Bis[N,N'-bis­(trimethyl­silyl)ferrocene-1,1'-diaminato]uranium(IV)

The title compound, [U{Fe(C₈H₁₃NSi)₂}₂] or [Fe₂U(C₈H₁₃NSi)₄], possessess twofold symmetry in the crystal structure, with the U atom lying on the rotation axis; a distorted UN₄ tetra­hedron results.

Key indicators

• Single-crystal X-ray study
• T = 148 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.017
• wR factor = 0.023
• Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      24.72 Deg.

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.259     0.360
            Tmin and Tmax expected:      0.230     0.360
            RR =      1.126
            Please check that your absorption correction is appropriate.
THETM01_ALERT_3_C  The value of sine(theta_max)/wavelength is less than 0.590
            Calculated sin(theta_max)/wavelength =    0.5884
PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6].....      24.72 Deg.
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.76 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  U1     -   N2      ..       5.81 su
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.04
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        124
            C1  -C5  -FE1 -C13   -14.00  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 ... #        206
            C4  -C5  -FE1 -C13  -133.00  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 ... #        215
            C5  -FE1 -C13 -C9    -67.00  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 ... #        216
            C5  -FE1 -C13 -C12   174.00  2.00   1.555   1.555   1.555   1.555

   1 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

   0 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
   4 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: TEXSAN (Molecular Structure Corporation & Rigaku, 1998); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: TEXSAN.

Bis[N,N'-bis(trimethylsilyl)ferrocene-1,1'-diaminato]uranium(IV)

Crystal data

[Fe2U(C8H13NSi)4]	F(000) = 1888.00
Mr = 954.86	Dx = 1.652 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -C 2yc	Cell parameters from 5958 reflections
a = 18.987 (1) Å	θ = 3.5–24.7°
b = 11.5384 (7) Å	µ = 5.11 mm^−1
c = 19.468 (1) Å	T = 148 K
β = 115.807 (1)°	Prism, black
V = 3839.6 (4) Å^3	0.30 × 0.26 × 0.20 mm
Z = 4

Data collection

Bruker SMART 1000 CCD diffractometer	2925 reflections with F^2 > 3σ(F^2)
ω scans	Rint = 0.018
Absorption correction: multi-scan (SORTAV; Blessing, 1995)	θmax = 24.7°
Tmin = 0.259, Tmax = 0.360	h = 0→22
8606 measured reflections	k = 0→13
3231 independent reflections	l = −22→20

Refinement

Refinement on F	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.017	w = 1/[σ^2(Fo) + 0.00022|Fo|^2]
wR(F^2) = 0.023	(Δ/σ)max = 0.015
S = 1.05	Δρmax = 0.88 e Å^−3
2925 reflections	Δρmin = −0.56 e Å^−3
195 parameters

