[1-(2-Hydroxy­ethyl)-5-methyl­pyrazol-3-yl]ferrocenium chloride and [1-(2-hydroxy­ethyl)-5-methyl­pyrazol-3-yl]ferrocene cocrystal

The title compound, [Fe(C₅H₅)(C₁₁H₁₃N₂O)]·[Fe(C₅H₅)(C₁₁H₁₃N₂O)]Cl, cocrystallizes as (1–2-hydroxy­ethyl-5-methyl­pyrazol-3-yl)ferrocenium chloride–(1-2-hydroxy­ethyl-5-methyl­pyrazol-3-yl)ferrocene (1/1). Two independent pyrazolylferrocenes in the asymmetric unit, with similar geometric parameters, form an R₄⁴(24) tetra­mer via O—H...N hydrogen bonds and Cl⁻ ions occupy the spaces between the tetra­mer rings. This tetra­mer is linked via C—H...π hydrogen bonds, involving the cyclo­penta­dienyl rings as acceptors, into a [100] chain.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.010 Å
• Disorder in solvent or counterion
• R factor = 0.068
• wR factor = 0.189
• Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000)        2000 Deg.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C23
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C24
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe2
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C30
PLAT480_ALERT_4_C Long H...A H-Bond Reported H30A   ..  O2      ..       2.72 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
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: CAD-4 VAX/PC Fortran System (Enraf–Nonius, 1988); cell refinement: CAD-4 VAX/PC Fortran System; data reduction: XCAD4 (Harms & Wocadlo, 1997) in WinGX (Farrugia, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.

(1–2-hydroxyethyl-5-methylpyrazol-3-yl)ferrocenium chloride–(1–2-hydroxyethyl-5-methylpyrazol-3-yl)ferrocene (1/1)

Crystal data

[Fe(C5H5)(C11H13N2O)]·[Fe(C5H5)(C11H13N2O)]Cl	Z = 2
Mr = 655.80	F(000) = 682
Triclinic, P1	Dx = 1.417 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.161 (2) Å	Cell parameters from 25 reflections
b = 11.307 (1) Å	θ = 9–15°
c = 16.318 (1) Å	µ = 1.07 mm^−1
α = 80.05 (2)°	T = 295 K
β = 79.84 (2)°	Block, orange
γ = 68.49 (2)°	0.21 × 0.17 × 0.14 mm
V = 1537.1 (4) Å^3

Data collection

Enraf–Nonius CAD-4 diffractometer	3712 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.029
Graphite monochromator	θmax = 25.0°, θmin = 1.3°
ω/2θ scans	h = 0→10
Absorption correction: ψ scan (North et al., 1968)	k = −12→13
Tmin = 0.801, Tmax = 0.861	l = −19→19
5795 measured reflections	3 standard reflections every 120 min
5421 independent reflections	intensity decay: 0.1%

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.068	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.189	H-atom parameters constrained
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0991P)^2 + 0.2032P] where P = (Fo^2 + 2Fc^2)/3
5421 reflections	(Δ/σ)max < 0.001
384 parameters	Δρmax = 0.81 e Å^−3
0 restraints	Δρmin = −0.71 e Å^−3

Special details

Experimental. IR (KBr, cm^-1): 3180 (vs, HO). UV [λ_max, nm, (ε × 10⁴), in DMF]: 275.00 (1.14, B-band), 338.00 (0.028, R-band), 445.00 (0.028, d–d band).

