)
C15—P1—C7—C871.4 (2)C15—Fe1—C19—C1871.9 (2)
C1—P1—C7—C844.3 (2)C22—Fe1—C19—C1838.27 (15)
O1—P1—C7—C1217.0 (2)C16—Fe1—C19—C18108.10 (17)
C15—P1—C7—C12108.1 (2)C21—Fe1—C19—C1882.82 (17)
C1—P1—C7—C12136.2 (2)C13—Fe1—C19—C18176.34 (17)
C12—C7—C8—C90.9 (4)C20—Fe1—C19—C18120.0 (2)
P1—C7—C8—C9178.6 (2)C17—Fe1—C19—C18150.51 (16)
C7—C8—C9—C101.2 (4)C15—Fe1—C19—C20168.12 (18)
C8—C9—C10—C111.6 (4)C22—Fe1—C19—C2081.72 (19)
C9—C10—C11—C121.7 (4)C16—Fe1—C19—C20131.91 (18)
C10—C11—C12—C71.3 (4)C18—Fe1—C19—C20120.0 (2)
C8—C7—C12—C110.9 (4)C21—Fe1—C19—C2037.17 (18)
P1—C7—C12—C11178.5 (2)C13—Fe1—C19—C2056.4 (3)
C15—Fe1—C13—C1438.80 (16)C17—Fe1—C19—C2089.50 (19)
C22—Fe1—C13—C1471.5 (2)C18—C19—C20—C210.2 (3)
C16—Fe1—C13—C1483.12 (17)Fe1—C19—C20—C2159.18 (19)
C21—Fe1—C13—C14108.75 (17)C18—C19—C20—Fe158.99 (18)
C20—Fe1—C13—C14151.56 (16)C14—Fe1—C20—C2164.0 (3)
C19—Fe1—C13—C14173.32 (17)C22—Fe1—C20—C2138.26 (16)
C17—Fe1—C13—C14120.2 (2)C16—Fe1—C20—C21173.07 (16)
C15—Fe1—C13—C1781.40 (17)C18—Fe1—C20—C2182.92 (18)
C14—Fe1—C13—C17120.2 (2)C13—Fe1—C20—C2195.07 (19)
C22—Fe1—C13—C17168.34 (16)C19—Fe1—C20—C21119.8 (3)
C16—Fe1—C13—C1737.08 (16)C17—Fe1—C20—C21136.71 (18)
C21—Fe1—C13—C17131.05 (17)C14—Fe1—C20—C19176.2 (2)
C20—Fe1—C13—C1788.24 (18)C22—Fe1—C20—C1981.57 (19)
C19—Fe1—C13—C1753.1 (2)C16—Fe1—C20—C1967.1 (2)
C17—C13—C14—C150.1 (3)C18—Fe1—C20—C1936.91 (18)
Fe1—C13—C14—C1559.42 (17)C21—Fe1—C20—C19119.8 (3)
C17—C13—C14—Fe159.49 (19)C13—Fe1—C20—C19145.10 (18)
C15—Fe1—C14—C13118.5 (2)C17—Fe1—C20—C19103.46 (19)
C22—Fe1—C14—C13134.37 (17)C19—C20—C21—C220.4 (3)
C16—Fe1—C14—C1380.26 (18)Fe1—C20—C21—C2259.02 (17)
C18—Fe1—C14—C13176.39 (17)C19—C20—C21—Fe159.38 (19)
C21—Fe1—C14—C1388.59 (19)C15—Fe1—C21—C20179.7 (2)
C20—Fe1—C14—C1348.2 (3)C14—Fe1—C21—C20143.21 (18)
C17—Fe1—C14—C1336.84 (17)C22—Fe1—C21—C20119.1 (2)
C22—Fe1—C14—C15107.13 (16)C16—Fe1—C21—C2027.8 (6)
C16—Fe1—C14—C1538.24 (16)C18—Fe1—C21—C2080.32 (18)
C18—Fe1—C14—C1565.1 (2)C13—Fe1—C21—C20100.10 (19)
C21—Fe1—C14—C15152.91 (16)C19—Fe1—C21—C2037.22 (18)
C13—Fe1—C14—C15118.5 (2)C17—Fe1—C21—C2060.6 (2)
C20—Fe1—C14—C15166.73 (19)C15—Fe1—C21—C2261.2 (3)