Special details

Refinement. Refinement using reflections with F² > 3.0 σ(F²). The weighted R-factor (wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero for negative F. The threshold expression of F² > 3.0 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
U1	0.0000	0.22819 (1)	0.2500	0.01911 (5)
Fe1	−0.02676 (3)	0.22125 (4)	0.40929 (2)	0.0234 (1)
Si1	−0.15427 (5)	−0.00620 (8)	0.18693 (5)	0.0311 (2)
Si2	0.13799 (5)	0.46862 (8)	0.34959 (5)	0.0329 (3)
N1	−0.0931 (1)	0.1000 (2)	0.2446 (1)	0.0244 (7)
N2	0.0696 (1)	0.3620 (2)	0.3380 (1)	0.0273 (7)
C1	−0.0988 (2)	0.1219 (2)	0.3131 (2)	0.0225 (8)
C2	−0.1418 (2)	0.2137 (3)	0.3278 (2)	0.0303 (9)
C3	−0.1362 (2)	0.1990 (3)	0.4021 (2)	0.039 (1)
C4	−0.0894 (2)	0.1002 (3)	0.4352 (2)	0.0360 (10)
C5	−0.0653 (2)	0.0534 (3)	0.3818 (2)	0.0281 (8)
C6	−0.1607 (2)	−0.1318 (3)	0.2444 (2)	0.047 (1)
C7	−0.2549 (2)	0.0518 (4)	0.1305 (2)	0.055 (1)
C8	−0.1144 (2)	−0.0613 (3)	0.1214 (2)	0.048 (1)
C9	0.0583 (2)	0.3319 (3)	0.4024 (2)	0.0269 (8)
C10	0.0937 (2)	0.2370 (3)	0.4529 (2)	0.0317 (9)
C11	0.0694 (2)	0.2391 (3)	0.5117 (2)	0.040 (1)
C12	0.0181 (2)	0.3333 (3)	0.4988 (2)	0.042 (1)
C13	0.0097 (2)	0.3899 (3)	0.4308 (2)	0.0343 (9)
C14	0.1292 (2)	0.5930 (3)	0.4059 (2)	0.052 (1)
C15	0.2382 (2)	0.4083 (4)	0.4015 (3)	0.062 (1)
C16	0.1233 (2)	0.5223 (3)	0.2544 (2)	0.052 (1)
H1	−0.1693	0.2746	0.2936	0.0360*
H2	−0.1605	0.2464	0.4254	0.0459*
H3	−0.0772	0.0700	0.4841	0.0430*
H4	−0.0329	−0.0130	0.3896	0.0329*
H5	0.1280	0.1810	0.4477	0.0377*
H6	0.0852	0.1869	0.5532	0.0496*
H7	−0.0060	0.3563	0.5304	0.0491*
H8	−0.0216	0.4559	0.4089	0.0408*
H9	−0.1808	−0.1078	0.2794	0.0585*
H10	−0.1945	−0.1904	0.2118	0.0585*
H11	−0.1101	−0.1654	0.2729	0.0585*
H12	−0.2760	0.0782	0.1651	0.0672*
H13	−0.2543	0.1150	0.1001	0.0672*
H14	−0.2886	−0.0073	0.0993	0.0672*
H15	−0.1467	−0.1191	0.0894	0.0578*
H16	−0.1096	0.0014	0.0914	0.0578*
