Dicarbon­yl(η⁵-penta­methyl­cyclo­penta­dien­yl)(triphenyl­phosphine)iron(II) hexa­fluoro­phosphate

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

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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Computing details

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)

Crystal data

[Fe(C10H15)(C18H15P)(CO)2]·PF6	F(000) = 2688.00
Mr = 654.35	Dx = 1.484 Mg m^−3
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -p_2ac_2ab	Cell parameters from 11285 reflections
a = 17.534 (1) Å	θ = 3.0–27.5°
b = 15.616 (1) Å	µ = 0.69 mm^−1
c = 21.394 (2) Å	T = 153 K
V = 5858.0 (6) Å^3	Block, yellow
Z = 8	0.30 × 0.13 × 0.08 mm

Data collection

Rigaku/MSC Mercury CCD diffractometer	4973 reflections with I > 2σ(I)
Detector resolution: 14.62 pixels mm^-1	Rint = 0.065
ω scans	θmax = 27.5°
Absorption correction: multi-scan (Jacobson, 1998)	h = −17→22
Tmin = 0.781, Tmax = 0.946	k = −20→16
45741 measured reflections	l = −27→27
6674 independent reflections

Refinement

Refinement on F^2	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.063	w = 1/[σ^2(Fo^2) + (0.0831P)^2 + 2.6059P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.176	(Δ/σ)max = 0.001
S = 1.11	Δρmax = 0.90 e Å^−3
6674 reflections	Δρmin = −0.53 e Å^−3
370 parameters

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Fe1	0.50951 (3)	0.21215 (3)	0.59485 (2)	0.02024 (15)
P1	0.53197 (5)	0.16500 (6)	0.69260 (4)	0.0188 (2)
P2	0.21169 (7)	0.06732 (8)	0.55370 (6)	0.0378 (3)
F1	0.2136 (3)	0.1604 (3)	0.5275 (2)	0.1150 (17)
F2	0.2079 (3)	−0.0265 (3)	0.5806 (2)	0.127 (2)
F3	0.2982 (2)	0.0554 (4)	0.5543 (3)	0.146 (2)
F4	0.1226 (3)	0.0716 (3)	0.5539 (4)	0.159 (3)
F5	0.2184 (4)	0.1058 (3)	0.62079 (19)	0.132 (2)
F6	0.2043 (4)	0.0287 (4)	0.4877 (2)	0.160 (3)
O1	0.36253 (16)	0.28513 (19)	0.63058 (15)	0.0379 (7)
O2	0.45746 (18)	0.0452 (2)	0.55102 (16)	0.0459 (9)
C1	0.5370 (2)	0.2390 (3)	0.50091 (19)	0.0311 (9)
C2	0.5138 (3)	0.3156 (3)	0.53093 (19)	0.0330 (9)
C3	0.5649 (3)	0.3321 (2)	0.5813 (2)	0.0342 (10)
C4	0.6213 (2)	0.2660 (3)	0.5810 (2)	0.0317 (9)
C5	0.6045 (2)	0.2085 (2)	0.5316 (2)	0.0287 (9)
