Carbon­yl(η5-cyclo­penta­dien­yl)(isocyano­triphenyl­borato-κC)(triphenyl­phosphine-κP)iron(II)

Nakazawa, H.; Itazaki, M.; Owaribe, M.

doi:10.1107/S1600536805015369

Carbonyl(η⁵-cyclopentadienyl)(isocyanotriphenylborato-κC)(triphenylphosphine-κP)iron(II)

In the title compound, [Fe(C₅H₅)(C₁₉H₁₅BN)(C₁₈H₁₅P)(CO)], the Fe^II atom is coordinated by a carbonyl group, a triphenylphosphine ligand, an isocyanotriphenylborate ligand and a cyclopentadienyl ligand in a piano-stool structure. Two crystallographically independent molecules exist in the asymmetric unit; the Fe—CN, C [triple bond]

N and CN—B bond distances are 1.866 (3), 1.157 (3) and 1.584 (4) Å, respectively, for one molecule, and 1.879 (3), 1.157 (3) and 1.587 (4) Å, respectively, for the other.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805015369/is6076sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805015369/is6076Isup2.hkl Contains datablock I

CCDC reference: 274447

checkCIF report

Key indicators

Single-crystal X-ray study
T = 203 K
Mean (C-C) = 0.005 Å
R factor = 0.070
wR factor = 0.116
Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found



Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.755     0.975
            Tmin' and Tmax expected:      0.888     0.975
            RR' =      0.850
            Please check that your absorption correction is appropriate.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.85
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.08 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.76 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C6      ..       6.31 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C7      ..       7.25 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C49     ..       5.04 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C50     ..       6.96 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C1
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C5
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C16
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      47.00 A   3  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        118
            C7  -FE1 -C6  -O1    -82.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        119
            C1  -FE1 -C6  -O1     41.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        120
            C5  -FE1 -C6  -O1     78.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        121
            C2  -FE1 -C6  -O1     10.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        122
            C4  -FE1 -C6  -O1     88.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        123
            C3  -FE1 -C6  -O1     19.00  7.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        124
            B1  -N1  -C7  -FE1   -26.00  5.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        125
            C6  -FE1 -C7  -N1     73.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        126
            C1  -FE1 -C7  -N1    -16.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        127
            C5  -FE1 -C7  -N1    -52.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        128
            C2  -FE1 -C7  -N1    -40.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        129
            C4  -FE1 -C7  -N1    -98.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        130
            C3  -FE1 -C7  -N1    -79.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        131
            P1  -FE1 -C7  -N1    166.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        273
            C50 -FE2 -C49 -O2     93.00  9.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        274
            C46 -FE2 -C49 -O2    -67.00  9.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        275
            C47 -FE2 -C49 -O2    -29.00  9.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        276
            C48 -FE2 -C49 -O2      1.00  9.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        277
            C44 -FE2 -C49 -O2    -12.00  9.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        278
            C45 -FE2 -C49 -O2    -80.00  9.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        279
            P2  -FE2 -C49 -O2   -173.00  9.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        280
            B2  -N2  -C50 -FE2   -24.00  8.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        281
            C49 -FE2 -C50 -N2    -59.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        282
            C46 -FE2 -C50 -N2     64.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        283
            C47 -FE2 -C50 -N2     32.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        284
            C48 -FE2 -C50 -N2     57.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        285
            C44 -FE2 -C50 -N2     96.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        286
            C45 -FE2 -C50 -N2    115.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        287
            P2  -FE2 -C50 -N2   -149.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        354
            C7  -N1  -B1  -C38   157.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        355
            C7  -N1  -B1  -C26    36.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        356
            C7  -N1  -B1  -C32   -83.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        375
            C50 -N2  -B2  -C75    -4.00  6.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        376
            C50 -N2  -B2  -C69  -125.00  5.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        377
            C50 -N2  -B2  -C81   117.00  5.00   1.555   1.555   1.555   1.555

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  11 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
  35 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 2001); cell refinement: CrystalClear; data reduction: TEXSAN (Molecular Structure Corporation, 2000); program(s) used to solve structure: DIRDIF94 (Beurskens 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.

Carbonyl(η⁵-cyclopentadienyl)(isocyanotriphenylborate- κC)(triphenylphosphine-κP)iron(II) top

Crystal data top

[Fe(C₅H₅)(C₁₉H₁₅BN)(C₁₈H₁₅P)(CO)]	F(000) = 2832.00
M_r = 679.39	D_x = 1.290 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -p 2ybc	Cell parameters from 13416 reflections
a = 15.1206 (6) Å	θ = 4.0–27.5°
b = 18.5827 (8) Å	µ = 0.51 mm⁻¹
c = 24.890 (1) Å	T = 203 K
β = 90.033 (2)°	Prism, yellow
V = 6993.7 (5) Å³	0.23 × 0.08 × 0.05 mm
Z = 8

Data collection top

Rigaku/MSC Mercury CCD area-detector diffractometer	11415 reflections with I > 2σ(I)
Detector resolution: 14.62 pixels mm^-1	R_int = 0.051
ω scans	θ_max = 27.5°
Absorption correction: multi-scan (Jacobson, 1998)	h = −19→14
T_min = 0.755, T_max = 0.975	k = −16→24
54667 measured reflections	l = −29→32
15701 independent reflections

Refinement top

Refinement on F²	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.070	w = 1/[σ²(F_o²) + (0.0137P)² + 4.3115P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.117	(Δ/σ)_max < 0.001
S = 1.16	Δρ_max = 0.31 e Å⁻³
15701 reflections	Δρ_min = −0.28 e Å⁻³
865 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