H17	−0.0628	−0.0924	0.1509	0.0578*
H18	0.1377	0.5679	0.4563	0.0676*
H19	0.1677	0.6510	0.4122	0.0676*
H20	0.0788	0.6273	0.3820	0.0676*
H21	0.2456	0.3799	0.4508	0.0757*
H22	0.2456	0.3447	0.3739	0.0757*
H23	0.2765	0.4657	0.4088	0.0757*
H24	0.1594	0.5802	0.2583	0.0620*
H25	0.1280	0.4590	0.2241	0.0620*
H26	0.0708	0.5527	0.2271	0.0620*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
U1	0.02115 (9)	0.01745 (10)	0.02263 (9)	0.0000	0.01317 (7)	0.0000
Fe1	0.0268 (2)	0.0241 (2)	0.0243 (2)	−0.0037 (2)	0.0158 (2)	−0.0038 (2)
Si1	0.0348 (5)	0.0351 (5)	0.0295 (5)	−0.0148 (4)	0.0199 (4)	−0.0084 (4)
Si2	0.0371 (5)	0.0290 (5)	0.0399 (5)	−0.0129 (4)	0.0235 (4)	−0.0090 (4)
N1	0.027 (1)	0.029 (1)	0.021 (1)	−0.007 (1)	0.014 (1)	−0.0042 (10)
N2	0.028 (1)	0.029 (1)	0.031 (1)	−0.006 (1)	0.019 (1)	−0.003 (1)
C1	0.019 (1)	0.025 (2)	0.027 (2)	−0.007 (1)	0.013 (1)	−0.002 (1)
C2	0.023 (2)	0.035 (2)	0.035 (2)	0.002 (1)	0.016 (1)	0.000 (1)
C3	0.032 (2)	0.055 (2)	0.042 (2)	−0.005 (2)	0.027 (2)	−0.013 (2)
C4	0.037 (2)	0.049 (2)	0.027 (2)	−0.017 (2)	0.019 (1)	−0.002 (1)
C5	0.030 (2)	0.026 (2)	0.029 (2)	−0.008 (1)	0.013 (1)	0.001 (1)
C6	0.061 (2)	0.042 (2)	0.044 (2)	−0.026 (2)	0.030 (2)	−0.010 (2)
C7	0.040 (2)	0.074 (3)	0.046 (2)	−0.013 (2)	0.013 (2)	−0.006 (2)
C8	0.066 (3)	0.040 (2)	0.053 (2)	−0.019 (2)	0.041 (2)	−0.015 (2)
C9	0.031 (2)	0.023 (2)	0.029 (2)	−0.008 (1)	0.015 (1)	−0.006 (1)
C10	0.027 (2)	0.033 (2)	0.030 (2)	−0.010 (1)	0.008 (1)	−0.003 (1)
C11	0.048 (2)	0.046 (2)	0.024 (2)	−0.021 (2)	0.012 (2)	−0.004 (1)
C12	0.061 (2)	0.044 (2)	0.038 (2)	−0.024 (2)	0.036 (2)	−0.021 (2)
C13	0.045 (2)	0.024 (2)	0.046 (2)	−0.006 (1)	0.031 (2)	−0.010 (1)
C14	0.071 (3)	0.038 (2)	0.062 (2)	−0.021 (2)	0.042 (2)	−0.019 (2)
C15	0.038 (2)	0.062 (3)	0.084 (3)	−0.016 (2)	0.024 (2)	−0.007 (2)
C16	0.076 (3)	0.039 (2)	0.057 (2)	−0.023 (2)	0.044 (2)	−0.006 (2)