C6	0.5036 (3)	0.2011 (4)	0.4422 (2)	0.0539 (14)
H1	0.4502	0.1885	0.4484	0.054*
H2	0.5074	0.2405	0.4082	0.054*
H3	0.5289	0.1495	0.4313	0.054*
C7	0.4505 (3)	0.3734 (4)	0.5092 (3)	0.0592 (16)
H4	0.4445	0.4200	0.5373	0.059*
H5	0.4593	0.3934	0.4685	0.059*
H6	0.4025	0.3415	0.5091	0.059*
C8	0.5663 (4)	0.4136 (3)	0.6186 (2)	0.0601 (17)
H7	0.6047	0.4109	0.6501	0.060*
H8	0.5771	0.4614	0.5919	0.060*
H9	0.5181	0.4235	0.6383	0.060*
C9	0.6920 (3)	0.2652 (4)	0.6186 (3)	0.0591 (16)
H10	0.6979	0.2115	0.6392	0.059*
H11	0.7348	0.2751	0.5925	0.059*
H12	0.6900	0.3093	0.6498	0.059*
C10	0.6544 (3)	0.1378 (3)	0.5081 (2)	0.0470 (12)
H13	0.6648	0.0986	0.5416	0.047*
H14	0.6318	0.1088	0.4748	0.047*
H15	0.7028	0.1613	0.4948	0.047*
C11	0.4200 (2)	0.2548 (2)	0.61829 (19)	0.0266 (8)
C12	0.4761 (2)	0.1106 (3)	0.5698 (2)	0.0289 (8)
C13	0.57698 (19)	0.2427 (2)	0.74462 (17)	0.0197 (7)
C14	0.5369 (2)	0.3186 (2)	0.75617 (18)	0.0250 (8)
H16	0.4878	0.3265	0.7368	0.025*
C15	0.5669 (2)	0.3813 (2)	0.79446 (19)	0.0295 (9)
H17	0.5386	0.4335	0.8020	0.029*
C16	0.6386 (2)	0.3692 (3)	0.8222 (2)	0.0318 (9)
H18	0.6597	0.4120	0.8492	0.032*
C17	0.6780 (2)	0.2942 (3)	0.8118 (2)	0.0309 (9)
H19	0.7266	0.2849	0.8309	0.031*
C18	0.6480 (2)	0.2308 (2)	0.7731 (2)	0.0269 (8)
H20	0.6754	0.1792	0.7661	0.027*
C19	0.4453 (2)	0.1376 (2)	0.73659 (18)	0.0228 (8)
C20	0.4420 (2)	0.1480 (3)	0.8012 (2)	0.0335 (9)
H21	0.4839	0.1744	0.8231	0.034*
C21	0.3775 (3)	0.1226 (3)	0.8346 (2)	0.0405 (11)
H22	0.3769	0.1300	0.8795	0.041*
C22	0.3164 (2)	0.0855 (3)	0.8041 (2)	0.0361 (10)
H23	0.2720	0.0687	0.8278	0.036*
C23	0.3193 (2)	0.0737 (3)	0.7405 (2)	0.0337 (10)
H24	0.2774	0.0467	0.7191	0.034*
C24	0.3828 (2)	0.1001 (2)	0.70642 (19)	0.0252 (8)
H25	0.3840	0.0913	0.6619	0.025*
C25	0.5874 (2)	0.0655 (2)	0.70000 (19)	0.0242 (8)
C26	0.6011 (2)	0.0299 (2)	0.7590 (2)	0.0304 (9)
H26	0.5844	0.0583	0.7961	0.030*
C27	0.6391 (2)	−0.0480 (3)	0.7643 (2)	0.0368 (11)
H27	0.6481	−0.0721	0.8049	0.037*
C28	0.6637 (2)	−0.0907 (3)	0.7105 (3)	0.0415 (12)
H28	0.6909	−0.1433	0.7140	0.042*
C29	0.6500 (2)	−0.0561 (3)	0.6522 (2)	0.0375 (11)
H29	0.6658	−0.0854	0.6150	0.038*
C30	0.6126 (2)	0.0227 (2)	0.6471 (2)	0.0297 (9)