	x	y	z	U_iso*/U_eq
Fe1	0.76218 (3)	0.34918 (2)	0.178927 (17)	0.03201 (11)
Fe2	0.25740 (3)	0.10748 (2)	0.167348 (16)	0.03077 (11)
P1	0.82561 (5)	0.28729 (4)	0.11285 (3)	0.03285 (18)
P2	0.33941 (5)	0.16154 (4)	0.10501 (3)	0.02934 (17)
O1	0.86933 (18)	0.47635 (15)	0.16166 (13)	0.0763 (9)
O2	0.35418 (15)	−0.02573 (13)	0.15233 (11)	0.0560 (7)
N1	0.88364 (15)	0.29730 (13)	0.26709 (9)	0.0326 (6)
N2	0.37397 (15)	0.14610 (14)	0.26226 (9)	0.0333 (6)
C1	0.6575 (3)	0.4184 (2)	0.1965 (2)	0.0766 (14)
H1	0.6649	0.4636	0.2023	0.077*
C2	0.6640 (2)	0.3671 (3)	0.23700 (16)	0.0603 (11)
H2	0.6771	0.3769	0.2772	0.060*
C3	0.6511 (2)	0.2987 (2)	0.21355 (15)	0.0502 (9)
H3	0.6500	0.2530	0.2274	0.050*
C4	0.6365 (2)	0.3085 (3)	0.15922 (16)	0.0595 (11)
H4	0.6245	0.2623	0.1384	0.059*
C5	0.6405 (2)	0.3826 (3)	0.14818 (19)	0.0768 (15)
H5	0.6350	0.4080	0.1133	0.077*
C6	0.8278 (2)	0.4253 (2)	0.16748 (14)	0.0468 (8)
C7	0.83889 (18)	0.31421 (16)	0.23155 (11)	0.0316 (6)
C8	0.7580 (2)	0.29236 (18)	0.05220 (12)	0.0396 (7)
C9	0.7067 (2)	0.23486 (19)	0.03522 (13)	0.0468 (8)
H6	0.7058	0.1830	0.0567	0.047*
C10	0.6458 (2)	0.2443 (2)	−0.00585 (15)	0.0607 (11)
H7	0.6086	0.2046	−0.0170	0.061*
C11	0.6383 (3)	0.3089 (3)	−0.03171 (15)	0.0710 (13)
H8	0.5959	0.3152	−0.0603	0.071*
C12	0.6897 (3)	0.3661 (3)	−0.01602 (16)	0.0763 (13)
H9	0.6857	0.4115	−0.0352	0.076*
C13	0.7490 (3)	0.3584 (2)	0.02585 (15)	0.0636 (11)
H10	0.7837	0.3997	0.0378	0.064*
C14	0.9358 (2)	0.31652 (17)	0.09184 (12)	0.0383 (7)
C15	0.9612 (2)	0.3217 (2)	0.03851 (14)	0.0637 (11)
H11	0.9175	0.3141	0.0105	0.064*
C16	1.0474 (3)	0.3398 (3)	0.02507 (16)	0.0787 (14)
H12	1.0647	0.3425	−0.0123	0.079*
C17	1.1086 (2)	0.3536 (2)	0.06440 (18)	0.0617 (11)
H13	1.1676	0.3665	0.0547	0.062*
C18	1.0847 (2)	0.34836 (18)	0.11727 (15)	0.0461 (8)
H14	1.1276	0.3581	0.1449	0.046*
C19	0.99918 (19)	0.33003 (17)	0.13141 (12)	0.0378 (7)
H15	0.9831	0.3267	0.1688	0.038*
C20	0.84531 (18)	0.19081 (16)	0.12320 (11)	0.0324 (7)
C21	0.8963 (2)	0.15248 (19)	0.08641 (12)	0.0446 (8)
H16	0.9191	0.1760	0.0548	0.045*
C22	0.9145 (2)	0.08053 (19)	0.09489 (14)	0.0461 (8)
H17	0.9507	0.0546	0.0695	0.046*
C23	0.8819 (2)	0.04516 (18)	0.13930 (14)	0.0449 (8)
H18	0.8943	−0.0054	0.1451	0.045*
C24	0.8311 (2)	0.08281 (18)	0.17524 (13)	0.0446 (8)
H19	0.8078	0.0588	0.2063	0.045*
C25	0.8128 (2)	0.15530 (18)	0.16791 (12)	0.0387 (7)
H20	0.7775	0.1812	0.1937	0.039*
C26	0.9048 (2)	0.33233 (17)	0.36613 (11)	0.0369 (7)
C27	0.8144 (2)	0.3398 (2)	0.37505 (14)	0.0566 (10)
H21	0.7739	0.3179	0.3496	0.057*
C28	0.7815 (3)	0.3775 (3)	0.41888 (18)	0.0833 (16)
H22	0.7183	0.3818	0.4248	0.083*
C29	0.8382 (5)	0.4081 (2)	0.45505 (17)	0.0887 (18)
H23	0.8165	0.4341	0.4855	0.089*
C30	0.9263 (4)	0.4030 (3)	0.44714 (16)	0.0840 (15)
H24	0.9681	0.4246	0.4727	0.084*
C31	0.9597 (3)	0.3660 (2)	0.40318 (14)	0.0558 (10)
H25	1.0227	0.3636	0.3976	0.056*
C32	1.04325 (18)	0.30859 (15)	0.30075 (11)	0.0286 (6)
C33	1.05834 (19)	0.37171 (17)	0.27177 (13)	0.0385 (7)
H26	1.0078	0.3993	0.2598	0.039*
C34	1.1426 (2)	0.39593 (18)	0.25971 (14)	0.0460 (8)
H27	1.1503	0.4395	0.2389	0.046*
C35	1.2152 (2)	0.35761 (19)	0.27659 (13)	0.0429 (8)
H28	1.2737	0.3749	0.2685	0.043*
C36	1.20365 (19)	0.29536 (19)	0.30512 (13)	0.0413 (8)
H29	1.2545	0.2688	0.3171	0.041*
C37	1.11872 (19)	0.27112 (17)	0.31705 (12)	0.0359 (7)
H30	1.1123	0.2270	0.3371	0.036*
C38	0.93920 (17)	0.19809 (16)	0.33149 (12)	0.0324 (7)
C39	0.9234 (2)	0.17156 (19)	0.38304 (13)	0.0485 (9)
H31	0.9116	0.2052	0.4117	0.049*
C40	0.9235 (3)	0.0984 (2)	0.39420 (16)	0.0621 (11)
H32	0.9118	0.0820	0.4305	0.062*
C41	0.9400 (2)	0.0491 (2)	0.35407 (18)	0.0585 (10)
H33	0.9398	−0.0019	0.3620	0.059*
C42	0.9554 (2)	0.07315 (19)	0.30315 (16)	0.0514 (9)
H34	0.9677	0.0393	0.2749	0.051*
C43	0.95473 (19)	0.14621 (17)	0.29179 (13)	0.0390 (7)
H35	0.9645	0.1614	0.2552	0.039*
C44	0.1482 (2)	0.16912 (19)	0.19291 (14)	0.0448 (8)
H36	0.1493	0.2120	0.2080	0.045*
C45	0.14168 (19)	0.1572 (2)	0.13794 (13)	0.0456 (8)
H37	0.1423	0.1930	0.1100	0.046*
C46	0.1383 (2)	0.0830 (2)	0.12905 (15)	0.0549 (10)
H38	0.1318	0.0600	0.0962	0.055*
C47	0.1411 (2)	0.0481 (2)	0.17916 (19)	0.0600 (11)
H39	0.1402	−0.0009	0.1877	0.060*
C48	0.1477 (2)	0.1017 (2)	0.21881 (14)	0.0526 (10)
H40	0.1538	0.0954	0.2543	0.053*
C49	0.31684 (19)	0.02755 (18)	0.15773 (12)	0.0367 (7)
C50	0.33080 (18)	0.13444 (16)	0.22488 (12)	0.0329 (7)
C51	0.29040 (18)	0.15352 (16)	0.03802 (11)	0.0324 (6)
C52	0.2684 (2)	0.08534 (17)	0.01913 (12)	0.0396 (7)
H41	0.2802	0.0441	0.0414	0.040*
C53	0.2297 (2)	0.07632 (19)	−0.03067 (13)	0.0451 (8)
H42	0.2157	0.0284	−0.0433	0.045*
C54	0.2113 (2)	0.1351 (2)	−0.06243 (13)	0.0496 (9)
H43	0.1848	0.1287	−0.0973	0.050*
C55	0.2313 (2)	0.2031 (2)	−0.04402 (13)	0.0504 (9)
H44	0.2181	0.2439	−0.0662	0.050*
C56	0.2707 (2)	0.21263 (17)	0.00595 (13)	0.0407 (8)
