Carbonyl(η⁵-cyclo­penta­dienyl)(tri­methyl­silyl isocyanide)(tri­phenyl­phosphine)­iron(II) tri­fluoro­methane­sulfonate di­chloro­methane hemisolvate

In the title compound, [Fe(C₅H₅)(C₄H₉NSi)(C₁₈H₁₅P)(CO)](CF₃SO₃)·0.5CH₂Cl₂, the Fe^II atom is coordinated by carbonyl, tri­phenyl­phosphine, tri­methyl­silyl isocyanide and cyclo­penta­dienyl ligands in a typical piano-stool structure. The Fe—C—N—Si arrangement is almost linear and the Fe—C, C—N and N—Si bond distances are 1.836 (3), 1.162 (4) and 1.792 (3) Å, respectively.

Key indicators

• Single-crystal X-ray study
• T = 203 K
• Mean [sigma](C-C) = 0.006 Å
• Disorder in solvent or counterion
• R factor = 0.061
• wR factor = 0.154
• Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Si1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C29
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.29
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................       8.00 Perc.
PLAT432_ALERT_2_C Short Inter X...Y Contact  Si1    ..  O4      ..       3.34 Ang.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   3 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
   1 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: TEXSAN (Molecular Structure Corporation, 2000); program(s) used to solve structure: SIR92 (Altomare, 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXL97; software used to prepare material for publication: TEXSAN.

Carbonyl(η⁵-cyclopentadienyl)(trimethylsilyl isocyanide)(triphenylphosphine)iron(II) trifluoromethanesulfonate dichloromethane hemisolvate

Crystal data

[Fe(C5H5)(C4H9NSi)(C18H15P)(CO)](CF3SO3)·0.5CH2Cl2	Z = 2
Mr = 701.98	F(000) = 722.00
Triclinic, P1	Dx = 1.447 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.7107 Å
a = 9.429 (2) Å	Cell parameters from 6485 reflections
b = 13.055 (3) Å	θ = 3.1–27.5°
c = 13.510 (3) Å	µ = 0.75 mm^−1
α = 95.995 (4)°	T = 203 K
β = 100.673 (4)°	Needle, yellow
γ = 96.272 (4)°	0.47 × 0.11 × 0.09 mm
V = 1611.0 (6) Å^3

Data collection

Rigaku/MSC Mercury CCD diffractometer	5918 reflections with I > 2σ(I)
Detector resolution: 14.62 pixels mm^-1	Rint = 0.023
ω scans	θmax = 27.5°