H30	0.6039	0.0482	0.6063	0.030*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.0193 (3)	0.0178 (3)	0.0236 (3)	0.00149 (19)	−0.0002 (2)	−0.0031 (2)
P1	0.0148 (4)	0.0158 (4)	0.0259 (5)	−0.0004 (3)	−0.0009 (3)	−0.0001 (4)
P2	0.0375 (7)	0.0424 (7)	0.0336 (6)	0.0100 (5)	−0.0095 (5)	0.0023 (5)
F1	0.152 (5)	0.076 (3)	0.117 (4)	−0.015 (3)	−0.037 (3)	0.051 (3)
F2	0.180 (5)	0.059 (3)	0.143 (4)	−0.004 (3)	−0.053 (4)	0.032 (3)
F3	0.042 (2)	0.173 (5)	0.224 (7)	0.029 (3)	−0.011 (3)	−0.060 (5)
F4	0.046 (3)	0.126 (4)	0.304 (9)	0.005 (3)	−0.004 (4)	0.002 (5)
F5	0.231 (6)	0.112 (4)	0.055 (2)	0.060 (4)	−0.027 (3)	−0.034 (2)
F6	0.226 (7)	0.189 (6)	0.064 (3)	0.034 (5)	−0.054 (4)	−0.052 (3)
O1	0.0276 (16)	0.0362 (16)	0.050 (2)	0.0123 (13)	0.0061 (14)	−0.0007 (14)
O2	0.0364 (18)	0.0389 (18)	0.063 (2)	−0.0075 (14)	0.0044 (16)	−0.0269 (16)
C1	0.034 (2)	0.035 (2)	0.025 (2)	0.0023 (17)	0.0046 (17)	−0.0021 (17)
C2	0.041 (2)	0.030 (2)	0.028 (2)	0.0082 (17)	0.0084 (18)	0.0089 (17)
C3	0.052 (3)	0.0186 (18)	0.032 (2)	−0.0092 (17)	0.0112 (19)	0.0002 (16)
C4	0.027 (2)	0.038 (2)	0.030 (2)	−0.0095 (17)	0.0018 (17)	0.0070 (17)
C5	0.028 (2)	0.027 (2)	0.031 (2)	0.0024 (15)	0.0098 (17)	0.0015 (16)
C6	0.058 (3)	0.078 (4)	0.025 (2)	−0.003 (3)	−0.004 (2)	−0.009 (2)
C7	0.063 (4)	0.058 (3)	0.057 (3)	0.031 (3)	0.014 (3)	0.030 (3)
C8	0.113 (5)	0.028 (2)	0.039 (3)	−0.024 (3)	0.028 (3)	−0.008 (2)
C9	0.037 (3)	0.097 (4)	0.044 (3)	−0.032 (3)	−0.004 (2)	0.025 (3)
C10	0.044 (3)	0.040 (3)	0.057 (3)	0.009 (2)	0.023 (2)	0.004 (2)
C11	0.028 (2)	0.0229 (18)	0.029 (2)	0.0022 (16)	−0.0028 (16)	−0.0017 (16)
C12	0.0222 (19)	0.030 (2)	0.034 (2)	−0.0003 (15)	0.0022 (16)	−0.0080 (17)
C13	0.0175 (17)	0.0186 (16)	0.0230 (18)	−0.0029 (13)	−0.0011 (14)	0.0033 (14)
C14	0.0219 (18)	0.0245 (18)	0.028 (2)	0.0011 (14)	−0.0025 (15)	−0.0023 (15)
C15	0.038 (2)	0.0206 (18)	0.030 (2)	−0.0028 (16)	−0.0009 (18)	−0.0007 (16)
C16	0.040 (2)	0.025 (2)	0.030 (2)	−0.0110 (17)	−0.0068 (18)	0.0024 (17)
C17	0.026 (2)	0.032 (2)	0.034 (2)	−0.0093 (16)	−0.0103 (17)	0.0053 (17)
C18	0.0218 (19)	0.0222 (19)	0.037 (2)	−0.0028 (14)	−0.0037 (16)	0.0048 (16)
C19	0.0194 (18)	0.0178 (16)	0.031 (2)	0.0001 (13)	0.0006 (15)	0.0033 (15)