H45	0.2848	0.2606	0.0184	0.041*
C57	0.36432 (19)	0.25720 (16)	0.11082 (11)	0.0332 (7)
C58	0.4278 (2)	0.28845 (18)	0.07741 (13)	0.0410 (8)
H46	0.4611	0.2583	0.0532	0.041*
C59	0.4435 (2)	0.36170 (19)	0.07932 (14)	0.0470 (8)
H47	0.4878	0.3830	0.0565	0.047*
C60	0.3960 (2)	0.40438 (19)	0.11374 (15)	0.0518 (9)
H48	0.4061	0.4557	0.1150	0.052*
C61	0.3334 (2)	0.37471 (19)	0.14709 (15)	0.0513 (9)
H49	0.3006	0.4050	0.1713	0.051*
C62	0.3179 (2)	0.30114 (17)	0.14581 (13)	0.0406 (8)
H50	0.2745	0.2803	0.1695	0.041*
C63	0.45062 (18)	0.12384 (16)	0.09768 (12)	0.0323 (6)
C64	0.4818 (2)	0.09284 (19)	0.05070 (13)	0.0458 (8)
H51	0.4439	0.0904	0.0193	0.046*
C65	0.5670 (2)	0.0646 (2)	0.04868 (16)	0.0587 (10)
H52	0.5887	0.0437	0.0154	0.059*
C66	0.6210 (2)	0.06739 (19)	0.09285 (17)	0.0545 (10)
H53	0.6795	0.0465	0.0916	0.055*
C67	0.5913 (2)	0.09852 (19)	0.13926 (14)	0.0475 (9)
H54	0.6302	0.1017	0.1702	0.047*
C68	0.5068 (2)	0.12639 (18)	0.14181 (12)	0.0402 (8)
H55	0.4858	0.1482	0.1747	0.040*
C69	0.43365 (18)	0.24579 (17)	0.32460 (13)	0.0358 (7)
C70	0.4500 (2)	0.29261 (19)	0.28193 (15)	0.0475 (9)
H56	0.4536	0.2724	0.2460	0.047*
C71	0.4611 (2)	0.3660 (2)	0.2888 (2)	0.0703 (13)
H57	0.4717	0.3964	0.2582	0.070*
C72	0.4555 (3)	0.3954 (2)	0.3391 (3)	0.0840 (16)
H58	0.4644	0.4469	0.3438	0.084*
C73	0.4393 (3)	0.3513 (3)	0.3825 (2)	0.0784 (14)
H59	0.4357	0.3725	0.4180	0.078*
C74	0.4286 (2)	0.27713 (19)	0.37539 (15)	0.0509 (9)
H60	0.4167	0.2467	0.4068	0.051*
C75	0.3792 (2)	0.11810 (16)	0.36367 (12)	0.0363 (7)
C76	0.4251 (2)	0.0841 (2)	0.40560 (13)	0.0522 (9)
H61	0.4891	0.0809	0.4033	0.052*
C77	0.3820 (3)	0.0544 (2)	0.44942 (15)	0.0703 (12)
H62	0.4169	0.0309	0.4774	0.070*
C78	0.2917 (3)	0.0575 (2)	0.45357 (16)	0.0717 (13)
H63	0.2614	0.0380	0.4843	0.072*
C79	0.2438 (3)	0.0886 (2)	0.41275 (17)	0.0608 (11)
H64	0.1792	0.0896	0.4141	0.061*
C80	0.2870 (2)	0.11826 (19)	0.36854 (13)	0.0457 (8)
H65	0.2526	0.1402	0.3400	0.046*
C81	0.52894 (18)	0.12832 (16)	0.30529 (11)	0.0304 (6)
C82	0.5455 (2)	0.06248 (17)	0.27985 (13)	0.0405 (8)
H66	0.4961	0.0362	0.2651	0.041*
C83	0.6296 (2)	0.03364 (19)	0.27583 (13)	0.0484 (9)
H67	0.6388	−0.0114	0.2569	0.048*
C84	0.7006 (2)	0.0693 (2)	0.29793 (13)	0.0491 (9)
H68	0.7590	0.0485	0.2968	0.049*
C85	0.6879 (2)	0.1345 (2)	0.32194 (14)	0.0500 (9)
H69	0.7383	0.1604	0.3370	0.050*
C86	0.6033 (2)	0.16402 (18)	0.32505 (12)	0.0392 (7)
H70	0.5944	0.2105	0.3417	0.039*
B1	0.9442 (2)	0.28296 (19)	0.31791 (13)	0.0296 (7)
B2	0.4298 (2)	0.15940 (19)	0.31534 (13)	0.0310 (7)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Fe1	0.0283 (2)	0.0343 (2)	0.0335 (2)	0.00168 (18)	−0.00283 (17)	0.0017 (2)
Fe2	0.0275 (2)	0.0351 (2)	0.0297 (2)	−0.00235 (18)	−0.00100 (16)	−0.00177 (19)
P1	0.0352 (4)	0.0357 (5)	0.0276 (4)	−0.0030 (3)	−0.0024 (3)	0.0029 (3)
P2	0.0308 (4)	0.0305 (4)	0.0267 (4)	−0.0002 (3)	−0.0017 (3)	−0.0022 (3)
O1	0.0611 (17)	0.0466 (17)	0.121 (3)	−0.0088 (14)	0.0039 (17)	0.0034 (17)
O2	0.0500 (14)	0.0347 (14)	0.0833 (19)	0.0076 (11)	0.0006 (13)	0.0068 (13)
N1	0.0285 (12)	0.0377 (15)	0.0316 (13)	0.0020 (11)	−0.0007 (10)	−0.0004 (11)
N2	0.0312 (12)	0.0394 (15)	0.0292 (13)	−0.0011 (11)	−0.0001 (10)	−0.0013 (12)
C1	0.042 (2)	0.046 (3)	0.142 (5)	0.0132 (18)	0.008 (3)	−0.004 (3)
C2	0.0370 (19)	0.085 (3)	0.059 (2)	0.0130 (19)	0.0056 (17)	−0.021 (2)
C3	0.0374 (18)	0.054 (2)	0.059 (2)	0.0057 (16)	0.0104 (16)	0.0179 (19)
C4	0.0328 (18)	0.088 (3)	0.057 (2)	−0.0140 (19)	0.0014 (16)	−0.015 (2)
C5	0.034 (2)	0.114 (4)	0.083 (3)	0.010 (2)	−0.007 (2)	0.051 (3)
C6	0.0362 (18)	0.043 (2)	0.062 (2)	0.0048 (15)	−0.0024 (16)	0.0008 (18)
C7	0.0284 (14)	0.0333 (17)	0.0331 (16)	−0.0005 (12)	0.0059 (12)	−0.0051 (13)
C8	0.0431 (17)	0.046 (2)	0.0293 (16)	−0.0011 (15)	−0.0020 (13)	0.0029 (15)
C9	0.049 (2)	0.053 (2)	0.0385 (18)	−0.0022 (16)	−0.0086 (15)	−0.0049 (16)
C10	0.061 (2)	0.073 (3)	0.048 (2)	−0.001 (2)	−0.0210 (18)	−0.010 (2)
C11	0.080 (3)	0.094 (4)	0.039 (2)	0.018 (3)	−0.024 (2)	−0.003 (2)
C12	0.106 (4)	0.073 (3)	0.050 (2)	0.011 (3)	−0.025 (2)	0.019 (2)
C13	0.085 (3)	0.056 (3)	0.049 (2)	−0.009 (2)	−0.022 (2)	0.016 (2)
C14	0.0426 (17)	0.0380 (19)	0.0342 (16)	−0.0012 (14)	0.0042 (13)	0.0029 (14)
C15	0.060 (2)	0.093 (3)	0.039 (2)	−0.019 (2)	0.0053 (17)	0.006 (2)
C16	0.068 (3)	0.115 (4)	0.053 (2)	−0.020 (3)	0.023 (2)	0.013 (3)
C17	0.045 (2)	0.060 (3)	0.080 (3)	−0.0066 (18)	0.024 (2)	0.004 (2)
C18	0.0344 (17)	0.0365 (19)	0.068 (2)	0.0014 (14)	0.0049 (16)	−0.0044 (17)
C19	0.0353 (16)	0.0365 (18)	0.0417 (18)	0.0029 (13)	0.0043 (13)	−0.0006 (14)
C20	0.0328 (15)	0.0333 (17)	0.0310 (15)	0.0003 (12)	−0.0062 (12)	0.0000 (13)
C21	0.054 (2)	0.045 (2)	0.0343 (17)	0.0007 (16)	0.0061 (15)	−0.0011 (16)
C22	0.0480 (19)	0.045 (2)	0.046 (2)	0.0074 (16)	0.0018 (15)	−0.0086 (17)
C23	0.052 (2)	0.0365 (19)	0.046 (2)	0.0046 (15)	−0.0144 (16)	−0.0024 (16)