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Fe1	0.82772 (9)	0.94020 (7)	0.15928 (5)	0.0392 (2)
Fe2	1.11998 (9)	0.31002 (8)	0.20478 (5)	0.0384 (2)
Cl1	0.1458 (5)	0.5383 (8)	0.4859 (3)	0.129 (3)	0.681 (12)
Cl1'	0.118 (3)	0.4418 (11)	0.5067 (8)	0.187 (9)	0.319 (12)
O1	0.5832 (6)	0.4444 (5)	0.2891 (3)	0.0757 (14)
H1O	0.6593	0.3844	0.3103	0.091*
O2	0.5867 (6)	0.1063 (4)	0.5836 (3)	0.0708 (14)
H2O	0.5728	0.1349	0.6303	0.085*
N1	0.4761 (5)	0.8132 (4)	0.2530 (3)	0.0435 (11)
N2	0.4331 (5)	0.7163 (4)	0.2375 (3)	0.0455 (11)
N3	0.7927 (5)	0.2337 (4)	0.3760 (3)	0.0412 (11)
N4	0.7426 (5)	0.1330 (4)	0.4083 (3)	0.0418 (11)
C1	0.5930 (6)	0.9640 (5)	0.1702 (3)	0.0404 (13)
C2	0.6244 (6)	1.0169 (5)	0.2361 (4)	0.0464 (14)
H2	0.6063	0.9919	0.2932	0.056*
C3	0.6874 (7)	1.1135 (5)	0.1997 (4)	0.0497 (15)
H3	0.7165	1.1635	0.2287	0.060*
C4	0.6985 (7)	1.1209 (6)	0.1127 (4)	0.0523 (15)
H4	0.7367	1.1767	0.0740	0.063*
C5	0.6419 (6)	1.0294 (5)	0.0932 (3)	0.0436 (13)
H5	0.6373	1.0143	0.0396	0.052*
C6	0.9788 (8)	0.7976 (7)	0.2285 (4)	0.069 (2)
H6	0.9583	0.7739	0.2856	0.082*
C7	1.0505 (8)	0.8876 (7)	0.1928 (5)	0.0671 (19)
H7	1.0861	0.9338	0.2217	0.080*
C8	1.0586 (7)	0.8954 (7)	0.1063 (4)	0.0619 (18)
H8	1.1004	0.9483	0.0670	0.074*
C9	0.9929 (7)	0.8096 (6)	0.0883 (4)	0.0588 (17)
H9	0.9846	0.7962	0.0350	0.071*
C10	0.9422 (7)	0.7481 (6)	0.1632 (5)	0.0614 (18)
H10	0.8941	0.6870	0.1694	0.074*
C11	0.5329 (6)	0.8591 (5)	0.1788 (3)	0.0400 (13)
C12	0.5255 (7)	0.7927 (6)	0.1162 (4)	0.0510 (15)
H12	0.5572	0.8069	0.0592	0.061*
C13	0.4623 (7)	0.7024 (6)	0.1555 (4)	0.0542 (16)
C14	0.4260 (9)	0.6018 (7)	0.1194 (5)	0.074 (2)
H14A	0.4761	0.5188	0.1483	0.110*
H14B	0.4655	0.6025	0.0608	0.110*
H14C	0.3138	0.6209	0.1263	0.110*
C15	0.3744 (7)	0.6415 (6)	0.3070 (4)	0.0563 (16)
H15A	0.3065	0.6061	0.2876	0.068*
H15B	0.3113	0.6967	0.3492	0.068*
C16	0.5072 (8)	0.5336 (6)	0.3460 (4)	0.0643 (18)
H16A	0.5820	0.5671	0.3600	0.077*
H16B	0.4650	0.4928	0.3971	0.077*
C17	1.0456 (6)	0.2617 (5)	0.3272 (3)	0.0397 (13)
C18	0.9916 (7)	0.3957 (6)	0.3070 (3)	0.0462 (14)
H18	0.8864	0.4495	0.3107	0.055*
C19	1.1244 (7)	0.4346 (6)	0.2801 (4)	0.0497 (15)
H19	1.1214	0.5183	0.2633	0.060*
C20	1.2624 (7)	0.3241 (6)	0.2831 (4)	0.0534 (16)