C20	0.029 (2)	0.041 (2)	0.030 (2)	−0.0094 (17)	−0.0008 (17)	0.0012 (18)
C21	0.035 (2)	0.049 (3)	0.037 (2)	−0.008 (2)	0.010 (2)	0.005 (2)
C22	0.023 (2)	0.032 (2)	0.053 (3)	−0.0017 (16)	0.0131 (19)	0.005 (2)
C23	0.0177 (19)	0.027 (2)	0.057 (3)	−0.0046 (15)	0.0000 (18)	−0.0040 (19)
C24	0.0186 (18)	0.0224 (18)	0.035 (2)	−0.0015 (14)	0.0011 (16)	−0.0011 (16)
C25	0.0161 (17)	0.0156 (16)	0.041 (2)	−0.0036 (13)	−0.0024 (15)	0.0028 (16)
C26	0.028 (2)	0.0223 (19)	0.041 (2)	−0.0041 (15)	−0.0032 (18)	0.0066 (17)
C27	0.025 (2)	0.025 (2)	0.060 (3)	−0.0040 (16)	−0.008 (2)	0.015 (2)
C28	0.025 (2)	0.0179 (19)	0.082 (4)	0.0050 (15)	−0.001 (2)	0.008 (2)
C29	0.031 (2)	0.023 (2)	0.059 (3)	0.0060 (16)	0.004 (2)	−0.007 (2)
C30	0.0206 (19)	0.0232 (19)	0.045 (3)	−0.0001 (14)	0.0010 (17)	−0.0006 (17)

Geometric parameters (Å, º)

Fe1—C1	2.109 (4)	C9—H11	0.949
Fe1—C2	2.118 (4)	C9—H12	0.959
Fe1—C3	2.130 (4)	C10—H13	0.960
Fe1—C4	2.154 (4)	C10—H14	0.933
Fe1—C5	2.147 (4)	C10—H15	0.967
Fe1—C11	1.776 (4)	C13—C18	1.398 (5)
Fe1—C12	1.773 (4)	C13—C14	1.399 (5)
Fe1—P1	2.2519 (11)	C14—C15	1.380 (5)
P1—C13	1.826 (4)	C14—H16	0.964
P1—C19	1.838 (4)	C15—C16	1.404 (6)
P1—C25	1.839 (4)	C15—H17	0.966
P2—F1	1.559 (4)	C16—C17	1.379 (6)
P2—F2	1.575 (4)	C16—H18	0.957
P2—F3	1.528 (4)	C17—C18	1.393 (5)
P2—F4	1.564 (5)	C17—H19	0.957
P2—F5	1.560 (4)	C18—H20	0.951
P2—F6	1.541 (4)	C19—C20	1.393 (6)
O1—C11	1.145 (5)	C19—C24	1.399 (5)
O2—C12	1.146 (5)	C20—C21	1.395 (6)
C1—C2	1.417 (6)	C20—H21	0.964
C1—C5	1.434 (6)	C21—C22	1.380 (6)
C1—C6	1.505 (6)	C21—H22	0.969
C2—C3	1.426 (6)	C22—C23	1.375 (7)
C2—C7	1.506 (6)	C22—H23	0.964
C3—C4	1.429 (6)	C23—C24	1.393 (5)
C3—C8	1.502 (6)	C23—H24	0.963
C4—C5	1.418 (6)	C24—H25	0.962
C4—C9	1.478 (7)	C25—C30	1.386 (5)
C5—C10	1.497 (6)	C25—C26	1.401 (5)
C6—H1	0.967	C26—C27	1.391 (5)
C6—H2	0.956	C26—H26	0.955
C6—H3	0.948	C27—C28	1.397 (7)
C7—H4	0.949	C27—H27	0.960
C7—H5	0.939	C28—C29	1.381 (7)
C7—H6	0.978	C28—H28	0.953
C8—H7	0.954	C29—C30	1.399 (5)
C8—H8	0.958	C29—H29	0.958
C8—H9	0.958	C30—H30	0.973
C9—H10	0.953
F1···C4^i	3.052 (7)	F4···C1^i	3.518 (7)
F1···C5^i	3.073 (6)	F5···C18^iv	3.240 (6)