C24	0.057 (2)	0.0361 (19)	0.0404 (19)	0.0008 (16)	0.0008 (16)	0.0053 (15)
C25	0.0436 (17)	0.0385 (19)	0.0340 (17)	0.0003 (14)	0.0018 (13)	0.0006 (15)
C26	0.0516 (19)	0.0317 (17)	0.0275 (15)	0.0049 (14)	0.0054 (13)	0.0055 (13)
C27	0.055 (2)	0.072 (3)	0.043 (2)	0.0247 (19)	0.0123 (16)	0.0071 (19)
C28	0.100 (3)	0.097 (4)	0.053 (3)	0.063 (3)	0.034 (2)	0.028 (3)
C29	0.172 (6)	0.053 (3)	0.040 (2)	0.045 (3)	0.041 (3)	0.005 (2)
C30	0.151 (5)	0.060 (3)	0.041 (2)	−0.018 (3)	0.018 (3)	−0.018 (2)
C31	0.076 (3)	0.056 (2)	0.0356 (19)	−0.012 (2)	0.0087 (17)	−0.0122 (17)
C32	0.0321 (14)	0.0289 (16)	0.0248 (14)	0.0027 (12)	−0.0021 (11)	−0.0078 (12)
C33	0.0358 (16)	0.0331 (18)	0.0467 (19)	0.0017 (13)	−0.0039 (14)	−0.0013 (15)
C34	0.0487 (19)	0.0352 (19)	0.054 (2)	−0.0112 (15)	−0.0003 (16)	0.0025 (16)
C35	0.0328 (16)	0.053 (2)	0.0431 (18)	−0.0103 (15)	0.0007 (13)	−0.0068 (17)
C36	0.0289 (15)	0.053 (2)	0.0423 (18)	0.0055 (14)	−0.0020 (13)	−0.0042 (16)
C37	0.0351 (16)	0.0409 (19)	0.0317 (16)	0.0030 (13)	−0.0020 (12)	0.0000 (14)
C38	0.0260 (14)	0.0338 (17)	0.0375 (16)	0.0019 (12)	−0.0035 (12)	−0.0006 (14)
C39	0.065 (2)	0.042 (2)	0.0387 (19)	−0.0001 (17)	−0.0016 (16)	0.0042 (16)
C40	0.084 (3)	0.047 (2)	0.055 (2)	−0.003 (2)	0.000 (2)	0.017 (2)
C41	0.054 (2)	0.034 (2)	0.088 (3)	−0.0012 (17)	−0.003 (2)	0.012 (2)
C42	0.0423 (19)	0.036 (2)	0.076 (3)	0.0010 (15)	0.0004 (18)	−0.0115 (19)
C43	0.0337 (16)	0.0346 (18)	0.0487 (19)	0.0006 (13)	0.0009 (13)	−0.0024 (16)
C44	0.0321 (16)	0.053 (2)	0.049 (2)	0.0034 (15)	0.0053 (14)	−0.0186 (18)
C45	0.0306 (16)	0.061 (2)	0.0449 (19)	0.0094 (15)	−0.0016 (14)	−0.0007 (18)
C46	0.0286 (17)	0.075 (3)	0.061 (2)	−0.0035 (17)	−0.0074 (16)	−0.026 (2)
C47	0.0305 (18)	0.043 (2)	0.106 (3)	−0.0116 (15)	0.0085 (19)	0.002 (2)
C48	0.0299 (17)	0.083 (3)	0.045 (2)	−0.0021 (17)	0.0060 (14)	0.010 (2)
C49	0.0327 (16)	0.0393 (19)	0.0381 (17)	−0.0050 (14)	−0.0034 (13)	0.0042 (15)
C50	0.0335 (15)	0.0340 (17)	0.0313 (16)	−0.0015 (12)	0.0054 (12)	0.0036 (13)
C51	0.0317 (15)	0.0365 (18)	0.0289 (15)	0.0000 (13)	−0.0027 (12)	−0.0013 (13)
C52	0.0496 (19)	0.0362 (18)	0.0330 (17)	−0.0027 (14)	−0.0077 (14)	0.0020 (14)
C53	0.054 (2)	0.046 (2)	0.0350 (18)	−0.0075 (16)	−0.0090 (15)	−0.0069 (16)
C54	0.054 (2)	0.061 (2)	0.0330 (18)	−0.0042 (18)	−0.0133 (15)	0.0008 (17)
C55	0.061 (2)	0.051 (2)	0.0393 (19)	0.0051 (18)	−0.0133 (16)	0.0107 (17)
C56	0.0475 (18)	0.0352 (18)	0.0393 (18)	0.0026 (14)	−0.0068 (14)	−0.0013 (15)
C57	0.0356 (16)	0.0322 (17)	0.0318 (16)	−0.0028 (13)	−0.0062 (12)	−0.0018 (13)
C58	0.0441 (18)	0.0378 (19)	0.0410 (18)	−0.0033 (14)	0.0041 (14)	0.0024 (15)
C59	0.0479 (19)	0.044 (2)	0.049 (2)	−0.0081 (16)	−0.0007 (16)	0.0103 (17)
C60	0.064 (2)	0.033 (2)	0.059 (2)	−0.0080 (17)	−0.0056 (18)	−0.0002 (17)
C61	0.063 (2)	0.035 (2)	0.055 (2)	−0.0007 (16)	0.0076 (18)	−0.0128 (17)
C62	0.0429 (18)	0.0343 (18)	0.0447 (19)	−0.0052 (14)	0.0048 (14)	−0.0095 (15)
C63	0.0338 (15)	0.0280 (16)	0.0351 (16)	−0.0006 (12)	0.0034 (12)	0.0012 (13)
C64	0.0413 (18)	0.051 (2)	0.0454 (19)	0.0044 (15)	−0.0018 (15)	−0.0151 (17)
C65	0.047 (2)	0.060 (3)	0.069 (3)	0.0076 (18)	0.0102 (19)	−0.029 (2)
C66	0.0366 (18)	0.041 (2)	0.086 (3)	0.0075 (15)	0.0029 (18)	−0.001 (2)
C67	0.0327 (17)	0.053 (2)	0.057 (2)	−0.0005 (15)	−0.0019 (15)	0.0123 (18)
C68	0.0363 (16)	0.049 (2)	0.0349 (17)	−0.0002 (14)	0.0013 (13)	0.0021 (15)
C69	0.0232 (14)	0.0352 (18)	0.0489 (19)	0.0010 (12)	0.0012 (13)	−0.0052 (15)
C70	0.0323 (17)	0.037 (2)	0.073 (2)	0.0016 (14)	0.0121 (16)	0.0019 (18)
C71	0.041 (2)	0.037 (2)	0.133 (4)	0.0019 (16)	0.021 (2)	0.013 (3)
C72	0.049 (2)	0.040 (3)	0.163 (5)	−0.0015 (19)	0.011 (3)	−0.021 (3)
C73	0.061 (3)	0.066 (3)	0.108 (4)	0.002 (2)	0.000 (2)	−0.053 (3)
C74	0.046 (2)	0.046 (2)	0.061 (2)	−0.0009 (16)	−0.0013 (17)	−0.0212 (18)
C75	0.0471 (18)	0.0306 (17)	0.0312 (16)	−0.0076 (14)	0.0037 (13)	−0.0090 (13)
C76	0.065 (2)	0.060 (2)	0.0317 (18)	−0.0117 (19)	−0.0017 (16)	0.0027 (17)
C77	0.102 (3)	0.072 (3)	0.037 (2)	−0.017 (3)	0.002 (2)	0.008 (2)
C78	0.107 (4)	0.060 (3)	0.048 (2)	−0.022 (3)	0.034 (2)	0.001 (2)
C79	0.065 (2)	0.049 (2)	0.068 (3)	−0.0121 (19)	0.030 (2)	−0.009 (2)
C80	0.0482 (19)	0.045 (2)	0.0440 (19)	−0.0036 (16)	0.0133 (15)	−0.0040 (17)
C81	0.0338 (15)	0.0339 (17)	0.0236 (14)	0.0003 (12)	−0.0007 (11)	0.0029 (12)
C82	0.0433 (18)	0.0371 (19)	0.0412 (18)	0.0018 (14)	−0.0037 (14)	−0.0019 (15)
C83	0.058 (2)	0.042 (2)	0.046 (2)	0.0181 (17)	−0.0023 (16)	−0.0043 (16)
C84	0.0411 (19)	0.065 (3)	0.0412 (19)	0.0184 (17)	−0.0002 (15)	0.0087 (18)
C85	0.0349 (17)	0.064 (3)	0.052 (2)	−0.0018 (16)	−0.0048 (15)	0.0009 (19)
C86	0.0362 (16)	0.042 (2)	0.0389 (17)	−0.0004 (14)	−0.0026 (13)	−0.0064 (15)
B1	0.0300 (16)	0.0330 (19)	0.0257 (16)	0.0040 (14)	−0.0034 (13)	−0.0020 (14)
B2	0.0331 (17)	0.0313 (19)	0.0286 (17)	−0.0027 (14)	−0.0038 (13)	−0.0033 (15)