Absorption correction: multi-scan (Jacobson, 1998)	h = −12→12
Tmin = 0.839, Tmax = 0.934	k = −16→14
15438 measured reflections	l = −17→13
7155 independent reflections

Refinement

Refinement on F^2	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.061	w = 1/[σ^2(Fo^2) + (0.0697P)^2 + 2.9827P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.154	(Δ/σ)max < 0.001
S = 1.04	Δρmax = 1.03 e Å^−3
7155 reflections	Δρmin = −0.84 e Å^−3
388 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	Occ. (<1)
Fe1	0.82569 (5)	0.35941 (3)	0.68265 (3)	0.02212 (13)
Cl1	0.5689 (3)	0.0528 (2)	0.93044 (19)	0.1372 (9)
S1	0.60972 (12)	0.38426 (9)	0.23673 (8)	0.0453 (3)
P1	0.89276 (8)	0.21383 (6)	0.61480 (6)	0.02104 (17)
Si1	1.20721 (11)	0.35826 (8)	0.96967 (7)	0.0332 (2)
F1	0.7505 (8)	0.2977 (4)	0.1119 (4)	0.163 (3)
F2	0.6535 (9)	0.1956 (3)	0.1899 (5)	0.179 (3)
F3	0.8268 (7)	0.2816 (5)	0.2717 (5)	0.169 (3)
O1	0.5791 (3)	0.2526 (2)	0.7474 (3)	0.0558 (8)
O2	0.5791 (6)	0.3623 (3)	0.3309 (3)	0.0857 (14)
O3	0.7124 (7)	0.4760 (4)	0.2434 (5)	0.129 (2)
O4	0.4982 (6)	0.3854 (7)	0.1585 (4)	0.149 (3)
N1	1.0534 (3)	0.3558 (2)	0.8687 (2)	0.0365 (7)
C1	0.8710 (5)	0.5221 (3)	0.7067 (3)	0.0418 (9)
H1	0.9185	0.5616	0.7695	0.042*
C2	0.7208 (5)	0.4934 (3)	0.6749 (3)	0.0423 (9)
H2	0.6484	0.5096	0.7124	0.042*
C3	0.6954 (4)	0.4352 (3)	0.5762 (3)	0.0351 (8)
H3	0.6030	0.4062	0.5363	0.035*
C4	0.8309 (4)	0.4288 (3)	0.5487 (3)	0.0321 (7)
H4	0.8462	0.3944	0.4865	0.032*
C5	0.9411 (4)	0.4817 (3)	0.6288 (3)	0.0355 (8)
H5	1.0431	0.4893	0.6305	0.036*
C6	0.6788 (4)	0.2923 (3)	0.7230 (3)	0.0331 (7)
C7	0.9629 (4)	0.3554 (2)	0.7974 (2)	0.0285 (7)
C8	1.2440 (5)	0.4943 (3)	1.0290 (3)	0.0474 (10)
H6	1.3252	0.5023	1.0839	0.047*
H7	1.2640	0.5383	0.9804	0.047*
H8	1.1609	0.5127	1.0542	0.047*
C9	1.1432 (6)	0.2646 (4)	1.0505 (4)	0.0582 (12)
H9	1.0613	0.2866	1.0748	0.058*
H10	1.1147	0.1978	1.0116	0.058*
H11	1.2186	0.2603	1.1063	0.058*
C10	1.3512 (5)	0.3163 (4)	0.9060 (3)	0.0529 (11)
H12	1.3206	0.2487	0.8700	0.053*
H13	1.3707	0.3634	0.8590	0.053*
H14	1.4376	0.3158	0.9547	0.053*
C11	0.7540 (3)	0.1279 (2)	0.5217 (2)	0.0238 (6)
C12	0.6530 (4)	0.1703 (3)	0.4540 (3)	0.0314 (7)
H15	0.6529	0.2436	0.4599	0.031*