H20	1.3659	0.3225	0.2690	0.064*
C21	1.2148 (7)	0.2156 (6)	0.3115 (3)	0.0476 (14)
H21	1.2814	0.1306	0.3185	0.057*
C22	1.0372 (9)	0.2278 (7)	0.1313 (4)	0.0625 (18)
H22	0.9754	0.1767	0.1499	0.075*
C23	0.9809 (9)	0.3639 (8)	0.1119 (4)	0.079 (2)
H23	0.8756	0.4174	0.1156	0.095*
C24	1.1143 (12)	0.4035 (9)	0.0859 (4)	0.081 (2)
H24	1.1133	0.4868	0.0701	0.098*
C25	1.2466 (10)	0.2918 (8)	0.0890 (4)	0.075 (2)
H25	1.3504	0.2890	0.0741	0.090*
C26	1.2024 (9)	0.1855 (8)	0.1173 (4)	0.0672 (19)
H26	1.2704	0.1012	0.1256	0.081*
C27	0.9492 (6)	0.1806 (5)	0.3615 (3)	0.0379 (12)
C28	0.9985 (7)	0.0493 (5)	0.3854 (3)	0.0436 (13)
H28	1.1019	−0.0081	0.3817	0.052*
C29	0.8628 (7)	0.0214 (5)	0.4157 (3)	0.0397 (13)
C30	0.8425 (8)	−0.1031 (6)	0.4509 (4)	0.0572 (16)
H30A	0.7908	−0.0978	0.5074	0.086*
H30B	0.9442	−0.1698	0.4506	0.086*
H30C	0.7793	−0.1219	0.4173	0.086*
C31	0.5751 (7)	0.1609 (6)	0.4374 (4)	0.0496 (15)
H31A	0.5499	0.0841	0.4400	0.060*
H31B	0.5136	0.2255	0.3974	0.060*
C32	0.5293 (8)	0.2076 (6)	0.5224 (4)	0.0560 (16)
H32A	0.5726	0.2737	0.5235	0.067*
H32B	0.4151	0.2442	0.5336	0.067*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.0297 (4)	0.0489 (5)	0.0370 (4)	−0.0120 (4)	−0.0013 (3)	−0.0066 (3)
Fe2	0.0315 (4)	0.0509 (5)	0.0347 (4)	−0.0194 (4)	−0.0031 (3)	0.0008 (3)
Cl1	0.087 (3)	0.188 (8)	0.107 (3)	−0.054 (3)	0.031 (2)	−0.035 (3)
Cl1'	0.33 (2)	0.077 (7)	0.112 (8)	−0.022 (9)	−0.009 (10)	−0.022 (6)
O1	0.068 (3)	0.063 (3)	0.087 (4)	−0.007 (3)	−0.031 (3)	0.000 (3)
O2	0.089 (4)	0.069 (3)	0.043 (2)	−0.020 (3)	0.001 (3)	−0.003 (2)
N1	0.036 (3)	0.057 (3)	0.042 (3)	−0.023 (2)	−0.004 (2)	−0.003 (2)
N2	0.037 (3)	0.049 (3)	0.052 (3)	−0.020 (2)	−0.006 (2)	−0.002 (2)
N3	0.036 (3)	0.049 (3)	0.037 (2)	−0.019 (2)	−0.001 (2)	0.005 (2)
N4	0.040 (3)	0.055 (3)	0.036 (2)	−0.028 (2)	−0.002 (2)	0.004 (2)
C1	0.027 (3)	0.048 (3)	0.041 (3)	−0.012 (2)	−0.002 (2)	0.002 (2)
C2	0.036 (3)	0.056 (4)	0.042 (3)	−0.014 (3)	0.007 (3)	−0.009 (3)
C3	0.041 (3)	0.042 (3)	0.062 (4)	−0.011 (3)	0.005 (3)	−0.015 (3)
C4	0.040 (3)	0.049 (4)	0.063 (4)	−0.017 (3)	−0.005 (3)	0.010 (3)
C5	0.030 (3)	0.059 (4)	0.036 (3)	−0.012 (3)	−0.005 (2)	0.004 (3)
C6	0.054 (4)	0.076 (5)	0.050 (4)	0.006 (4)	−0.009 (3)	−0.003 (3)
C7	0.043 (4)	0.079 (5)	0.081 (5)	−0.013 (4)	−0.021 (4)	−0.017 (4)