Geometric parameters (Å, º)

U1—N1	2.272 (2)	C9—C13	1.432 (4)
U1—N1^i	2.272 (2)	C10—C11	1.408 (5)
U1—N2	2.257 (2)	C11—C12	1.406 (5)
U1—N2^i	2.257 (2)	C12—C13	1.421 (5)
FE1—C1	2.112 (3)	C2—H1	0.952
FE1—C2	2.068 (3)	C3—H2	0.948
FE1—C3	2.037 (3)	C4—H3	0.942
FE1—C4	2.036 (3)	C5—H4	0.952
FE1—C5	2.057 (3)	C6—H9	0.954
FE1—C9	2.108 (3)	C6—H10	0.957
FE1—C10	2.072 (3)	C6—H11	0.959
FE1—C11	2.045 (3)	C7—H12	0.971
FE1—C12	2.034 (3)	C7—H13	0.942
FE1—C13	2.047 (3)	C7—H14	0.951
SI1—N1	1.725 (2)	C8—H15	0.936
SI1—C6	1.867 (4)	C8—H16	0.958
SI1—C7	1.865 (4)	C8—H17	0.965
SI1—C8	1.856 (4)	C10—H5	0.954
SI2—N2	1.731 (3)	C11—H6	0.946
SI2—C14	1.858 (4)	C12—H7	0.951
SI2—C15	1.858 (4)	C13—H8	0.945
SI2—C16	1.857 (4)	C14—H18	0.966
N1—C1	1.407 (3)	C14—H19	0.959
N2—C9	1.404 (4)	C14—H20	0.949
C1—C2	1.440 (4)	C15—H21	0.964
C1—C5	1.441 (4)	C15—H22	0.956
C2—C3	1.414 (5)	C15—H23	0.947
C3—C4	1.416 (5)	C16—H24	0.936
C4—C5	1.414 (4)	C16—H25	0.967
C9—C10	1.429 (4)	C16—H26	0.968
N1—U1—N1^i	98.8 (1)	C3—C4—C5	108.2 (3)
N1—U1—N2	131.81 (8)	FE1—C5—C1	71.8 (2)
N1—U1—N2^i	102.92 (9)	FE1—C5—C4	69.0 (2)
N1—U1^i—N2	131.81 (8)	C1—C5—C4	108.6 (3)
N1—U1^i—N2^i	102.92 (7)	FE1—C9—N2	128.7 (2)
N2—U1—N2^i	93.7 (1)	FE1—C9—C10	68.6 (2)
C1—FE1—C2	40.3 (1)	FE1—C9—C13	67.5 (2)
C1—FE1—C3	67.9 (1)	N2—C9—C10	126.5 (3)
C1—FE1—C4	68.0 (1)	N2—C9—C13	127.1 (3)
C1—FE1—C5	40.4 (1)	C10—C9—C13	106.4 (3)
C1—FE1—C9	119.4 (1)	FE1—C10—C9	71.4 (2)
C1—FE1—C10	125.7 (1)	FE1—C10—C11	69.0 (2)
C1—FE1—C11	151.4 (1)	C9—C10—C11	108.9 (3)
C1—FE1—C12	166.5 (1)	FE1—C11—C10	71.0 (2)
C1—FE1—C13	136.7 (1)	FE1—C11—C12	69.4 (2)
C2—FE1—C3	40.3 (1)	C10—C11—C12	108.3 (3)
C2—FE1—C4	68.0 (1)	FE1—C12—C11	70.2 (2)
C2—FE1—C5	67.9 (1)	FE1—C12—C13	70.1 (2)
C2—FE1—C9	124.0 (1)	C11—C12—C13	108.2 (3)
C2—FE1—C10	157.9 (1)	FE1—C13—C9	72.2 (2)
C2—FE1—C11	161.5 (1)	FE1—C13—C12	69.2 (2)
C2—FE1—C12	126.3 (1)	C9—C13—C12	108.3 (3)
C2—FE1—C13	110.3 (1)	FE1—C2—H1	125.472
C3—FE1—C4	40.7 (1)	C1—C2—H1	126.184
C3—FE1—C5	68.1 (1)	C3—C2—H1	125.271
C3—FE1—C9	149.2 (1)	FE1—C3—H2	126.061
C3—FE1—C10	161.8 (1)	C2—C3—H2	125.765
C3—FE1—C11	122.0 (1)	C4—C3—H2	125.849
C3—FE1—C12	100.0 (1)	FE1—C4—H3	126.188