C13	0.5526 (4)	0.1066 (3)	0.3786 (3)	0.0379 (8)
H16	0.4850	0.1361	0.3318	0.038*
C14	0.5509 (4)	0.0000 (3)	0.3710 (3)	0.0368 (8)
H17	0.4828	−0.0437	0.3187	0.037*
C15	0.6471 (4)	−0.0431 (3)	0.4388 (3)	0.0348 (8)
H18	0.6437	−0.1166	0.4345	0.035*
C16	0.7490 (4)	0.0205 (3)	0.5132 (3)	0.0303 (7)
H19	0.8163	−0.0097	0.5591	0.030*
C17	1.0425 (3)	0.2403 (2)	0.5487 (2)	0.0243 (6)
C18	1.0354 (4)	0.1998 (3)	0.4482 (3)	0.0284 (7)
H20	0.9520	0.1543	0.4124	0.028*
C19	1.1496 (4)	0.2258 (3)	0.4000 (3)	0.0372 (8)
H21	1.1439	0.1981	0.3312	0.037*
C20	1.2719 (4)	0.2914 (3)	0.4512 (3)	0.0377 (8)
H22	1.3498	0.3086	0.4178	0.038*
C21	1.2801 (4)	0.3322 (3)	0.5511 (3)	0.0357 (8)
H23	1.3639	0.3777	0.5864	0.036*
C22	1.1663 (4)	0.3068 (3)	0.5999 (3)	0.0313 (7)
H24	1.1727	0.3348	0.6685	0.031*
C23	0.9582 (3)	0.1264 (2)	0.7057 (2)	0.0253 (6)
C24	1.0901 (4)	0.0880 (3)	0.7068 (3)	0.0355 (8)
H25	1.1509	0.1103	0.6621	0.036*
C25	1.1342 (5)	0.0175 (3)	0.7728 (3)	0.0452 (9)
H26	1.2247	−0.0086	0.7728	0.045*
C26	1.0486 (5)	−0.0146 (3)	0.8378 (3)	0.0453 (10)
H27	1.0794	−0.0626	0.8830	0.045*
C27	0.9180 (5)	0.0225 (3)	0.8376 (3)	0.0493 (10)
H28	0.8576	−0.0009	0.8820	0.049*
C28	0.8728 (4)	0.0933 (3)	0.7727 (3)	0.0400 (9)
H29	0.7831	0.1198	0.7742	0.040*
C29	0.7167 (8)	0.2897 (4)	0.1978 (5)	0.0744 (17)
C30	0.4455 (14)	0.0630 (13)	1.0080 (11)	0.099 (5)	0.50
H30	0.4775	0.1219	1.0579	0.099*	0.50
H31	0.3534	0.0701	0.9690	0.099*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.0218 (2)	0.0216 (2)	0.0237 (2)	0.00469 (16)	0.00554 (17)	0.00247 (16)
Cl1	0.146 (2)	0.180 (2)	0.1088 (16)	0.0301 (18)	0.0679 (16)	0.0354 (16)
S1	0.0503 (6)	0.0520 (6)	0.0360 (5)	0.0240 (5)	0.0021 (4)	0.0098 (4)
P1	0.0206 (4)	0.0207 (4)	0.0229 (4)	0.0038 (3)	0.0057 (3)	0.0037 (3)
Si1	0.0332 (5)	0.0389 (5)	0.0266 (5)	0.0087 (4)	0.0015 (4)	0.0035 (4)
F1	0.296 (7)	0.124 (3)	0.163 (4)	0.130 (4)	0.185 (5)	0.090 (3)
F2	0.365 (10)	0.043 (2)	0.172 (5)	0.018 (3)	0.173 (6)	0.008 (3)
F3	0.145 (5)	0.206 (6)	0.215 (6)	0.133 (5)	0.070 (4)	0.115 (5)
O1	0.0447 (17)	0.0485 (17)	0.085 (2)	0.0033 (13)	0.0403 (17)	0.0109 (16)
O2	0.137 (4)	0.091 (3)	0.054 (2)	0.064 (3)	0.041 (2)	0.030 (2)
O3	0.169 (6)	0.058 (3)	0.153 (5)	−0.029 (3)	0.048 (4)	−0.002 (3)