Geometric parameters (Å, º) top

Fe1—C1	2.086 (4)	C36—H29	0.960
Fe1—C2	2.099 (4)	C37—H30	0.965
Fe1—C3	2.108 (3)	C38—C39	1.395 (4)
Fe1—C4	2.103 (3)	C38—C43	1.400 (4)
Fe1—C5	2.087 (3)	C38—B1	1.615 (4)
Fe1—C6	1.750 (4)	C39—C40	1.388 (5)
Fe1—C7	1.866 (3)	C39—H31	0.965
Fe1—P1	2.2248 (9)	C40—C41	1.378 (5)
Fe2—C44	2.108 (3)	C40—H32	0.969
Fe2—C45	2.109 (3)	C41—C42	1.364 (5)
Fe2—C46	2.087 (3)	C41—H33	0.967
Fe2—C47	2.097 (3)	C42—C43	1.387 (5)
Fe2—C48	2.099 (3)	C42—H34	0.961
Fe2—C49	1.752 (3)	C43—H35	0.966
Fe2—C50	1.879 (3)	C44—C45	1.390 (4)
Fe2—P2	2.2264 (9)	C44—C48	1.409 (5)
P1—C8	1.825 (3)	C44—H36	0.882
P1—C14	1.829 (3)	C45—C46	1.396 (5)
P1—C20	1.836 (3)	C45—H37	0.963
P2—C57	1.823 (3)	C46—C47	1.407 (5)
P2—C51	1.830 (3)	C46—H38	0.928
P2—C63	1.831 (3)	C47—C48	1.406 (5)
O1—C6	1.148 (4)	C47—H39	0.935
O2—C49	1.148 (4)	C48—H40	0.895
N1—C7	1.157 (3)	C51—C56	1.390 (4)
N1—B1	1.584 (4)	C51—C52	1.392 (4)
N2—C50	1.157 (3)	C52—C53	1.381 (4)
N2—B2	1.587 (4)	C52—H41	0.962
C1—C2	1.390 (6)	C53—C54	1.377 (5)
C1—C5	1.399 (6)	C53—H42	0.967
C1—H1	0.859	C54—C55	1.377 (5)
C2—C3	1.413 (5)	C54—H43	0.962
C2—H2	1.037	C55—C56	1.390 (4)
C3—C4	1.382 (5)	C55—H44	0.959
C3—H3	0.916	C56—H45	0.967
C4—C5	1.405 (6)	C57—C62	1.385 (4)
C4—H4	1.019	C57—C58	1.397 (4)
C5—H5	0.991	C58—C59	1.382 (4)
C8—C9	1.387 (4)	C58—H46	0.965
C8—C13	1.399 (5)	C59—C60	1.371 (5)
C9—C10	1.386 (4)	C59—H47	0.964
C9—H6	1.102	C60—C61	1.374 (5)
C10—C11	1.367 (6)	C60—H48	0.966
C10—H7	0.969	C61—C62	1.388 (4)
C11—C12	1.373 (6)	C61—H49	0.963
C11—H8	0.965	C62—H50	0.965
C12—C13	1.382 (5)	C63—C64	1.386 (4)
C12—H9	0.971	C63—C68	1.389 (4)
C13—H10	0.977	C64—C65	1.393 (4)
C14—C15	1.386 (4)	C64—H51	0.969
C14—C19	1.396 (4)	C65—C66	1.370 (5)
C15—C16	1.386 (5)	C65—H52	0.972
C15—H11	0.972	C66—C67	1.368 (5)
C16—C17	1.371 (6)	C66—H53	0.966
C16—H12	0.967	C67—C68	1.381 (4)
C17—C18	1.368 (5)	C67—H54	0.971
C17—H13	0.955	C68—H55	0.967
C18—C19	1.383 (4)	C69—C74	1.394 (4)
C18—H14	0.963	C69—C70	1.395 (4)
C19—H15	0.964	C69—B2	1.623 (5)
C20—C25	1.384 (4)	C70—C71	1.385 (5)
C20—C21	1.394 (4)	C70—H56	0.971
C21—C22	1.381 (5)	C71—C72	1.368 (7)
C21—H16	0.964	C71—H57	0.962
C22—C23	1.378 (5)	C72—C73	1.379 (7)
C22—H17	0.964	C72—H58	0.973
C23—C24	1.372 (4)	C73—C74	1.400 (5)
C23—H18	0.968	C73—H59	0.967
C24—C25	1.387 (4)	C74—H60	0.981
C24—H19	0.960	C75—C80	1.398 (4)
C25—H20	0.963	C75—C76	1.404 (4)
C26—C31	1.389 (4)	C75—B2	1.620 (4)
C26—C27	1.392 (4)	C76—C77	1.385 (5)
C26—B1	1.625 (4)	C76—H61	0.971
C27—C28	1.389 (5)	C77—C78	1.371 (6)
C27—H21	0.970	C77—H62	0.977
C28—C29	1.367 (7)	C78—C79	1.375 (6)
C28—H22	0.970	C78—H63	0.963
C29—C30	1.351 (7)	C79—C80	1.395 (5)
C29—H23	0.957	C79—H64	0.977
C30—C31	1.388 (5)	C80—H65	0.970
C30—H24	0.982	C81—C86	1.394 (4)
C31—H25	0.964	C81—C82	1.400 (4)
C32—C33	1.396 (4)	C81—B2	1.625 (4)
C32—C37	1.397 (4)	C82—C83	1.384 (4)
C32—B1	1.628 (4)	C82—H66	0.965
C33—C34	1.384 (4)	C83—C84	1.376 (5)
C33—H26	0.968	C83—H67	0.970
C34—C35	1.374 (4)	C84—C85	1.364 (5)
C34—H27	0.968	C84—H68	0.964
C35—C36	1.369 (5)	C85—C86	1.394 (4)
C35—H28	0.962	C85—H69	0.977
C36—C37	1.393 (4)	C86—H70	0.968