C3—FE1—C13	112.2 (1)	C3—C4—H3	125.992
C4—FE1—C5	40.4 (1)	C5—C4—H3	125.787
C4—FE1—C9	167.9 (1)	FE1—C5—H4	125.715
C4—FE1—C10	128.2 (1)	C1—C5—H4	125.690
C4—FE1—C11	101.4 (1)	C4—C5—H4	125.680
C4—FE1—C12	107.2 (1)	SI1—C6—H9	110.680
C4—FE1—C13	141.6 (1)	SI1—C6—H10	110.623
C5—FE1—C9	138.5 (1)	SI1—C6—H11	110.516
C5—FE1—C10	113.1 (1)	H9—C6—H10	108.477
C5—FE1—C11	114.5 (1)	H9—C6—H11	108.357
C5—FE1—C12	142.2 (1)	H10—C6—H11	108.104
C5—FE1—C13	177.0 (1)	SI1—C7—H12	109.327
C9—FE1—C10	40.0 (1)	SI1—C7—H13	111.011
C9—FE1—C11	67.5 (1)	SI1—C7—H14	110.520
C9—FE1—C12	67.8 (1)	H12—C7—H13	108.319
C9—FE1—C13	40.3 (1)	H12—C7—H14	107.558
C10—FE1—C11	40.0 (1)	H13—C7—H14	110.012
C10—FE1—C12	67.5 (1)	SI1—C8—H15	110.876
C10—FE1—C13	67.6 (1)	SI1—C8—H16	109.595
C11—FE1—C12	40.3 (2)	SI1—C8—H17	109.251
C11—FE1—C13	68.0 (1)	H15—C8—H16	110.013
C12—FE1—C13	40.7 (1)	H15—C8—H17	109.460
N1—SI1—C6	111.3 (1)	H16—C8—H17	107.579
N1—SI1—C7	110.8 (2)	FE1—C10—H5	125.491
N1—SI1—C8	109.3 (1)	C9—C10—H5	125.710
C6—SI1—C7	108.3 (2)	C11—C10—H5	125.424
C6—SI1—C8	107.4 (2)	FE1—C11—H6	125.856
C7—SI1—C8	109.7 (2)	C10—C11—H6	126.041
N2—SI2—C14	111.7 (1)	C12—C11—H6	125.663
N2—SI2—C15	109.7 (2)	FE1—C12—H7	126.291
N2—SI2—C16	109.2 (1)	C11—C12—H7	126.155
C14—SI2—C15	107.6 (2)	C13—C12—H7	125.666
C14—SI2—C16	108.6 (2)	FE1—C13—H8	125.680
C15—SI2—C16	110.0 (2)	C9—C13—H8	125.993
U1—N1—SI1	141.4 (1)	C12—C13—H8	125.733
U1—N1—C1	102.6 (2)	SI2—C14—H18	110.365
SI1—N1—C1	115.9 (2)	SI2—C14—H19	110.725
U1—N2—SI2	138.0 (1)	SI2—C14—H20	111.247
U1—N2—C9	104.0 (2)	H18—C14—H19	107.404
SI2—N2—C9	117.2 (2)	H18—C14—H20	108.228
FE1—C1—N1	130.6 (2)	H19—C14—H20	108.752
FE1—C1—C2	68.2 (2)	SI2—C15—H21	109.917
FE1—C1—C5	67.8 (2)	SI2—C15—H22	110.375
N1—C1—C2	127.2 (3)	SI2—C15—H23	110.898
N1—C1—C5	126.6 (3)	H21—C15—H22	107.782
C2—C1—C5	106.2 (3)	H21—C15—H23	108.552
FE1—C2—C1	71.5 (2)	H22—C15—H23	109.242
FE1—C2—C3	68.7 (2)	SI2—C16—H24	111.742
C1—C2—C3	108.5 (3)	SI2—C16—H25	110.000
FE1—C3—C2	71.0 (2)	SI2—C16—H26	109.926
FE1—C3—C4	69.6 (2)	H24—C16—H25	109.229
C2—C3—C4	108.4 (3)	H24—C16—H26	109.172
FE1—C4—C3	69.7 (2)	H25—C16—H26	106.634
FE1—C4—C5	70.6 (2)
U1—N1—SI1—C6	140.3 (2)	C2—FE1—C10—C9	51.3 (4)