O4	0.076 (3)	0.300 (9)	0.075 (3)	0.077 (4)	−0.013 (3)	0.043 (4)
N1	0.0356 (16)	0.0412 (17)	0.0301 (15)	0.0077 (13)	0.0002 (13)	0.0009 (12)
C1	0.060 (3)	0.0204 (17)	0.041 (2)	0.0061 (16)	0.0044 (18)	−0.0020 (14)
C2	0.051 (2)	0.036 (2)	0.050 (2)	0.0253 (17)	0.0226 (19)	0.0136 (17)
C3	0.0323 (18)	0.0339 (18)	0.0394 (19)	0.0093 (14)	0.0008 (15)	0.0132 (15)
C4	0.0410 (19)	0.0284 (17)	0.0306 (17)	0.0075 (14)	0.0109 (15)	0.0105 (13)
C5	0.0321 (18)	0.0272 (17)	0.048 (2)	−0.0013 (13)	0.0079 (15)	0.0126 (15)
C6	0.0332 (18)	0.0320 (18)	0.0381 (18)	0.0107 (14)	0.0137 (15)	0.0045 (14)
C7	0.0331 (17)	0.0261 (16)	0.0273 (16)	0.0049 (13)	0.0096 (14)	0.0006 (12)
C8	0.058 (3)	0.046 (2)	0.034 (2)	0.0073 (19)	−0.0003 (18)	−0.0025 (17)
C9	0.065 (3)	0.060 (3)	0.049 (3)	0.001 (2)	0.008 (2)	0.019 (2)
C10	0.043 (2)	0.070 (3)	0.047 (2)	0.022 (2)	0.0066 (19)	0.001 (2)
C11	0.0209 (14)	0.0244 (15)	0.0270 (15)	0.0014 (11)	0.0078 (12)	0.0045 (12)
C12	0.0298 (17)	0.0286 (17)	0.0336 (17)	0.0010 (13)	0.0010 (14)	0.0057 (13)
C13	0.0329 (19)	0.040 (2)	0.0365 (19)	−0.0011 (15)	−0.0014 (15)	0.0057 (15)
C14	0.0318 (18)	0.0381 (19)	0.0366 (19)	−0.0086 (14)	0.0096 (15)	−0.0046 (15)
C15	0.0378 (19)	0.0245 (16)	0.042 (2)	−0.0019 (14)	0.0167 (16)	−0.0028 (14)
C16	0.0302 (17)	0.0259 (16)	0.0356 (18)	0.0041 (13)	0.0095 (14)	0.0025 (13)
C17	0.0216 (14)	0.0237 (15)	0.0305 (16)	0.0050 (11)	0.0095 (12)	0.0068 (12)
C18	0.0281 (16)	0.0286 (16)	0.0305 (16)	0.0052 (13)	0.0092 (13)	0.0046 (13)
C19	0.042 (2)	0.042 (2)	0.0354 (19)	0.0124 (16)	0.0209 (16)	0.0123 (15)
C20	0.0324 (18)	0.0382 (19)	0.052 (2)	0.0109 (15)	0.0230 (17)	0.0192 (16)
C21	0.0258 (17)	0.0316 (18)	0.053 (2)	0.0026 (13)	0.0136 (15)	0.0090 (16)
C22	0.0258 (16)	0.0288 (17)	0.0399 (19)	0.0032 (13)	0.0101 (14)	0.0012 (14)
C23	0.0263 (15)	0.0244 (15)	0.0252 (15)	0.0059 (12)	0.0030 (12)	0.0041 (12)
C24	0.0349 (19)	0.0376 (19)	0.0401 (19)	0.0159 (15)	0.0121 (15)	0.0124 (15)
C25	0.044 (2)	0.045 (2)	0.053 (2)	0.0231 (18)	0.0089 (18)	0.0178 (18)
C26	0.060 (3)	0.038 (2)	0.042 (2)	0.0164 (18)	0.0055 (19)	0.0204 (17)
C27	0.058 (3)	0.054 (3)	0.047 (2)	0.018 (2)	0.023 (2)	0.028 (2)
C28	0.038 (2)	0.046 (2)	0.046 (2)	0.0145 (16)	0.0188 (17)	0.0228 (17)