F1···C9^i	3.355 (7)	F5···C17^iv	3.353 (6)
F1···C10^i	3.404 (7)	F5···C26^iv	3.500 (7)
F1···C3^i	3.497 (7)	F6···C8^i	3.440 (9)
F1···C1^i	3.525 (7)	F6···C3^i	3.589 (8)
F2···O1^ii	3.365 (5)	F6···C10^iii	3.592 (8)
F2···C10^iii	3.529 (7)	O1···C27^v	3.443 (6)
F2···C7^ii	3.534 (8)	O1···C17^iv	3.465 (5)
F2···C27^iv	3.547 (7)	O2···O2^iii	2.997 (7)
F3···C10^iii	3.401 (8)	C6···C15^vi	3.589 (6)
F4···C2^i	3.167 (7)	C8···C21^v	3.553 (7)
F4···C3^i	3.414 (8)	C15···C24^v	3.529 (5)
F4···C7^i	3.416 (8)	C16···C23^v	3.542 (6)
F4···C7^ii	3.484 (8)
C12—Fe1—C11	97.38 (18)	H1—C6—H3	108.2
C12—Fe1—C1	88.01 (18)	H2—C6—H3	109.1
C11—Fe1—C1	113.36 (17)	C2—C7—H4	110.3
C12—Fe1—C2	119.91 (19)	C2—C7—H5	111.3
C11—Fe1—C2	85.89 (17)	H4—C7—H5	110.5
C1—Fe1—C2	39.17 (16)	C2—C7—H6	109.2
C12—Fe1—C3	153.66 (18)	H4—C7—H6	107.3
C11—Fe1—C3	96.42 (18)	H5—C7—H6	108.1
C1—Fe1—C3	65.91 (16)	C3—C8—H7	110.3
C2—Fe1—C3	39.23 (17)	C3—C8—H8	110.4
C12—Fe1—C5	92.43 (17)	H7—C8—H8	108.5
C11—Fe1—C5	150.80 (17)	C3—C8—H9	110.9
C1—Fe1—C5	39.38 (16)	H7—C8—H9	108.5
C2—Fe1—C5	65.48 (15)	H8—C8—H9	108.1
C3—Fe1—C5	65.39 (16)	C4—C9—H10	110.5
C12—Fe1—C4	127.48 (17)	C4—C9—H11	109.9
C11—Fe1—C4	134.14 (18)	H10—C9—H11	109.3
C1—Fe1—C4	65.36 (16)	C4—C9—H12	109.9
C2—Fe1—C4	65.19 (17)	H10—C9—H12	108.4
C3—Fe1—C4	38.96 (17)	H11—C9—H12	108.8
C5—Fe1—C4	38.50 (16)	C5—C10—H13	109.3
C11—Fe1—P1	90.84 (13)	C5—C10—H14	111.4
C12—Fe1—P1	92.64 (14)	H13—C10—H14	110.0
C1—Fe1—P1	155.53 (12)	C5—C10—H15	109.3
C2—Fe1—P1	147.44 (13)	H13—C10—H15	107.2
C3—Fe1—P1	109.49 (12)	H14—C10—H15	109.4
C5—Fe1—P1	116.19 (12)	O1—C11—Fe1	176.2 (4)
C4—Fe1—P1	95.54 (12)	O2—C12—Fe1	176.2 (4)
C13—P1—C19	101.54 (17)	C18—C13—C14	118.9 (3)
C13—P1—C25	106.32 (16)	C18—C13—P1	124.2 (3)
C19—P1—C25	101.30 (16)	C14—C13—P1	117.0 (3)
C13—P1—Fe1	115.10 (12)	C15—C14—C13	121.0 (4)
C19—P1—Fe1	114.01 (12)	C15—C14—H16	120.3
C25—P1—Fe1	116.64 (14)	C13—C14—H16	118.7
F3—P2—F6	92.5 (4)	C14—C15—C16	119.7 (4)
F3—P2—F1	95.5 (3)	C14—C15—H17	120.1
F6—P2—F1	92.1 (3)	C16—C15—H17	120.1
F3—P2—F5	87.9 (3)	C17—C16—C15	119.7 (4)
F6—P2—F5	179.4 (4)	C17—C16—H18	119.9
F1—P2—F5	88.3 (3)	C15—C16—H18	120.5
F3—P2—F4	175.4 (3)	C16—C17—C18	120.7 (4)