U1—N1—SI1—C7	−99.2 (2)	C2—FE1—C10—C11	171.0 (3)
U1—N1—SI1—C8	21.9 (3)	C2—FE1—C11—C10	−169.3 (3)
U1—N1—C1—FE1	−11.2 (3)	C2—FE1—C11—C12	−50.4 (5)
U1—N1—C1—C2	80.9 (3)	C2—FE1—C12—C11	162.4 (2)
U1—N1—C1—C5	−102.1 (3)	C2—FE1—C12—C13	−78.8 (2)
U1—N1^i—SI1^i—C6^i	140.3 (2)	C2—FE1—C13—C9	−119.1 (2)
U1—N1^i—SI1^i—C7^i	−99.2 (2)	C2—FE1—C13—C12	122.6 (2)
U1—N1^i—SI1^i—C8^i	21.9 (3)	C2—C1—FE1—C3	37.5 (2)
U1—N1^i—C1^i—FE1^i	−11.2 (3)	C2—C1—FE1—C4	81.5 (2)
U1—N1^i—C1^i—C2^i	80.9 (3)	C2—C1—FE1—C5	119.2 (2)
U1—N1^i—C1^i—C5^i	−102.1 (3)	C2—C1—FE1—C9	−109.1 (2)
U1—N2—SI2—C14	148.1 (2)	C2—C1—FE1—C10	−156.4 (2)
U1—N2—SI2—C15	−92.7 (2)	C2—C1—FE1—C11	154.2 (3)
U1—N2—SI2—C16	28.0 (3)	C2—C1—FE1—C12	10.1 (6)
U1—N2—C9—FE1	−15.7 (3)	C2—C1—FE1—C13	−61.9 (2)
U1—N2—C9—C10	75.0 (3)	C2—C1—C5—C4	1.8 (3)
U1—N2—C9—C13	−105.2 (3)	C2—C3—FE1—C4	−118.9 (3)
U1—N2^i—SI2^i—C14^i	148.1 (2)	C2—C3—FE1—C5	−81.2 (2)
U1—N2^i—SI2^i—C15^i	−92.7 (2)	C2—C3—FE1—C9	73.2 (3)
U1—N2^i—SI2^i—C16^i	28.0 (3)	C2—C3—FE1—C10	−178.9 (4)
U1—N2^i—C9^i—FE1^i	−15.7 (3)	C2—C3—FE1—C11	172.8 (2)
U1—N2^i—C9^i—C10^i	75.0 (3)	C2—C3—FE1—C12	136.3 (2)
U1—N2^i—C9^i—C13^i	−105.2 (3)	C2—C3—FE1—C13	95.6 (2)
FE1—C1—N1—SI1	169.2 (2)	C2—C3—C4—C5	0.3 (4)
FE1—C1—C2—C3	−58.9 (2)	C3—FE1—C1—C5	−81.7 (2)
FE1—C1—C5—C4	59.4 (2)	C3—FE1—C4—C5	118.9 (3)
FE1—C2—C1—N1	−125.2 (3)	C3—FE1—C5—C4	−38.0 (2)
FE1—C2—C1—C5	57.3 (2)	C3—FE1—C9—C10	152.4 (2)
FE1—C2—C3—C4	−59.8 (2)	C3—FE1—C9—C13	33.1 (3)
FE1—C3—C2—C1	60.6 (2)	C3—FE1—C10—C9	−130.6 (4)
FE1—C3—C4—C5	−60.4 (2)	C3—FE1—C10—C11	−11.0 (5)
FE1—C4—C3—C2	60.7 (2)	C3—FE1—C11—C10	176.0 (2)
FE1—C4—C5—C1	−61.2 (2)	C3—FE1—C11—C12	−65.1 (2)
FE1—C5—C1—N1	124.9 (3)	C3—FE1—C12—C11	128.6 (2)
FE1—C5—C1—C2	−57.6 (2)	C3—FE1—C12—C13	−112.5 (2)
FE1—C5—C4—C3	59.8 (2)	C3—FE1—C13—C9	−162.4 (2)
FE1—C9—N2—SI2	172.7 (2)	C3—FE1—C13—C12	79.3 (2)
FE1—C9—C10—C11	−59.0 (2)	C3—C2—FE1—C4	38.0 (2)
FE1—C9—C13—C12	60.0 (2)	C3—C2—FE1—C5	81.7 (2)
FE1—C10—C9—N2	−123.0 (3)	C3—C2—FE1—C9	−143.7 (2)
FE1—C10—C9—C13	57.1 (2)	C3—C2—FE1—C10	179.1 (3)
FE1—C10—C11—C12	−59.7 (2)	C3—C2—FE1—C11	−19.5 (5)
FE1—C11—C10—C9	60.5 (2)	C3—C2—FE1—C12	−57.7 (2)