O1···C41ⁱ	3.208 (5)	C10···C28^iv	3.584 (6)
O1···C79ⁱⁱ	3.271 (5)	C21···C29^iv	3.568 (5)
O1···C42ⁱ	3.320 (4)	C22···C46^v	3.489 (4)
O2···C72ⁱⁱⁱ	3.236 (5)	C36···C54^vi	3.543 (5)
O2···C28ⁱⁱⁱ	3.252 (5)	C43···C48^v	3.536 (4)
O2···C2ⁱⁱⁱ	3.410 (5)	C61···C83ⁱⁱ	3.566 (5)

C6—Fe1—C7	92.49 (14)	C35—C34—H27	120.1
C6—Fe1—C1	88.06 (16)	C33—C34—H27	119.9
C7—Fe1—C1	122.60 (19)	C36—C35—C34	119.7 (3)
C6—Fe1—C5	101.52 (18)	C36—C35—H28	120.5
C7—Fe1—C5	155.32 (15)	C34—C35—H28	119.9
C1—Fe1—C5	39.17 (18)	C35—C36—C37	120.1 (3)
C6—Fe1—C2	112.64 (17)	C35—C36—H29	119.5
C7—Fe1—C2	90.67 (14)	C37—C36—H29	120.4
C1—Fe1—C2	38.80 (17)	C36—C37—C32	122.0 (3)
C5—Fe1—C2	65.25 (16)	C36—C37—H30	118.5
C6—Fe1—C4	139.86 (17)	C32—C37—H30	119.4
C7—Fe1—C4	126.85 (16)	C39—C38—C43	115.8 (3)
C1—Fe1—C4	65.49 (17)	C39—C38—B1	123.1 (3)
C5—Fe1—C4	39.19 (17)	C43—C38—B1	121.1 (3)
C2—Fe1—C4	65.06 (14)	C40—C39—C38	122.0 (3)
C6—Fe1—C3	151.35 (16)	C40—C39—H31	119.2
C7—Fe1—C3	93.04 (13)	C38—C39—H31	118.8
C1—Fe1—C3	65.43 (16)	C41—C40—C39	120.4 (3)
C5—Fe1—C3	65.16 (15)	C41—C40—H32	120.0
C2—Fe1—C3	39.23 (15)	C39—C40—H32	119.6
C4—Fe1—C3	38.32 (14)	C42—C41—C40	119.1 (3)
C6—Fe1—P1	93.02 (12)	C42—C41—H33	120.7
C7—Fe1—P1	94.06 (9)	C40—C41—H33	120.1
C1—Fe1—P1	143.26 (17)	C41—C42—C43	120.6 (3)
C5—Fe1—P1	105.25 (16)	C41—C42—H34	119.9
C2—Fe1—P1	153.69 (12)	C43—C42—H34	119.5
C4—Fe1—P1	91.81 (11)	C42—C43—C38	122.1 (3)
C3—Fe1—P1	114.57 (11)	C42—C43—H35	118.5
C49—Fe2—C50	91.57 (13)	C38—C43—H35	119.4
C49—Fe2—C46	101.27 (15)	C45—C44—C48	107.9 (3)
C50—Fe2—C46	156.23 (13)	C45—C44—Fe2	70.79 (18)
C49—Fe2—C47	90.17 (14)	C48—C44—Fe2	70.07 (19)
C50—Fe2—C47	121.90 (16)	C45—C44—H36	124.5
C46—Fe2—C47	39.30 (15)	C48—C44—H36	127.5
C49—Fe2—C48	116.47 (15)	Fe2—C44—H36	127.2
C50—Fe2—C48	90.86 (13)	C44—C45—C46	108.5 (3)
C46—Fe2—C48	65.54 (14)	C44—C45—Fe2	70.74 (18)
C47—Fe2—C48	39.17 (15)	C46—C45—Fe2	69.70 (19)
C49—Fe2—C44	154.62 (14)	C44—C45—H37	126.8
C50—Fe2—C44	95.02 (12)	C46—C45—H37	124.6
C46—Fe2—C44	65.19 (13)	Fe2—C45—H37	123.0
C47—Fe2—C44	65.60 (14)	C45—C46—C47	108.3 (3)
C48—Fe2—C44	39.12 (14)	C45—C46—Fe2	71.44 (18)
C49—Fe2—C45	138.50 (14)	C47—C46—Fe2	70.74 (19)
C50—Fe2—C45	129.58 (13)	C45—C46—H38	126.7
C46—Fe2—C45	38.86 (14)	C47—C46—H38	124.9
C47—Fe2—C45	65.39 (15)	Fe2—C46—H38	126.5
C48—Fe2—C45	65.07 (13)	C48—C47—C46	107.3 (3)
C44—Fe2—C45	38.47 (12)	C48—C47—Fe2	70.48 (19)
C49—Fe2—P2	90.08 (10)	C46—C47—Fe2	69.95 (19)
C50—Fe2—P2	94.70 (9)	C48—C47—H39	122.1
C46—Fe2—P2	105.10 (12)	C46—C47—H39	130.6
C47—Fe2—P2	143.38 (13)	Fe2—C47—H39	123.9
C48—Fe2—P2	152.74 (12)	C47—C48—C44	108.0 (3)
C44—Fe2—P2	113.69 (11)	C47—C48—Fe2	70.34 (19)
C45—Fe2—P2	91.31 (10)	C44—C48—Fe2	70.81 (18)
C8—P1—C14	104.95 (14)	C47—C48—H40	127.3
C8—P1—C20	104.91 (14)	C44—C48—H40	124.6
C14—P1—C20	100.50 (14)	Fe2—C48—H40	121.9
C8—P1—Fe1	110.09 (11)	O2—C49—Fe2	178.1 (3)
C14—P1—Fe1	116.80 (11)	Fe2—C50—N2	174.6 (3)
C20—P1—Fe1	118.12 (10)	C56—C51—C52	118.3 (3)
C57—P2—C51	103.61 (13)	C56—C51—P2	123.0 (2)
C57—P2—C63	101.03 (13)	C52—C51—P2	118.6 (2)
C51—P2—C63	104.45 (13)	C53—C52—C51	121.0 (3)
C57—P2—Fe2	119.99 (10)	C53—C52—H41	119.9
C51—P2—Fe2	111.89 (10)	C51—C52—H41	119.2
C63—P2—Fe2	114.12 (10)	C54—C53—C52	120.3 (3)
C7—N1—B1	173.8 (3)	C54—C53—H42	120.0
C50—N2—B2	177.0 (3)	C52—C53—H42	119.7
C2—C1—C5	108.1 (4)	C55—C54—C53	119.5 (3)
C2—C1—Fe1	71.1 (2)	C55—C54—H43	120.4
C5—C1—Fe1	70.4 (2)	C53—C54—H43	120.1
C2—C1—H1	122.6	C54—C55—C56	120.6 (3)
C5—C1—H1	129.3	C54—C55—H44	119.2
Fe1—C1—H1	122.7	C56—C55—H44	120.2
C1—C2—C3	107.9 (4)	C51—C56—C55	120.3 (3)
C1—C2—Fe1	70.1 (2)	C51—C56—H45	119.8
C3—C2—Fe1	70.7 (2)	C55—C56—H45	119.9
C1—C2—H2	126.3	C62—C57—C58	118.6 (3)
C3—C2—H2	125.7	C62—C57—P2	121.3 (2)
Fe1—C2—H2	123.9	C58—C57—P2	120.0 (2)
C4—C3—C2	107.9 (3)	C59—C58—C57	120.4 (3)
C4—C3—Fe1	70.6 (2)	C59—C58—H46	120.3
C2—C3—Fe1	70.1 (2)	C57—C58—H46	119.3
C4—C3—H3	119.2	C60—C59—C58	120.1 (3)
C2—C3—H3	132.8	C60—C59—H47	119.7
Fe1—C3—H3	125.5	C58—C59—H47	120.2
C3—C4—C5	108.3 (4)	C59—C60—C61	120.4 (3)
C3—C4—Fe1	71.0 (2)	C59—C60—H48	120.5
C5—C4—Fe1	69.8 (2)	C61—C60—H48	119.1
C3—C4—H4	114.6	C60—C61—C62	119.9 (3)
C5—C4—H4	137.1	C60—C61—H49	119.9
Fe1—C4—H4	125.6	C62—C61—H49	120.3
C1—C5—C4	107.8 (4)	C57—C62—C61	120.6 (3)
C1—C5—Fe1	70.4 (2)	C57—C62—H50	119.6
C4—C5—Fe1	71.0 (2)	C61—C62—H50	119.8
C1—C5—H5	122.8	C64—C63—C68	118.2 (3)
C4—C5—H5	129.3	C64—C63—P2	123.8 (2)
Fe1—C5—H5	122.4	C68—C63—P2	118.0 (2)
O1—C6—Fe1	177.4 (3)	C63—C64—C65	120.1 (3)
Fe1—C7—N1	173.9 (3)	C63—C64—H51	119.9
C9—C8—C13	118.6 (3)	C65—C64—H51	120.0
C9—C8—P1	121.7 (3)	C66—C65—C64	120.5 (3)
C13—C8—P1	119.2 (3)	C66—C65—H52	119.9
C10—C9—C8	119.9 (3)	C64—C65—H52	119.6
C10—C9—H6	117.4	C67—C66—C65	119.9 (3)
C8—C9—H6	122.2	C67—C66—H53	119.9
C11—C10—C9	120.9 (4)	C65—C66—H53	120.2
C11—C10—H7	119.0	C66—C67—C68	120.1 (3)
C9—C10—H7	120.1	C66—C67—H54	119.9
C10—C11—C12	119.9 (3)	C68—C67—H54	120.0
C10—C11—H8	120.6	C67—C68—C63	121.1 (3)
C12—C11—H8	119.4	C67—C68—H55	120.0
C11—C12—C13	120.1 (4)	C63—C68—H55	118.9
C11—C12—H9	119.8	C74—C69—C70	116.1 (3)
C13—C12—H9	120.0	C74—C69—B2	122.7 (3)
C12—C13—C8	120.5 (4)	C70—C69—B2	121.0 (3)
C12—C13—H10	119.9	C71—C70—C69	122.8 (4)
C8—C13—H10	119.6	C71—C70—H56	119.2
C15—C14—C19	118.2 (3)	C69—C70—H56	118.0
C15—C14—P1	123.2 (3)	C72—C71—C70	119.9 (4)
C19—C14—P1	118.5 (2)	C72—C71—H57	120.1
C14—C15—C16	120.6 (3)	C70—C71—H57	120.0
C14—C15—H11	119.3	C71—C72—C73	119.5 (4)
C16—C15—H11	120.1	C71—C72—H58	119.6
C17—C16—C15	120.5 (4)	C73—C72—H58	120.9
C17—C16—H12	119.6	C72—C73—C74	120.4 (4)
C15—C16—H12	120.0	C72—C73—H59	118.9
C18—C17—C16	119.7 (3)	C74—C73—H59	120.7
C18—C17—H13	120.6	C69—C74—C73	121.4 (4)
C16—C17—H13	119.7	C69—C74—H60	119.4
C17—C18—C19	120.6 (3)	C73—C74—H60	119.2
C17—C18—H14	119.8	C80—C75—C76	115.4 (3)
C19—C18—H14	119.6	C80—C75—B2	122.4 (3)
C18—C19—C14	120.4 (3)	C76—C75—B2	122.1 (3)
C18—C19—H15	119.8	C77—C76—C75	122.1 (4)
C14—C19—H15	119.7	C77—C76—H61	119.4
C25—C20—C21	118.8 (3)	C75—C76—H61	118.5
C25—C20—P1	121.4 (2)	C78—C77—C76	120.8 (4)
C21—C20—P1	119.8 (2)	C78—C77—H62	120.2
C22—C21—C20	120.3 (3)	C76—C77—H62	118.9
C22—C21—H16	119.5	C77—C78—C79	119.1 (4)
C20—C21—H16	120.2	C77—C78—H63	121.3
C23—C22—C21	120.9 (3)	C79—C78—H63	119.6
C23—C22—H17	119.3	C78—C79—C80	120.1 (4)
C21—C22—H17	119.8	C78—C79—H64	120.6
C24—C23—C22	118.8 (3)	C80—C79—H64	119.3
C24—C23—H18	120.4	C79—C80—C75	122.4 (3)
C22—C23—H18	120.8	C79—C80—H65	119.4
C23—C24—C25	121.4 (3)	C75—C80—H65	118.2
C23—C24—H19	119.7	C86—C81—C82	115.5 (3)
C25—C24—H19	118.9	C86—C81—B2	121.3 (3)
C20—C25—C24	119.9 (3)	C82—C81—B2	123.0 (3)
C20—C25—H20	119.6	C83—C82—C81	122.4 (3)
C24—C25—H20	120.5	C83—C82—H66	119.2
C31—C26—C27	115.8 (3)	C81—C82—H66	118.4
C31—C26—B1	121.7 (3)	C84—C83—C82	120.1 (3)
C27—C26—B1	122.4 (3)	C84—C83—H67	119.9
C28—C27—C26	121.9 (4)	C82—C83—H67	120.0
C28—C27—H21	119.9	C85—C84—C83	119.5 (3)
C26—C27—H21	118.2	C85—C84—H68	119.9
C29—C28—C27	120.1 (4)	C83—C84—H68	120.6
C29—C28—H22	118.9	C84—C85—C86	120.3 (3)
C27—C28—H22	120.9	C84—C85—H69	119.7
C30—C29—C28	119.6 (4)	C86—C85—H69	120.0
C30—C29—H23	119.2	C85—C86—C81	122.2 (3)
C28—C29—H23	121.1	C85—C86—H70	120.1
C29—C30—C31	120.6 (4)	C81—C86—H70	117.7
C29—C30—H24	120.7	N1—B1—C38	107.7 (2)
C31—C30—H24	118.7	N1—B1—C26	106.4 (2)
C30—C31—C26	122.0 (4)	C38—B1—C26	112.3 (2)
C30—C31—H25	119.8	N1—B1—C32	105.8 (2)
C26—C31—H25	118.3	C38—B1—C32	112.6 (2)
C33—C32—C37	115.8 (3)	C26—B1—C32	111.5 (2)
C33—C32—B1	122.1 (2)	N2—B2—C75	107.0 (2)
C37—C32—B1	121.9 (3)	N2—B2—C69	106.9 (2)
C34—C33—C32	122.4 (3)	C75—B2—C69	112.3 (3)
C34—C33—H26	119.2	N2—B2—C81	107.9 (2)
C32—C33—H26	118.4	C75—B2—C81	112.5 (2)
C35—C34—C33	120.0 (3)	C69—B2—C81	109.9 (2)