C29	0.097 (5)	0.064 (3)	0.082 (4)	0.035 (3)	0.045 (4)	0.024 (3)
C30	0.059 (8)	0.144 (14)	0.085 (9)	0.022 (8)	−0.008 (7)	0.006 (9)

Geometric parameters (Å, º)

Fe1—C6	1.760 (4)	C9—H11	0.946
Fe1—C7	1.836 (3)	C10—H12	0.950
Fe1—C1	2.099 (4)	C10—H13	0.957
Fe1—C5	2.102 (3)	C10—H14	0.949
Fe1—C2	2.103 (3)	C11—C16	1.390 (5)
Fe1—C4	2.113 (3)	C11—C12	1.396 (5)
Fe1—C3	2.113 (3)	C12—C13	1.386 (5)
Fe1—P1	2.2283 (9)	C12—H15	0.951
Cl1—C30	1.710 (15)	C13—C14	1.382 (5)
Cl1—C30^i	1.805 (18)	C13—H16	0.953
S1—O4	1.348 (4)	C14—C15	1.375 (6)
S1—O2	1.406 (4)	C14—H17	0.951
S1—O3	1.439 (5)	C15—C16	1.385 (5)
S1—C29	1.775 (5)	C15—H18	0.952
P1—C11	1.823 (3)	C16—H19	0.950
P1—C17	1.826 (3)	C17—C18	1.392 (4)
P1—C23	1.832 (3)	C17—C22	1.396 (5)
Si1—N1	1.792 (3)	C18—C19	1.387 (5)
Si1—C10	1.838 (4)	C18—H20	0.950
Si1—C8	1.839 (4)	C19—C20	1.381 (6)
Si1—C9	1.848 (5)	C19—H21	0.950
F1—C29	1.270 (7)	C20—C21	1.384 (6)
F2—C29	1.291 (8)	C20—H22	0.949
F3—C29	1.322 (9)	C21—C22	1.388 (5)
O1—C6	1.142 (4)	C21—H23	0.950
N1—C7	1.162 (4)	C22—H24	0.949
C1—C2	1.398 (6)	C23—C24	1.389 (5)
C1—C5	1.429 (6)	C23—C28	1.389 (5)
C1—H1	0.951	C24—C25	1.390 (5)
C2—C3	1.429 (6)	C24—H25	0.953
C2—H2	0.952	C25—C26	1.366 (6)
C3—C4	1.404 (5)	C25—H26	0.953
C3—H3	0.951	C26—C27	1.372 (6)
C4—C5	1.413 (5)	C26—H27	0.949
C4—H4	0.953	C27—C28	1.385 (5)
C5—H5	0.952	C27—H28	0.952
C8—H6	0.951	C28—H29	0.951
C8—H7	0.947	C30—Cl1^i	1.805 (18)
C8—H8	0.953	C30—H30	0.950
C9—H9	0.953	C30—H31	0.948
C9—H10	0.954
Si1···O4^ii	3.342 (4)	O3···C10^iii	3.583 (7)
F1···C8^iii	3.477 (6)	O3···N1^iii	3.587 (7)
F2···C30^iv	3.077 (14)	O4···C8^viii	3.247 (8)
F3···C5^iii	3.565 (6)	O4···C10^viii	3.421 (6)
F3···C1^iii	3.566 (7)	O4···C9^viii	3.518 (7)
O1···C10^v	3.410 (6)	C2···C20^iii	3.435 (5)
O1···C14^vi	3.497 (4)	C13···C15^vi	3.482 (5)
O2···C2^vii	3.559 (6)	C14···C16^vi	3.475 (5)
O3···C22^iii	3.312 (5)	C14···C15^vi	3.480 (5)
O3···C5^iii	3.358 (7)	C15···C24^ix	3.498 (5)
O3···C21^iii	3.524 (6)
C6—Fe1—C7	96.63 (16)	H6—C8—H7	109.6
C6—Fe1—C1	122.10 (16)	Si1—C8—H8	109.4
C7—Fe1—C1	88.42 (15)	H6—C8—H8	109.1
C6—Fe1—C5	157.19 (15)	H7—C8—H8	109.4
C7—Fe1—C5	96.32 (15)	Si1—C9—H9	109.6
C1—Fe1—C5	39.77 (16)	Si1—C9—H10	109.5