F6—P2—F4	86.3 (4)	C16—C17—H19	120.4
F1—P2—F4	89.0 (3)	C18—C17—H19	118.9
F5—P2—F4	93.3 (4)	C17—C18—C13	120.0 (4)
F3—P2—F2	85.7 (3)	C17—C18—H20	120.3
F6—P2—F2	88.2 (3)	C13—C18—H20	119.7
F1—P2—F2	178.8 (3)	C20—C19—C24	118.3 (4)
F5—P2—F2	91.4 (3)	C20—C19—P1	121.0 (3)
F4—P2—F2	89.8 (3)	C24—C19—P1	120.5 (3)
C2—C1—C5	108.0 (4)	C19—C20—C21	120.6 (4)
C2—C1—C6	126.7 (4)	C19—C20—H21	120.0
C5—C1—C6	124.9 (4)	C21—C20—H21	119.4
C2—C1—Fe1	70.7 (2)	C22—C21—C20	120.5 (4)
C5—C1—Fe1	71.7 (2)	C22—C21—H22	120.7
C6—C1—Fe1	128.9 (3)	C20—C21—H22	118.8
C1—C2—C3	108.4 (4)	C23—C22—C21	119.6 (4)
C1—C2—C7	125.3 (4)	C23—C22—H23	120.9
C3—C2—C7	126.0 (4)	C21—C22—H23	119.5
C1—C2—Fe1	70.1 (2)	C22—C23—C24	120.6 (4)
C3—C2—Fe1	70.9 (2)	C22—C23—H24	120.1
C7—C2—Fe1	129.1 (3)	C24—C23—H24	119.4
C2—C3—C4	107.5 (4)	C23—C24—C19	120.5 (4)
C2—C3—C8	124.4 (4)	C23—C24—H25	119.5
C4—C3—C8	127.1 (5)	C19—C24—H25	120.0
C2—C3—Fe1	69.9 (2)	C30—C25—C26	119.3 (3)
C4—C3—Fe1	71.4 (2)	C30—C25—P1	120.4 (3)
C8—C3—Fe1	132.9 (3)	C26—C25—P1	120.3 (3)
C5—C4—C3	108.5 (4)	C27—C26—C25	120.2 (4)
C5—C4—C9	125.1 (4)	C27—C26—H26	119.1
C3—C4—C9	125.7 (5)	C25—C26—H26	120.8
C5—C4—Fe1	70.5 (2)	C26—C27—C28	119.9 (4)
C3—C4—Fe1	69.6 (2)	C26—C27—H27	119.7
C9—C4—Fe1	133.2 (3)	C28—C27—H27	120.4
C4—C5—C1	107.6 (3)	C29—C28—C27	120.2 (4)
C4—C5—C10	126.6 (4)	C29—C28—H28	119.7
C1—C5—C10	125.0 (4)	C27—C28—H28	120.1
C4—C5—Fe1	71.0 (2)	C28—C29—C30	119.7 (4)
C1—C5—Fe1	68.9 (2)	C28—C29—H29	120.8
C10—C5—Fe1	133.2 (3)	C30—C29—H29	119.5
C1—C6—H1	110.1	C25—C30—C29	120.7 (4)
C1—C6—H2	110.9	C25—C30—H30	119.0
H1—C6—H2	107.5	C29—C30—H30	120.2
C1—C6—H3	110.9
C12—Fe1—P1—C13	175.46 (18)	Fe1—C3—C4—C9	−129.2 (4)
C11—Fe1—P1—C13	−87.11 (18)	C2—C3—C4—Fe1	−61.0 (3)
C1—Fe1—P1—C13	84.5 (3)	C8—C3—C4—Fe1	130.3 (4)
C2—Fe1—P1—C13	−3.4 (3)	C12—Fe1—C4—C5	28.6 (3)
C3—Fe1—P1—C13	10.00 (18)	C11—Fe1—C4—C5	−137.2 (3)
C5—Fe1—P1—C13	81.45 (18)	C1—Fe1—C4—C5	−37.9 (2)
C4—Fe1—P1—C13	47.41 (17)	C2—Fe1—C4—C5	−81.2 (3)
C12—Fe1—P1—C19	−67.76 (18)	C3—Fe1—C4—C5	−119.4 (4)
C11—Fe1—P1—C19	29.66 (18)	P1—Fe1—C4—C5	126.2 (2)
C1—Fe1—P1—C19	−158.8 (3)	C12—Fe1—C4—C3	148.0 (3)
C2—Fe1—P1—C19	113.3 (3)	C11—Fe1—C4—C3	−17.8 (4)
C3—Fe1—P1—C19	126.78 (18)	C1—Fe1—C4—C3	81.5 (3)