C6—Fe1—P1—C8	−97.51 (16)	C50—Fe2—C44—C45	156.6 (2)
C7—Fe1—P1—C8	169.77 (15)	C46—Fe2—C44—C45	−37.1 (2)
C1—Fe1—P1—C8	−6.7 (2)	C47—Fe2—C44—C45	−80.6 (2)
C5—Fe1—P1—C8	5.29 (18)	C48—Fe2—C44—C45	−118.2 (3)
C2—Fe1—P1—C8	70.0 (3)	P2—Fe2—C44—C45	59.2 (2)
C4—Fe1—P1—C8	42.62 (17)	C49—Fe2—C44—C48	19.3 (4)
C3—Fe1—P1—C8	74.56 (16)	C50—Fe2—C44—C48	−85.2 (2)
C6—Fe1—P1—C14	21.99 (16)	C46—Fe2—C44—C48	81.1 (2)
C7—Fe1—P1—C14	−70.73 (14)	C47—Fe2—C44—C48	37.7 (2)
C1—Fe1—P1—C14	112.8 (2)	C45—Fe2—C44—C48	118.2 (3)
C5—Fe1—P1—C14	124.80 (18)	P2—Fe2—C44—C48	177.46 (17)
C2—Fe1—P1—C14	−170.5 (3)	C48—C44—C45—C46	−0.8 (4)
C4—Fe1—P1—C14	162.13 (17)	Fe2—C44—C45—C46	59.7 (2)
C3—Fe1—P1—C14	−165.94 (15)	C48—C44—C45—Fe2	−60.5 (2)
C6—Fe1—P1—C20	142.09 (15)	C49—Fe2—C45—C44	140.3 (2)
C7—Fe1—P1—C20	49.37 (14)	C50—Fe2—C45—C44	−30.9 (3)
C1—Fe1—P1—C20	−127.1 (2)	C46—Fe2—C45—C44	119.1 (3)
C5—Fe1—P1—C20	−115.11 (17)	C47—Fe2—C45—C44	81.1 (2)
C2—Fe1—P1—C20	−50.4 (3)	C48—Fe2—C45—C44	37.8 (2)
C4—Fe1—P1—C20	−77.77 (16)	P2—Fe2—C45—C44	−128.1 (2)
C3—Fe1—P1—C20	−45.84 (15)	C49—Fe2—C45—C46	21.2 (3)
C49—Fe2—P2—C57	−147.53 (14)	C50—Fe2—C45—C46	−150.0 (2)
C50—Fe2—P2—C57	−55.94 (14)	C47—Fe2—C45—C46	−38.0 (2)
C46—Fe2—P2—C57	110.77 (15)	C48—Fe2—C45—C46	−81.3 (2)
C47—Fe2—P2—C57	122.1 (2)	C44—Fe2—C45—C46	−119.1 (3)
C48—Fe2—P2—C57	45.1 (3)	P2—Fe2—C45—C46	112.8 (2)
C44—Fe2—P2—C57	41.64 (14)	C44—C45—C46—C47	1.1 (4)
C45—Fe2—P2—C57	73.95 (15)	Fe2—C45—C46—C47	61.5 (2)
C49—Fe2—P2—C51	90.83 (14)	C44—C45—C46—Fe2	−60.4 (2)
C50—Fe2—P2—C51	−177.59 (14)	C49—Fe2—C46—C45	−165.9 (2)
C46—Fe2—P2—C51	−10.87 (16)	C50—Fe2—C46—C45	72.7 (5)
C47—Fe2—P2—C51	0.4 (2)	C47—Fe2—C46—C45	117.9 (3)
C48—Fe2—P2—C51	−76.5 (3)	C48—Fe2—C46—C45	80.0 (2)
C44—Fe2—P2—C51	−80.01 (14)	C44—Fe2—C46—C45	36.8 (2)
C45—Fe2—P2—C51	−47.69 (15)	P2—Fe2—C46—C45	−72.7 (2)
C49—Fe2—P2—C63	−27.50 (14)	C49—Fe2—C46—C47	76.2 (2)
C50—Fe2—P2—C63	64.08 (14)	C50—Fe2—C46—C47	−45.3 (5)
C46—Fe2—P2—C63	−129.20 (15)	C48—Fe2—C46—C47	−37.9 (2)
C47—Fe2—P2—C63	−117.9 (2)	C44—Fe2—C46—C47	−81.1 (2)
C48—Fe2—P2—C63	165.2 (2)	C45—Fe2—C46—C47	−117.9 (3)
C44—Fe2—P2—C63	161.67 (14)	P2—Fe2—C46—C47	169.4 (2)
C45—Fe2—P2—C63	−166.02 (14)	C45—C46—C47—C48	−1.0 (4)
C6—Fe1—C1—C2	−131.1 (3)	Fe2—C46—C47—C48	60.9 (2)
C7—Fe1—C1—C2	−39.3 (3)	C45—C46—C47—Fe2	−61.9 (2)
C5—Fe1—C1—C2	118.0 (4)	C49—Fe2—C47—C48	134.6 (2)
C4—Fe1—C1—C2	80.1 (3)	C50—Fe2—C47—C48	42.6 (3)
C3—Fe1—C1—C2	37.8 (2)	C46—Fe2—C47—C48	−117.7 (3)
P1—Fe1—C1—C2	136.5 (2)	C44—Fe2—C47—C48	−37.6 (2)
C6—Fe1—C1—C5	111.0 (3)	C45—Fe2—C47—C48	−80.1 (2)
C7—Fe1—C1—C5	−157.3 (3)	P2—Fe2—C47—C48	−135.1 (2)
C2—Fe1—C1—C5	−118.0 (4)	C49—Fe2—C47—C46	−107.8 (2)
C4—Fe1—C1—C5	−37.9 (2)	C50—Fe2—C47—C46	160.3 (2)
C3—Fe1—C1—C5	−80.2 (3)	C48—Fe2—C47—C46	117.7 (3)
P1—Fe1—C1—C5	18.5 (4)	C44—Fe2—C47—C46	80.0 (2)
C5—C1—C2—C3	0.2 (4)	C45—Fe2—C47—C46	37.6 (2)
Fe1—C1—C2—C3	−60.9 (2)	P2—Fe2—C47—C46	−17.4 (3)
C5—C1—C2—Fe1	61.1 (3)	C46—C47—C48—C44	0.5 (4)
C6—Fe1—C2—C1	54.7 (3)	Fe2—C47—C48—C44	61.1 (2)
C7—Fe1—C2—C1	147.7 (3)	C46—C47—C48—Fe2	−60.6 (2)
C5—Fe1—C2—C1	−37.9 (3)	C45—C44—C48—C47	0.2 (4)
C4—Fe1—C2—C1	−81.3 (3)	Fe2—C44—C48—C47	−60.8 (2)
C3—Fe1—C2—C1	−118.3 (3)	C45—C44—C48—Fe2	61.0 (2)
P1—Fe1—C2—C1	−111.7 (4)	C49—Fe2—C48—C47	−52.7 (3)
C6—Fe1—C2—C3	173.0 (2)	C50—Fe2—C48—C47	−144.9 (2)
C7—Fe1—C2—C3	−94.0 (2)	C46—Fe2—C48—C47	38.0 (2)
C1—Fe1—C2—C3	118.3 (3)	C44—Fe2—C48—C47	118.2 (3)
C5—Fe1—C2—C3	80.4 (3)	C45—Fe2—C48—C47	81.0 (2)
C4—Fe1—C2—C3	37.0 (2)	P2—Fe2—C48—C47	113.1 (3)
P1—Fe1—C2—C3	6.6 (4)	C49—Fe2—C48—C44	−170.91 (19)
C1—C2—C3—C4	−0.3 (4)	C50—Fe2—C48—C44	96.9 (2)
Fe1—C2—C3—C4	−60.8 (2)	C46—Fe2—C48—C44	−80.1 (2)
C1—C2—C3—Fe1	60.5 (3)	C47—Fe2—C48—C44	−118.2 (3)
C6—Fe1—C3—C4	104.8 (4)	C45—Fe2—C48—C44	−37.18 (19)
C7—Fe1—C3—C4	−154.4 (3)	P2—Fe2—C48—C44	−5.1 (4)
C1—Fe1—C3—C4	81.0 (3)	C50—Fe2—C49—O2	93 (9)
C5—Fe1—C3—C4	37.7 (3)	C46—Fe2—C49—O2	−67 (9)
C2—Fe1—C3—C4	118.3 (3)	C47—Fe2—C49—O2	−29 (9)
P1—Fe1—C3—C4	−58.5 (3)	C48—Fe2—C49—O2	1 (9)
C6—Fe1—C3—C2	−13.5 (4)	C44—Fe2—C49—O2	−12 (9)
C7—Fe1—C3—C2	87.3 (2)	C45—Fe2—C49—O2	−80 (9)
C1—Fe1—C3—C2	−37.3 (2)	P2—Fe2—C49—O2	−173 (9)
C5—Fe1—C3—C2	−80.7 (3)	B2—N2—C50—Fe2	−24 (8)
C4—Fe1—C3—C2	−118.3 (3)	C49—Fe2—C50—N2	−59 (3)
P1—Fe1—C3—C2	−176.80 (19)	C46—Fe2—C50—N2	64 (3)
C2—C3—C4—C5	0.3 (4)	C47—Fe2—C50—N2	32 (3)
Fe1—C3—C4—C5	−60.1 (3)	C48—Fe2—C50—N2	57 (3)
C2—C3—C4—Fe1	60.4 (2)	C44—Fe2—C50—N2	96 (3)
C6—Fe1—C4—C3	−134.0 (3)	C45—Fe2—C50—N2	115 (3)
C7—Fe1—C4—C3	32.7 (3)	P2—Fe2—C50—N2	−149 (3)
C1—Fe1—C4—C3	−80.8 (3)	C57—P2—C51—C56	−6.7 (3)
C5—Fe1—C4—C3	−118.7 (4)	C63—P2—C51—C56	−112.1 (3)
C2—Fe1—C4—C3	−37.9 (2)	Fe2—P2—C51—C56	124.0 (2)
P1—Fe1—C4—C3	129.1 (2)	C57—P2—C51—C52	176.0 (2)
C6—Fe1—C4—C5	−15.4 (4)	C63—P2—C51—C52	70.6 (3)
C7—Fe1—C4—C5	151.4 (3)	Fe2—P2—C51—C52	−53.3 (3)
C1—Fe1—C4—C5	37.9 (3)	C56—C51—C52—C53	1.4 (5)
C2—Fe1—C4—C5	80.8 (3)	P2—C51—C52—C53	178.8 (3)
C3—Fe1—C4—C5	118.7 (4)	C51—C52—C53—C54	−0.7 (5)
P1—Fe1—C4—C5	−112.2 (3)	C52—C53—C54—C55	−0.3 (6)
C2—C1—C5—C4	0.0 (4)	C53—C54—C55—C56	0.7 (6)
Fe1—C1—C5—C4	61.5 (3)	C52—C51—C56—C55	−1.0 (5)