C6—Fe1—C2	91.31 (16)	H9—C9—H10	108.8
C7—Fe1—C2	117.13 (16)	Si1—C9—H11	109.9
C1—Fe1—C2	38.88 (17)	H9—C9—H11	109.5
C5—Fe1—C2	66.05 (15)	H10—C9—H11	109.4
C6—Fe1—C4	130.07 (16)	Si1—C10—H12	109.9
C7—Fe1—C4	133.19 (15)	Si1—C10—H13	109.5
C1—Fe1—C4	65.86 (15)	H12—C10—H13	108.9
C5—Fe1—C4	39.17 (14)	Si1—C10—H14	109.9
C2—Fe1—C4	65.78 (14)	H12—C10—H14	109.6
C6—Fe1—C3	95.39 (16)	H13—C10—H14	109.0
C7—Fe1—C3	154.07 (15)	C16—C11—C12	118.5 (3)
C1—Fe1—C3	65.76 (15)	C16—C11—P1	121.8 (3)
C5—Fe1—C3	65.73 (14)	C12—C11—P1	119.7 (2)
C2—Fe1—C3	39.61 (16)	C13—C12—C11	120.6 (3)
C4—Fe1—C3	38.81 (14)	C13—C12—H15	119.7
C6—Fe1—P1	93.12 (11)	C11—C12—H15	119.7
C7—Fe1—P1	88.48 (10)	C14—C13—C12	119.9 (3)
C1—Fe1—P1	144.77 (12)	C14—C13—H16	120.0
C5—Fe1—P1	105.92 (11)	C12—C13—H16	120.2
C2—Fe1—P1	153.31 (12)	C15—C14—C13	120.3 (3)
C4—Fe1—P1	91.65 (10)	C15—C14—H17	119.8
C3—Fe1—P1	113.72 (11)	C13—C14—H17	119.9
C30—Cl1—C30^i	71.1 (8)	C14—C15—C16	119.9 (3)
O4—S1—O2	119.1 (3)	C14—C15—H18	120.1
O4—S1—O3	108.6 (5)	C16—C15—H18	120.0
O2—S1—O3	113.9 (3)	C15—C16—C11	120.9 (3)
O4—S1—C29	107.2 (4)	C15—C16—H19	119.6
O2—S1—C29	107.0 (2)	C11—C16—H19	119.6
O3—S1—C29	98.9 (3)	C18—C17—C22	118.9 (3)
C11—P1—C17	104.53 (14)	C18—C17—P1	122.5 (2)
C11—P1—C23	102.51 (14)	C22—C17—P1	118.6 (2)
C17—P1—C23	104.49 (14)	C19—C18—C17	120.3 (3)
C11—P1—Fe1	116.77 (10)	C19—C18—H20	119.9
C17—P1—Fe1	112.00 (10)	C17—C18—H20	119.9
C23—P1—Fe1	115.16 (10)	C20—C19—C18	120.5 (3)
N1—Si1—C10	104.60 (18)	C20—C19—H21	119.7
N1—Si1—C8	104.24 (17)	C18—C19—H21	119.8
C10—Si1—C8	114.0 (2)	C19—C20—C21	119.7 (3)
N1—Si1—C9	104.0 (2)	C19—C20—H22	120.1
C10—Si1—C9	113.6 (2)	C21—C20—H22	120.2
C8—Si1—C9	114.7 (2)	C20—C21—C22	120.1 (3)
C7—N1—Si1	173.6 (3)	C20—C21—H23	119.9
C2—C1—C5	108.3 (3)	C22—C21—H23	120.0
C2—C1—Fe1	70.7 (2)	C21—C22—C17	120.5 (3)
C5—C1—Fe1	70.26 (19)	C21—C22—H24	119.7
C2—C1—H1	125.9	C17—C22—H24	119.8
C5—C1—H1	125.7	C24—C23—C28	118.3 (3)
Fe1—C1—H1	124.7	C24—C23—P1	121.5 (3)
C1—C2—C3	107.9 (3)	C28—C23—P1	120.2 (3)
C1—C2—Fe1	70.4 (2)	C23—C24—C25	120.6 (3)
C3—C2—Fe1	70.57 (19)	C23—C24—H25	119.7
C1—C2—H2	126.0	C25—C24—H25	119.7
C3—C2—H2	126.1	C26—C25—C24	120.4 (4)
Fe1—C2—H2	124.6	C26—C25—H26	119.6
C4—C3—C2	107.8 (3)	C24—C25—H26	119.9