FE1—C11—C12—C13	−60.1 (2)	C3—C2—FE1—C13	−100.7 (2)
FE1—C12—C11—C10	60.7 (2)	C3—C2—C1—C5	−1.6 (3)
FE1—C12—C13—C9	−61.9 (2)	C3—C4—FE1—C5	−118.9 (3)
FE1—C13—C9—N2	122.4 (3)	C3—C4—FE1—C9	149.1 (6)
FE1—C13—C9—C10	−57.8 (2)	C3—C4—FE1—C10	159.9 (2)
FE1—C13—C12—C11	60.2 (2)	C3—C4—FE1—C11	126.6 (2)
SI1—N1—U1—N1^i	−64.8 (2)	C3—C4—FE1—C12	85.3 (2)
SI1—N1—U1—N2	179.0 (2)	C3—C4—FE1—C13	57.7 (3)
SI1—N1—U1—N2^i	71.9 (2)	C4—FE1—C1—C5	−37.7 (2)
SI1—N1—C1—C2	−98.7 (3)	C4—FE1—C9—C10	13.2 (7)
SI1—N1—C1—C5	78.3 (3)	C4—FE1—C9—C13	−106.1 (6)
SI2—N2—U1—N1	−176.5 (2)	C4—FE1—C10—C9	−176.5 (2)
SI2—N2—U1—N1^i	69.0 (2)	C4—FE1—C10—C11	−56.8 (2)
SI2—N2—U1—N2^i	−65.5 (2)	C4—FE1—C11—C10	137.8 (2)
SI2—N2—C9—C10	−96.6 (3)	C4—FE1—C11—C12	−103.3 (2)
SI2—N2—C9—C13	83.1 (3)	C4—FE1—C12—C11	87.4 (2)
N1—U1—N1^i—C1^i	115.7 (2)	C4—FE1—C12—C13	−153.8 (2)
N1—U1—N2—C9	14.7 (2)	C4—FE1—C13—C9	161.1 (2)
N1—U1—N2^i—C9^i	−99.9 (2)	C4—FE1—C13—C12	42.8 (3)
N1—C1—FE1—C2	120.9 (3)	C4—C3—FE1—C5	37.7 (2)
N1—C1—FE1—C3	158.4 (3)	C4—C3—FE1—C9	−167.9 (2)
N1—C1—FE1—C4	−157.5 (3)	C4—C3—FE1—C10	−59.9 (5)
N1—C1—FE1—C5	−119.9 (3)	C4—C3—FE1—C11	−68.2 (2)
N1—C1—FE1—C9	11.8 (3)	C4—C3—FE1—C12	−104.8 (2)
N1—C1—FE1—C10	−35.5 (3)	C4—C3—FE1—C13	−145.4 (2)
N1—C1—FE1—C11	−84.9 (4)	C4—C5—FE1—C9	161.6 (2)
N1—C1—FE1—C12	131.0 (5)	C4—C5—FE1—C10	122.3 (2)
N1—C1—FE1—C13	59.0 (3)	C4—C5—FE1—C11	78.4 (2)
N1—C1—C2—C3	175.9 (3)	C4—C5—FE1—C12	39.7 (3)
N1—C1—C5—C4	−175.7 (3)	C4—C5—FE1—C13	−133 (2)
N2—U1—N1—C1	−0.5 (2)	C5—FE1—C9—C10	−64.8 (2)
N2—U1—N1^i—C1^i	−107.6 (2)	C5—FE1—C9—C13	175.9 (2)
N2—U1—N2^i—C9^i	125.7 (2)	C5—FE1—C10—C9	139.3 (2)
N2—C9—FE1—C1	8.5 (3)	C5—FE1—C10—C11	−101.0 (2)
N2—C9—FE1—C2	−38.9 (3)	C5—FE1—C11—C10	97.5 (2)
N2—C9—FE1—C3	−87.3 (4)	C5—FE1—C11—C12	−143.6 (2)
N2—C9—FE1—C4	133.6 (5)	C5—FE1—C12—C11	61.7 (3)
N2—C9—FE1—C5	55.5 (3)	C5—FE1—C12—C13	−179.5 (2)
N2—C9—FE1—C10	120.3 (3)	C5—FE1—C13—C9	−67 (2)
N2—C9—FE1—C11	157.5 (3)	C5—FE1—C13—C12	174 (2)
N2—C9—FE1—C12	−158.7 (3)	C5—C1—FE1—C9	131.7 (2)
N2—C9—FE1—C13	−120.4 (4)	C5—C1—FE1—C10	84.3 (2)
N2—C9—C10—C11	178.0 (3)	C5—C1—FE1—C11	35.0 (3)
N2—C9—C13—C12	−177.6 (3)	C5—C1—FE1—C12	−109.1 (5)
C1—FE1—C2—C3	119.4 (3)	C5—C1—FE1—C13	178.9 (2)