C2—C1—C5—Fe1	−61.5 (3)	P2—C51—C56—C55	−178.3 (3)
C3—C4—C5—C1	−0.2 (4)	C54—C55—C56—C51	0.0 (5)
Fe1—C4—C5—C1	−61.1 (3)	C51—P2—C57—C62	110.7 (3)
C3—C4—C5—Fe1	60.9 (3)	C63—P2—C57—C62	−141.3 (2)
C6—Fe1—C5—C1	−72.2 (3)	Fe2—P2—C57—C62	−14.9 (3)
C7—Fe1—C5—C1	51.1 (6)	C51—P2—C57—C58	−65.6 (3)
C2—Fe1—C5—C1	37.5 (3)	C63—P2—C57—C58	42.4 (3)
C4—Fe1—C5—C1	117.8 (4)	Fe2—P2—C57—C58	168.8 (2)
C3—Fe1—C5—C1	81.0 (3)	C62—C57—C58—C59	−0.2 (5)
P1—Fe1—C5—C1	−168.6 (3)	P2—C57—C58—C59	176.2 (2)
C6—Fe1—C5—C4	170.0 (3)	C57—C58—C59—C60	−0.7 (5)
C7—Fe1—C5—C4	−66.7 (6)	C58—C59—C60—C61	0.9 (5)
C1—Fe1—C5—C4	−117.8 (4)	C59—C60—C61—C62	−0.3 (6)
C2—Fe1—C5—C4	−80.2 (3)	C58—C57—C62—C61	0.8 (5)
C3—Fe1—C5—C4	−36.8 (2)	P2—C57—C62—C61	−175.5 (3)
P1—Fe1—C5—C4	73.6 (3)	C60—C61—C62—C57	−0.6 (5)
C7—Fe1—C6—O1	−82 (7)	C57—P2—C63—C64	−111.2 (3)
C1—Fe1—C6—O1	41 (7)	C51—P2—C63—C64	−3.9 (3)
C5—Fe1—C6—O1	78 (7)	Fe2—P2—C63—C64	118.6 (3)
C2—Fe1—C6—O1	10 (7)	C57—P2—C63—C68	68.9 (3)
C4—Fe1—C6—O1	88 (7)	C51—P2—C63—C68	176.2 (2)
C3—Fe1—C6—O1	19 (7)	Fe2—P2—C63—C68	−61.3 (3)
B1—N1—C7—Fe1	−26 (5)	C68—C63—C64—C65	0.7 (5)
C6—Fe1—C7—N1	73 (3)	P2—C63—C64—C65	−179.2 (3)
C1—Fe1—C7—N1	−16 (3)	C63—C64—C65—C66	−0.4 (6)
C5—Fe1—C7—N1	−52 (3)	C64—C65—C66—C67	−0.3 (6)
C2—Fe1—C7—N1	−40 (3)	C65—C66—C67—C68	0.7 (6)
C4—Fe1—C7—N1	−98 (3)	C66—C67—C68—C63	−0.3 (5)
C3—Fe1—C7—N1	−79 (3)	C64—C63—C68—C67	−0.3 (5)
P1—Fe1—C7—N1	166 (3)	P2—C63—C68—C67	179.5 (3)
C14—P1—C8—C9	128.9 (3)	C74—C69—C70—C71	0.3 (5)
C20—P1—C8—C9	23.4 (3)	B2—C69—C70—C71	−174.5 (3)
Fe1—P1—C8—C9	−104.6 (3)	C69—C70—C71—C72	−0.4 (5)
C14—P1—C8—C13	−59.2 (3)	C70—C71—C72—C73	0.3 (6)
C20—P1—C8—C13	−164.7 (3)	C71—C72—C73—C74	0.1 (6)
Fe1—P1—C8—C13	67.3 (3)	C70—C69—C74—C73	0.1 (5)
C13—C8—C9—C10	−2.2 (5)	B2—C69—C74—C73	174.7 (3)
P1—C8—C9—C10	169.8 (3)	C72—C73—C74—C69	−0.3 (6)
C8—C9—C10—C11	3.0 (6)	C80—C75—C76—C77	−1.6 (5)
C9—C10—C11—C12	−1.9 (7)	B2—C75—C76—C77	174.0 (3)
C10—C11—C12—C13	0.0 (7)	C75—C76—C77—C78	−0.2 (6)
C11—C12—C13—C8	0.8 (7)	C76—C77—C78—C79	2.0 (7)
C9—C8—C13—C12	0.3 (6)	C77—C78—C79—C80	−1.8 (6)
P1—C8—C13—C12	−171.8 (3)	C78—C79—C80—C75	−0.1 (6)
C8—P1—C14—C15	−14.7 (4)	C76—C75—C80—C79	1.8 (5)
C20—P1—C14—C15	94.0 (3)	B2—C75—C80—C79	−173.8 (3)
Fe1—P1—C14—C15	−136.9 (3)	C86—C81—C82—C83	1.7 (5)
C8—P1—C14—C19	169.4 (3)	B2—C81—C82—C83	−174.1 (3)
C20—P1—C14—C19	−81.9 (3)	C81—C82—C83—C84	0.9 (5)
Fe1—P1—C14—C19	47.2 (3)	C82—C83—C84—C85	−2.5 (5)
C19—C14—C15—C16	0.1 (6)	C83—C84—C85—C86	1.3 (5)
P1—C14—C15—C16	−175.9 (4)	C84—C85—C86—C81	1.5 (5)
C14—C15—C16—C17	−0.8 (8)	C82—C81—C86—C85	−2.9 (4)
C15—C16—C17—C18	1.1 (7)	B2—C81—C86—C85	172.9 (3)
C16—C17—C18—C19	−0.8 (6)	C7—N1—B1—C38	157 (2)
C17—C18—C19—C14	0.1 (5)	C7—N1—B1—C26	36 (3)
C15—C14—C19—C18	0.3 (5)	C7—N1—B1—C32	−83 (3)
P1—C14—C19—C18	176.4 (2)	C39—C38—B1—N1	−131.5 (3)
C8—P1—C20—C25	−115.6 (2)	C43—C38—B1—N1	51.5 (3)
C14—P1—C20—C25	135.7 (2)	C39—C38—B1—C26	−14.6 (4)
Fe1—P1—C20—C25	7.4 (3)	C43—C38—B1—C26	168.4 (3)
C8—P1—C20—C21	66.5 (3)	C39—C38—B1—C32	112.2 (3)
C14—P1—C20—C21	−42.3 (3)	C43—C38—B1—C32	−64.8 (3)
Fe1—P1—C20—C21	−170.5 (2)	C31—C26—B1—N1	−142.9 (3)
C25—C20—C21—C22	−0.5 (5)	C27—C26—B1—N1	41.4 (4)
P1—C20—C21—C22	177.4 (2)	C31—C26—B1—C38	99.5 (3)
C20—C21—C22—C23	0.8 (5)	C27—C26—B1—C38	−76.3 (4)
C21—C22—C23—C24	−0.2 (5)	C31—C26—B1—C32	−27.9 (4)
C22—C23—C24—C25	−0.6 (5)	C27—C26—B1—C32	156.3 (3)
C21—C20—C25—C24	−0.2 (4)	C33—C32—B1—N1	42.1 (3)
P1—C20—C25—C24	−178.2 (2)	C37—C32—B1—N1	−142.0 (3)
C23—C24—C25—C20	0.8 (5)	C33—C32—B1—C38	159.5 (3)
C31—C26—C27—C28	−1.1 (5)	C37—C32—B1—C38	−24.6 (4)
B1—C26—C27—C28	174.9 (3)	C33—C32—B1—C26	−73.2 (3)
C26—C27—C28—C29	−0.6 (6)	C37—C32—B1—C26	102.7 (3)
C27—C28—C29—C30	1.8 (7)	C50—N2—B2—C75	−4 (6)
C28—C29—C30—C31	−1.2 (7)	C50—N2—B2—C69	−125 (5)
C29—C30—C31—C26	−0.6 (7)	C50—N2—B2—C81	117 (5)
C27—C26—C31—C30	1.7 (5)	C80—C75—B2—N2	−40.6 (4)
B1—C26—C31—C30	−174.3 (4)	C76—C75—B2—N2	144.1 (3)
C37—C32—C33—C34	0.1 (4)	C80—C75—B2—C69	76.5 (3)
B1—C32—C33—C34	176.2 (3)	C76—C75—B2—C69	−98.9 (3)
C32—C33—C34—C35	−0.3 (5)	C80—C75—B2—C81	−158.8 (3)
C33—C34—C35—C36	0.3 (5)	C76—C75—B2—C81	25.8 (4)
C34—C35—C36—C37	−0.1 (5)	C74—C69—B2—N2	141.9 (3)
C35—C36—C37—C32	0.0 (5)	C70—C69—B2—N2	−43.8 (4)
C33—C32—C37—C36	0.0 (4)	C74—C69—B2—C75	24.8 (4)
B1—C32—C37—C36	−176.1 (3)	C70—C69—B2—C75	−160.9 (3)
C43—C38—C39—C40	0.2 (5)	C74—C69—B2—C81	−101.3 (3)
B1—C38—C39—C40	−176.9 (3)	C70—C69—B2—C81	73.1 (3)
C38—C39—C40—C41	0.5 (6)	C86—C81—B2—N2	141.5 (3)
C39—C40—C41—C42	−0.7 (6)	C82—C81—B2—N2	−42.9 (4)
C40—C41—C42—C43	0.2 (5)	C86—C81—B2—C75	−100.7 (3)
C41—C42—C43—C38	0.6 (5)	C82—C81—B2—C75	74.9 (3)
C39—C38—C43—C42	−0.7 (4)	C86—C81—B2—C69	25.3 (4)
B1—C38—C43—C42	176.5 (3)	C82—C81—B2—C69	−159.1 (3)
C49—Fe2—C44—C45	−99.0 (4)

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

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Carbon­yl(η5-cyclo­penta­dien­yl)(isocyano­triphenyl­borato-κC)(triphenyl­phosphine-κP)iron(II)

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Carbonyl(η⁵-cyclopentadienyl)(isocyanotriphenylborato-κC)(triphenylphosphine-κP)iron(II)