C17—Fe1—C14—C1581.66 (17)C14—Fe1—C21—C2297.72 (17)
C13—C14—C15—C160.3 (3)C16—Fe1—C21—C22146.8 (5)
Fe1—C14—C15—C1660.01 (17)C18—Fe1—C21—C2238.74 (15)
C13—C14—C15—P1176.43 (19)C13—Fe1—C21—C22140.84 (16)
Fe1—C14—C15—P1123.31 (19)C20—Fe1—C21—C22119.1 (2)
C13—C14—C15—Fe160.26 (18)C19—Fe1—C21—C2281.85 (17)
O1—P1—C15—C16147.9 (2)C17—Fe1—C21—C22179.62 (15)
C7—P1—C15—C1623.1 (3)C20—C21—C22—C180.4 (3)
C1—P1—C15—C1693.5 (2)Fe1—C21—C22—C1860.04 (17)
O1—P1—C15—C1436.1 (2)C20—C21—C22—P2173.8 (2)
C7—P1—C15—C14161.0 (2)Fe1—C21—C22—P2126.5 (2)
C1—P1—C15—C1482.5 (2)C20—C21—C22—Fe159.66 (18)
O1—P1—C15—Fe154.30 (19)C19—C18—C22—C210.3 (3)
C7—P1—C15—Fe170.57 (19)Fe1—C18—C22—C2160.08 (17)
C1—P1—C15—Fe1172.87 (15)C19—C18—C22—P2174.10 (18)
C14—Fe1—C15—C16118.3 (2)Fe1—C18—C22—P2126.09 (19)
C22—Fe1—C15—C16146.87 (16)C19—C18—C22—Fe159.81 (18)
C18—Fe1—C15—C16101.06 (17)O2—P2—C22—C21152.6 (2)
C21—Fe1—C15—C16171.8 (2)C23—P2—C22—C2129.5 (3)
C13—Fe1—C15—C1680.65 (17)C29—P2—C22—C2189.3 (2)
C19—Fe1—C15—C1659.5 (2)O2—P2—C22—C1835.0 (2)
C17—Fe1—C15—C1637.46 (17)C23—P2—C22—C18158.1 (2)
C22—Fe1—C15—C1494.84 (17)C29—P2—C22—C1883.2 (2)
C16—Fe1—C15—C14118.3 (2)O2—P2—C22—Fe156.4 (2)
C18—Fe1—C15—C14140.65 (16)C23—P2—C22—Fe166.6 (2)
C21—Fe1—C15—C1453.5 (3)C29—P2—C22—Fe1174.64 (16)
C13—Fe1—C15—C1437.64 (17)C15—Fe1—C22—C21149.37 (15)
C19—Fe1—C15—C14177.75 (18)C14—Fe1—C22—C21102.81 (17)
C17—Fe1—C15—C1480.82 (18)C16—Fe1—C22—C21168.10 (19)
C14—Fe1—C15—P1118.9 (2)C18—Fe1—C22—C21117.9 (2)
C22—Fe1—C15—P124.0 (2)C13—Fe1—C22—C2160.5 (2)
C16—Fe1—C15—P1122.8 (2)C20—Fe1—C22—C2137.36 (16)
C18—Fe1—C15—P121.8 (2)C19—Fe1—C22—C2180.81 (17)
C21—Fe1—C15—P165.4 (3)C15—Fe1—C22—C1892.77 (17)
C13—Fe1—C15—P1156.5 (2)C14—Fe1—C22—C18139.33 (15)
C19—Fe1—C15—P163.4 (2)C16—Fe1—C22—C1850.2 (3)
C17—Fe1—C15—P1160.3 (2)C21—Fe1—C22—C18117.9 (2)
C14—C15—C16—C170.5 (3)C13—Fe1—C22—C18178.34 (16)
P1—C15—C16—C17176.10 (19)C20—Fe1—C22—C1880.51 (17)
Fe1—C15—C16—C1760.05 (18)C19—Fe1—C22—C1837.06 (16)
C14—C15—C16—Fe159.58 (16)C15—Fe1—C22—P225.0 (2)
P1—C15—C16—Fe1123.9 (2)C14—Fe1—C22—P221.6 (2)
C15—Fe1—C16—C17119.0 (2)C16—Fe1—C22—P267.5 (3)