C1—FE1—C3—C2	−37.5 (2)	C5—C4—FE1—C9	−92.0 (6)
C1—FE1—C3—C4	81.5 (2)	C5—C4—FE1—C10	−81.3 (2)
C1—FE1—C4—C3	−81.2 (2)	C5—C4—FE1—C11	−114.5 (2)
C1—FE1—C4—C5	37.7 (2)	C5—C4—FE1—C12	−155.8 (2)
C1—FE1—C5—C4	−119.1 (3)	C5—C4—FE1—C13	176.6 (2)
C1—FE1—C9—C10	−111.8 (2)	C9—FE1—C10—C11	119.7 (3)
C1—FE1—C9—C13	128.9 (2)	C9—FE1—C11—C10	−37.2 (2)
C1—FE1—C10—C9	94.8 (2)	C9—FE1—C11—C12	81.7 (2)
C1—FE1—C10—C11	−145.6 (2)	C9—FE1—C12—C11	−80.9 (2)
C1—FE1—C11—C10	73.4 (3)	C9—FE1—C12—C13	37.9 (2)
C1—FE1—C11—C12	−167.7 (2)	C9—FE1—C13—C12	−118.3 (3)
C1—FE1—C12—C11	154.3 (5)	C9—N2—SI2—C14	−44.1 (3)
C1—FE1—C12—C13	−86.9 (5)	C9—N2—SI2—C15	75.2 (3)
C1—FE1—C13—C9	−81.6 (2)	C9—N2—SI2—C16	−164.2 (2)
C1—FE1—C13—C12	160.0 (2)	C9—C10—FE1—C11	−119.7 (3)
C1—N1—SI1—C6	−40.3 (3)	C9—C10—FE1—C12	−81.9 (2)
C1—N1—SI1—C7	80.2 (2)	C9—C10—FE1—C13	−37.6 (2)
C1—N1—SI1—C8	−158.7 (2)	C9—C10—C11—C12	0.8 (4)
C1—C2—FE1—C3	−119.4 (3)	C9—C13—FE1—C10	37.3 (2)
C1—C2—FE1—C4	−81.4 (2)	C9—C13—FE1—C11	80.7 (2)
C1—C2—FE1—C5	−37.6 (2)	C9—C13—FE1—C12	118.3 (3)
C1—C2—FE1—C9	96.9 (2)	C9—C13—C12—C11	−1.7 (4)
C1—C2—FE1—C10	59.7 (4)	C10—FE1—C9—C13	−119.3 (3)
C1—C2—FE1—C11	−138.9 (4)	C10—FE1—C11—C12	118.9 (3)
C1—C2—FE1—C12	−177.1 (2)	C10—FE1—C12—C11	−37.5 (2)
C1—C2—FE1—C13	139.9 (2)	C10—FE1—C12—C13	81.3 (2)
C1—C2—C3—C4	0.8 (4)	C10—FE1—C13—C12	−81.0 (2)
C1—C5—FE1—C2	37.5 (2)	C10—C9—FE1—C11	37.2 (2)
C1—C5—FE1—C3	81.2 (2)	C10—C9—FE1—C12	80.9 (2)
C1—C5—FE1—C4	119.1 (3)	C10—C9—FE1—C13	119.3 (3)
C1—C5—FE1—C9	−79.3 (2)	C10—C9—C13—C12	2.2 (3)
C1—C5—FE1—C10	−118.6 (2)	C10—C11—FE1—C12	−118.9 (3)
C1—C5—FE1—C11	−162.4 (2)	C10—C11—FE1—C13	−80.8 (2)
C1—C5—FE1—C12	158.8 (2)	C10—C11—C12—C13	0.6 (4)
C1—C5—FE1—C13	−14 (2)	C11—FE1—C9—C13	−82.1 (2)
C1—C5—C4—C3	−1.3 (3)	C11—FE1—C12—C13	118.8 (3)
C2—FE1—C1—C5	−119.2 (2)	C11—FE1—C13—C12	−37.7 (2)
C2—FE1—C3—C4	118.9 (3)	C11—C10—FE1—C12	37.8 (2)
C2—FE1—C4—C3	−37.6 (2)	C11—C10—FE1—C13	82.1 (2)
C2—FE1—C4—C5	81.3 (2)	C11—C10—C9—C13	−1.8 (3)
C2—FE1—C5—C4	−81.6 (2)	C11—C12—FE1—C13	−118.8 (3)
C2—FE1—C9—C10	−159.3 (2)	C12—FE1—C9—C13	−38.4 (2)
C2—FE1—C9—C13	81.4 (2)	C12—C11—FE1—C13	38.1 (2)

Symmetry code: (i) −x, y, −z+1/2.