C4—C3—Fe1	70.58 (19)	C25—C26—C27	119.7 (3)
C2—C3—Fe1	69.8 (2)	C25—C26—H27	120.1
C4—C3—H3	126.2	C27—C26—H27	120.2
C2—C3—H3	126.0	C26—C27—C28	120.6 (4)
Fe1—C3—H3	125.2	C26—C27—H28	119.7
C3—C4—C5	108.6 (3)	C28—C27—H28	119.7
C3—C4—Fe1	70.6 (2)	C27—C28—C23	120.4 (3)
C5—C4—Fe1	70.0 (2)	C27—C28—H29	120.0
C3—C4—H4	125.7	C23—C28—H29	119.6
C5—C4—H4	125.7	F1—C29—F2	104.6 (6)
Fe1—C4—H4	125.2	F1—C29—F3	114.9 (6)
C4—C5—C1	107.3 (3)	F2—C29—F3	96.9 (6)
C4—C5—Fe1	70.81 (19)	F1—C29—S1	114.6 (4)
C1—C5—Fe1	70.0 (2)	F2—C29—S1	113.3 (5)
C4—C5—H5	126.4	F3—C29—S1	111.0 (5)
C1—C5—H5	126.3	Cl1—C30—Cl1^i	108.9 (8)
Fe1—C5—H5	124.6	Cl1—C30—H30	109.6
O1—C6—Fe1	176.4 (3)	Cl1^i—C30—H30	109.5
N1—C7—Fe1	177.3 (3)	Cl1—C30—H31	109.8
Si1—C8—H6	109.5	Cl1^i—C30—H31	109.5
Si1—C8—H7	109.7	H30—C30—H31	109.6
C6—Fe1—P1—C11	54.77 (17)	C1—Fe1—C4—C5	38.4 (2)
C7—Fe1—P1—C11	151.32 (15)	C2—Fe1—C4—C5	81.2 (2)
C1—Fe1—P1—C11	−123.6 (2)	C3—Fe1—C4—C5	119.2 (3)
C5—Fe1—P1—C11	−112.54 (16)	P1—Fe1—C4—C5	−113.5 (2)
C2—Fe1—P1—C11	−44.4 (3)	C3—C4—C5—C1	−0.4 (4)
C4—Fe1—P1—C11	−75.51 (15)	Fe1—C4—C5—C1	−60.8 (2)
C3—Fe1—P1—C11	−42.52 (16)	C3—C4—C5—Fe1	60.3 (2)
C6—Fe1—P1—C17	175.23 (16)	C2—C1—C5—C4	0.5 (4)
C7—Fe1—P1—C17	−88.21 (15)	Fe1—C1—C5—C4	61.3 (2)
C1—Fe1—P1—C17	−3.1 (2)	C2—C1—C5—Fe1	−60.8 (3)
C5—Fe1—P1—C17	7.92 (16)	C6—Fe1—C5—C4	−73.2 (5)
C2—Fe1—P1—C17	76.1 (3)	C7—Fe1—C5—C4	162.6 (2)
C4—Fe1—P1—C17	44.96 (15)	C1—Fe1—C5—C4	−117.6 (3)
C3—Fe1—P1—C17	77.95 (16)	C2—Fe1—C5—C4	−80.5 (2)
C6—Fe1—P1—C23	−65.56 (17)	C3—Fe1—C5—C4	−36.9 (2)
C7—Fe1—P1—C23	30.99 (16)	P1—Fe1—C5—C4	72.4 (2)
C1—Fe1—P1—C23	116.1 (2)	C6—Fe1—C5—C1	44.4 (5)
C5—Fe1—P1—C23	127.13 (16)	C7—Fe1—C5—C1	−79.8 (2)
C2—Fe1—P1—C23	−164.7 (3)	C2—Fe1—C5—C1	37.1 (2)
C4—Fe1—P1—C23	164.16 (15)	C4—Fe1—C5—C1	117.6 (3)
C3—Fe1—P1—C23	−162.85 (16)	C3—Fe1—C5—C1	80.7 (2)
C6—Fe1—C1—C2	−42.7 (3)	P1—Fe1—C5—C1	−170.1 (2)
C7—Fe1—C1—C2	−139.5 (2)	C17—P1—C11—C16	89.9 (3)
C5—Fe1—C1—C2	118.6 (3)	C23—P1—C11—C16	−18.9 (3)
C4—Fe1—C1—C2	80.8 (2)	Fe1—P1—C11—C16	−145.7 (2)
C3—Fe1—C1—C2	38.0 (2)	C17—P1—C11—C12	−87.4 (3)
P1—Fe1—C1—C2	135.3 (2)	C23—P1—C11—C12	163.8 (3)
C6—Fe1—C1—C5	−161.3 (2)	Fe1—P1—C11—C12	37.0 (3)
C7—Fe1—C1—C5	101.8 (2)	C16—C11—C12—C13	−1.5 (5)