C5—Fe1—P1—C19	−161.77 (17)	C2—Fe1—C4—C3	38.2 (2)
C4—Fe1—P1—C19	164.18 (18)	C5—Fe1—C4—C3	119.4 (4)
C12—Fe1—P1—C25	49.85 (18)	P1—Fe1—C4—C3	−114.4 (2)
C11—Fe1—P1—C25	147.28 (18)	C12—Fe1—C4—C9	−91.7 (6)
C1—Fe1—P1—C25	−41.1 (3)	C11—Fe1—C4—C9	102.5 (5)
C2—Fe1—P1—C25	−129.1 (3)	C1—Fe1—C4—C9	−158.1 (6)
C3—Fe1—P1—C25	−115.60 (18)	C2—Fe1—C4—C9	158.5 (6)
C5—Fe1—P1—C25	−44.16 (18)	C3—Fe1—C4—C9	120.3 (6)
C4—Fe1—P1—C25	−78.20 (17)	C5—Fe1—C4—C9	−120.3 (6)
C12—Fe1—C1—C2	146.4 (3)	P1—Fe1—C4—C9	5.9 (5)
C11—Fe1—C1—C2	49.2 (3)	C3—C4—C5—C1	0.0 (5)
C3—Fe1—C1—C2	−37.4 (3)	C9—C4—C5—C1	−170.9 (4)
C5—Fe1—C1—C2	−117.4 (4)	Fe1—C4—C5—C1	59.4 (3)
C4—Fe1—C1—C2	−80.3 (3)	C3—C4—C5—C10	170.3 (4)
P1—Fe1—C1—C2	−121.6 (3)	C9—C4—C5—C10	−0.6 (7)
C12—Fe1—C1—C5	−96.3 (3)	Fe1—C4—C5—C10	−130.3 (4)
C11—Fe1—C1—C5	166.6 (2)	C3—C4—C5—Fe1	−59.4 (3)
C2—Fe1—C1—C5	117.4 (4)	C9—C4—C5—Fe1	129.7 (4)
C3—Fe1—C1—C5	80.0 (3)	C2—C1—C5—C4	1.1 (5)
C4—Fe1—C1—C5	37.0 (2)	C6—C1—C5—C4	174.1 (4)
P1—Fe1—C1—C5	−4.3 (4)	Fe1—C1—C5—C4	−60.8 (3)
C12—Fe1—C1—C6	24.2 (4)	C2—C1—C5—C10	−169.5 (4)
C11—Fe1—C1—C6	−73.0 (5)	C6—C1—C5—C10	3.6 (7)
C2—Fe1—C1—C6	−122.1 (5)	Fe1—C1—C5—C10	128.7 (4)
C3—Fe1—C1—C6	−159.5 (5)	C2—C1—C5—Fe1	61.8 (3)
C5—Fe1—C1—C6	120.5 (5)	C6—C1—C5—Fe1	−125.2 (5)
C4—Fe1—C1—C6	157.5 (5)	C12—Fe1—C5—C4	−157.7 (3)
P1—Fe1—C1—C6	116.2 (4)	C11—Fe1—C5—C4	92.5 (4)
C5—C1—C2—C3	−1.7 (5)	C1—Fe1—C5—C4	118.4 (3)
C6—C1—C2—C3	−174.5 (4)	C2—Fe1—C5—C4	80.4 (3)
Fe1—C1—C2—C3	60.8 (3)	C3—Fe1—C5—C4	37.0 (2)
C5—C1—C2—C7	173.1 (4)	P1—Fe1—C5—C4	−63.5 (2)
C6—C1—C2—C7	0.3 (7)	C12—Fe1—C5—C1	83.9 (3)
Fe1—C1—C2—C7	−124.4 (5)	C11—Fe1—C5—C1	−25.9 (5)
C5—C1—C2—Fe1	−62.5 (3)	C2—Fe1—C5—C1	−38.1 (2)
C6—C1—C2—Fe1	124.7 (5)	C3—Fe1—C5—C1	−81.4 (3)
C12—Fe1—C2—C1	−39.7 (3)	C4—Fe1—C5—C1	−118.4 (3)
C11—Fe1—C2—C1	−135.8 (3)	P1—Fe1—C5—C1	178.0 (2)
C3—Fe1—C2—C1	118.8 (4)	C12—Fe1—C5—C10	−34.9 (5)
C5—Fe1—C2—C1	38.3 (2)	C11—Fe1—C5—C10	−144.7 (4)
C4—Fe1—C2—C1	80.8 (3)	C1—Fe1—C5—C10	−118.8 (6)
P1—Fe1—C2—C1	139.0 (2)	C2—Fe1—C5—C10	−156.9 (5)
C12—Fe1—C2—C3	−158.5 (3)	C3—Fe1—C5—C10	159.8 (5)
C11—Fe1—C2—C3	105.4 (3)	C4—Fe1—C5—C10	122.8 (6)
C1—Fe1—C2—C3	−118.8 (4)	P1—Fe1—C5—C10	59.2 (5)