C14—Fe1—C16—C1780.30 (18)C18—Fe1—C22—P2117.7 (2)
C22—Fe1—C16—C17176.88 (19)C21—Fe1—C22—P2124.4 (3)
C18—Fe1—C16—C17143.04 (18)C13—Fe1—C22—P263.9 (2)
C21—Fe1—C16—C1739.6 (6)C20—Fe1—C22—P2161.7 (2)
C13—Fe1—C16—C1736.86 (17)C19—Fe1—C22—P2154.8 (2)
C20—Fe1—C16—C1762.5 (2)O2—P2—C23—C2421.1 (3)
C19—Fe1—C16—C17100.97 (19)C22—P2—C23—C24102.6 (3)
C14—Fe1—C16—C1538.74 (15)C29—P2—C23—C24139.9 (3)
C22—Fe1—C16—C1564.1 (2)O2—P2—C23—C28159.4 (3)
C18—Fe1—C16—C1597.92 (16)C22—P2—C23—C2876.8 (3)
C21—Fe1—C16—C15158.7 (5)C29—P2—C23—C2840.6 (3)
C13—Fe1—C16—C1582.18 (17)C28—C23—C24—C251.3 (5)
C20—Fe1—C16—C15178.44 (16)P2—C23—C24—C25178.2 (3)
C19—Fe1—C16—C15139.98 (16)C23—C24—C25—C260.2 (6)
C17—Fe1—C16—C15119.0 (2)C24—C25—C26—C271.3 (7)
C14—C13—C17—C160.4 (3)C25—C26—C27—C281.0 (8)
Fe1—C13—C17—C1658.38 (19)C26—C27—C28—C230.5 (7)
C14—C13—C17—Fe158.74 (19)C24—C23—C28—C271.6 (6)
C15—C16—C17—C130.5 (3)P2—C23—C28—C27177.9 (3)
Fe1—C16—C17—C1358.57 (19)O2—P2—C29—C30131.8 (2)
C15—C16—C17—Fe159.08 (17)C22—P2—C29—C3011.1 (3)
C15—Fe1—C17—C1382.03 (17)C23—P2—C29—C30107.8 (3)
C14—Fe1—C17—C1337.08 (16)O2—P2—C29—C3447.9 (3)
C16—Fe1—C17—C13120.2 (2)C22—P2—C29—C34168.6 (3)
C18—Fe1—C17—C13177.59 (17)C23—P2—C29—C3472.5 (3)
C21—Fe1—C17—C1369.5 (2)C34—C29—C30—C311.9 (5)
C20—Fe1—C17—C13104.99 (18)P2—C29—C30—C31177.8 (2)
C19—Fe1—C17—C13146.89 (17)C29—C30—C31—C321.5 (5)
C15—Fe1—C17—C1638.14 (16)C30—C31—C32—C330.2 (6)
C14—Fe1—C17—C1683.09 (17)C31—C32—C33—C340.9 (7)
C18—Fe1—C17—C1662.2 (2)C30—C29—C34—C330.9 (6)
C21—Fe1—C17—C16170.36 (16)P2—C29—C34—C33178.8 (3)
C13—Fe1—C17—C16120.2 (2)C32—C33—C34—C290.5 (7)
C20—Fe1—C17—C16134.84 (17)
Symmetry code: (i) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1O···O21.1771 (18)1.2352 (19)2.411 (3)176.19 (13)
C19—H19A···Cl20.982.763.599 (4)144
C16—H16A···Cl20.982.873.615 (3)133
C8—H8A···Cl1i0.932.863.481 (4)125
C11—H11A···Cl3ii0.932.803.484 (4)132
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y+1, z+1.
 

Subscribe to Acta Crystallographica Section C: Structural Chemistry

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

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