C2—Fe1—C1—C5	−118.6 (3)	P1—C11—C12—C13	175.9 (3)
C4—Fe1—C1—C5	−37.9 (2)	C11—C12—C13—C14	0.8 (6)
C3—Fe1—C1—C5	−80.6 (2)	C12—C13—C14—C15	0.9 (6)
P1—Fe1—C1—C5	16.7 (3)	C13—C14—C15—C16	−1.9 (5)
C5—C1—C2—C3	−0.4 (4)	C14—C15—C16—C11	1.2 (5)
Fe1—C1—C2—C3	−60.9 (3)	C12—C11—C16—C15	0.5 (5)
C5—C1—C2—Fe1	60.5 (3)	P1—C11—C16—C15	−176.8 (3)
C6—Fe1—C2—C1	144.9 (3)	C11—P1—C17—C18	1.2 (3)
C7—Fe1—C2—C1	46.8 (3)	C23—P1—C17—C18	108.5 (3)
C5—Fe1—C2—C1	−37.9 (2)	Fe1—P1—C17—C18	−126.2 (2)
C4—Fe1—C2—C1	−81.0 (3)	C11—P1—C17—C22	178.6 (3)
C3—Fe1—C2—C1	−118.2 (3)	C23—P1—C17—C22	−74.1 (3)
P1—Fe1—C2—C1	−115.5 (3)	Fe1—P1—C17—C22	51.3 (3)
C6—Fe1—C2—C3	−96.9 (2)	C22—C17—C18—C19	−0.2 (5)
C7—Fe1—C2—C3	165.0 (2)	P1—C17—C18—C19	177.3 (3)
C1—Fe1—C2—C3	118.2 (3)	C17—C18—C19—C20	0.3 (5)
C5—Fe1—C2—C3	80.3 (2)	C18—C19—C20—C21	−0.4 (5)
C4—Fe1—C2—C3	37.2 (2)	C19—C20—C21—C22	0.3 (5)
P1—Fe1—C2—C3	2.7 (4)	C20—C21—C22—C17	−0.1 (5)
C1—C2—C3—C4	0.1 (4)	C18—C17—C22—C21	0.1 (5)
Fe1—C2—C3—C4	−60.6 (2)	P1—C17—C22—C21	−177.5 (3)
C1—C2—C3—Fe1	60.8 (3)	C11—P1—C23—C24	103.4 (3)
C6—Fe1—C3—C4	−156.1 (2)	C17—P1—C23—C24	−5.4 (3)
C7—Fe1—C3—C4	86.6 (4)	Fe1—P1—C23—C24	−128.7 (3)
C1—Fe1—C3—C4	81.0 (2)	C11—P1—C23—C28	−73.8 (3)
C5—Fe1—C3—C4	37.2 (2)	C17—P1—C23—C28	177.4 (3)
C2—Fe1—C3—C4	118.4 (3)	Fe1—P1—C23—C28	54.1 (3)
P1—Fe1—C3—C4	−60.3 (2)	C28—C23—C24—C25	0.7 (6)
C6—Fe1—C3—C2	85.5 (2)	P1—C23—C24—C25	−176.6 (3)
C7—Fe1—C3—C2	−31.8 (4)	C23—C24—C25—C26	−0.3 (7)
C1—Fe1—C3—C2	−37.4 (2)	C24—C25—C26—C27	0.4 (7)
C5—Fe1—C3—C2	−81.2 (2)	C25—C26—C27—C28	−0.7 (7)
C4—Fe1—C3—C2	−118.4 (3)	C26—C27—C28—C23	1.1 (7)
P1—Fe1—C3—C2	−178.7 (2)	C24—C23—C28—C27	−1.0 (6)
C2—C3—C4—C5	0.2 (4)	P1—C23—C28—C27	176.3 (3)
Fe1—C3—C4—C5	−60.0 (2)	O4—S1—C29—F1	49.6 (7)
C2—C3—C4—Fe1	60.2 (2)	O2—S1—C29—F1	178.4 (6)
C6—Fe1—C4—C3	31.8 (3)	O3—S1—C29—F1	−63.2 (7)
C7—Fe1—C4—C3	−143.2 (2)	O4—S1—C29—F2	−70.4 (7)
C1—Fe1—C4—C3	−80.7 (2)	O2—S1—C29—F2	58.4 (6)
C5—Fe1—C4—C3	−119.2 (3)	O3—S1—C29—F2	176.8 (6)
C2—Fe1—C4—C3	−38.0 (2)	O4—S1—C29—F3	−178.2 (6)
P1—Fe1—C4—C3	127.3 (2)	O2—S1—C29—F3	−49.4 (6)
C6—Fe1—C4—C5	151.0 (2)	O3—S1—C29—F3	69.0 (6)
C7—Fe1—C4—C5	−24.1 (3)	C30^i—Cl1—C30—Cl1^i	0.0

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