C5—Fe1—C2—C3	−80.5 (3)	C19—P1—C13—C18	117.2 (3)
C4—Fe1—C2—C3	−38.0 (2)	C25—P1—C13—C18	11.6 (4)
P1—Fe1—C2—C3	20.3 (4)	Fe1—P1—C13—C18	−119.2 (3)
C12—Fe1—C2—C7	80.2 (5)	C19—P1—C13—C14	−62.8 (3)
C11—Fe1—C2—C7	−16.0 (5)	C25—P1—C13—C14	−168.4 (3)
C1—Fe1—C2—C7	119.9 (6)	Fe1—P1—C13—C14	60.9 (3)
C3—Fe1—C2—C7	−121.4 (6)	C18—C13—C14—C15	0.6 (6)
C5—Fe1—C2—C7	158.1 (5)	P1—C13—C14—C15	−179.4 (3)
C4—Fe1—C2—C7	−159.3 (5)	C13—C14—C15—C16	0.2 (6)
P1—Fe1—C2—C7	−101.1 (5)	C14—C15—C16—C17	−1.1 (6)
C1—C2—C3—C4	1.7 (5)	C15—C16—C17—C18	1.1 (6)
C7—C2—C3—C4	−173.1 (4)	C16—C17—C18—C13	−0.4 (6)
Fe1—C2—C3—C4	62.0 (3)	C14—C13—C18—C17	−0.5 (6)
C1—C2—C3—C8	170.8 (4)	P1—C13—C18—C17	179.5 (3)
C7—C2—C3—C8	−4.0 (7)	C13—P1—C19—C20	−24.0 (4)
Fe1—C2—C3—C8	−128.9 (4)	C25—P1—C19—C20	85.5 (3)
C1—C2—C3—Fe1	−60.3 (3)	Fe1—P1—C19—C20	−148.3 (3)
C7—C2—C3—Fe1	124.9 (4)	C13—P1—C19—C24	160.5 (3)
C12—Fe1—C3—C2	45.8 (5)	C25—P1—C19—C24	−90.0 (3)
C11—Fe1—C3—C2	−75.4 (3)	Fe1—P1—C19—C24	36.2 (3)
C1—Fe1—C3—C2	37.3 (2)	C24—C19—C20—C21	−0.8 (6)
C5—Fe1—C3—C2	80.7 (3)	P1—C19—C20—C21	−176.4 (3)
C4—Fe1—C3—C2	117.4 (3)	C19—C20—C21—C22	1.0 (7)
P1—Fe1—C3—C2	−168.6 (2)	C20—C21—C22—C23	0.0 (7)
C12—Fe1—C3—C4	−71.5 (5)	C21—C22—C23—C24	−1.1 (7)
C11—Fe1—C3—C4	167.2 (3)	C22—C23—C24—C19	1.2 (6)
C1—Fe1—C3—C4	−80.0 (3)	C20—C19—C24—C23	−0.3 (6)
C2—Fe1—C3—C4	−117.4 (3)	P1—C19—C24—C23	175.3 (3)
C5—Fe1—C3—C4	−36.6 (2)	C13—P1—C25—C30	−130.5 (3)
P1—Fe1—C3—C4	74.1 (2)	C19—P1—C25—C30	123.8 (3)
C12—Fe1—C3—C8	164.6 (5)	Fe1—P1—C25—C30	−0.6 (3)
C11—Fe1—C3—C8	43.3 (5)	C13—P1—C25—C26	52.8 (3)
C1—Fe1—C3—C8	156.1 (6)	C19—P1—C25—C26	−52.9 (3)
C2—Fe1—C3—C8	118.7 (6)	Fe1—P1—C25—C26	−177.3 (3)
C5—Fe1—C3—C8	−160.5 (6)	C30—C25—C26—C27	−0.6 (6)
C4—Fe1—C3—C8	−123.9 (6)	P1—C25—C26—C27	176.2 (3)
P1—Fe1—C3—C8	−49.8 (5)	C25—C26—C27—C28	0.1 (6)
C2—C3—C4—C5	−1.0 (5)	C26—C27—C28—C29	−0.6 (6)
C8—C3—C4—C5	−169.7 (4)	C27—C28—C29—C30	1.4 (6)
Fe1—C3—C4—C5	60.0 (3)	C26—C25—C30—C29	1.4 (6)
C2—C3—C4—C9	169.8 (4)	P1—C25—C30—C29	−175.4 (3)
C8—C3—C4—C9	1.1 (7)	C28—C29—C30—C25	−1.8 (6)

Symmetry codes: (i) x−1/2, −y+1/2, −z+1; (ii) −x+1/2, y−1/2, z; (iii) −x+1, −y, −z+1; (iv) x−1/2, y, −z+3/2; (v) −x+1, y+1/2, −z+3/2; (vi) x, −y+1/2, z−1/2.