C8	0.030 (3)	0.078 (5)	0.070 (5)	−0.012 (3)	0.001 (3)	−0.011 (4)
C9	0.045 (4)	0.066 (4)	0.056 (4)	−0.003 (3)	−0.008 (3)	−0.021 (3)
C10	0.043 (4)	0.041 (3)	0.091 (5)	−0.001 (3)	−0.016 (4)	−0.007 (3)
C11	0.025 (3)	0.052 (3)	0.041 (3)	−0.016 (2)	−0.001 (2)	0.002 (3)
C12	0.050 (4)	0.071 (4)	0.037 (3)	−0.031 (3)	−0.003 (3)	−0.002 (3)
C13	0.044 (3)	0.062 (4)	0.062 (4)	−0.018 (3)	−0.012 (3)	−0.014 (3)
C14	0.075 (5)	0.081 (5)	0.082 (5)	−0.037 (4)	−0.020 (4)	−0.022 (4)
C15	0.036 (3)	0.057 (4)	0.073 (4)	−0.019 (3)	0.002 (3)	−0.004 (3)
C16	0.054 (4)	0.068 (4)	0.068 (4)	−0.022 (4)	−0.009 (3)	0.004 (4)
C17	0.034 (3)	0.057 (4)	0.031 (3)	−0.023 (3)	0.000 (2)	0.000 (2)
C18	0.039 (3)	0.057 (4)	0.048 (3)	−0.024 (3)	0.003 (3)	−0.011 (3)
C19	0.052 (4)	0.057 (4)	0.050 (3)	−0.033 (3)	−0.003 (3)	−0.003 (3)
C20	0.039 (3)	0.078 (4)	0.052 (4)	−0.033 (3)	−0.015 (3)	0.008 (3)
C21	0.039 (3)	0.059 (4)	0.043 (3)	−0.019 (3)	−0.008 (3)	0.008 (3)
C22	0.068 (5)	0.086 (5)	0.050 (4)	−0.043 (4)	−0.011 (3)	−0.013 (4)
C23	0.059 (5)	0.112 (7)	0.056 (4)	−0.004 (5)	−0.032 (4)	−0.017 (4)
C24	0.118 (7)	0.093 (6)	0.040 (4)	−0.052 (6)	−0.013 (4)	0.014 (4)
C25	0.079 (6)	0.112 (7)	0.046 (4)	−0.056 (5)	0.028 (4)	−0.025 (4)
C26	0.060 (5)	0.082 (5)	0.059 (4)	−0.022 (4)	0.004 (3)	−0.025 (4)
C27	0.035 (3)	0.052 (3)	0.029 (3)	−0.019 (3)	−0.004 (2)	−0.002 (2)
C28	0.035 (3)	0.049 (3)	0.041 (3)	−0.010 (3)	−0.004 (2)	−0.002 (3)
C29	0.045 (3)	0.045 (3)	0.035 (3)	−0.023 (3)	−0.008 (2)	0.001 (2)
C30	0.067 (4)	0.053 (4)	0.056 (4)	−0.028 (3)	−0.012 (3)	0.005 (3)
C31	0.038 (3)	0.068 (4)	0.047 (3)	−0.030 (3)	−0.007 (3)	0.009 (3)
C32	0.047 (4)	0.062 (4)	0.057 (4)	−0.022 (3)	0.006 (3)	−0.005 (3)

Geometric parameters (Å, º)

Fe1—C6	2.019 (7)	C8—H8	0.9300
Fe1—C5	2.022 (5)	C9—C10	1.391 (9)
Fe1—C10	2.031 (6)	C9—H9	0.9300
Fe1—C9	2.036 (6)	C10—H10	0.9300
Fe1—C2	2.040 (5)	C11—C12	1.392 (8)
Fe1—C4	2.040 (6)	C12—C13	1.365 (8)
Fe1—C1	2.045 (5)	C12—H12	0.9300
Fe1—C8	2.049 (6)	C13—C14	1.526 (8)
Fe1—C7	2.052 (6)	C14—H14A	0.9600
Fe1—C3	2.056 (5)	C14—H14B	0.9600
Fe2—C23	2.021 (6)	C14—H14C	0.9600
Fe2—C22	2.025 (6)	C15—C16	1.514 (8)
Fe2—C26	2.030 (7)	C15—H15A	0.9700
Fe2—C18	2.033 (5)	C15—H15B	0.9700
Fe2—C21	2.034 (6)	C16—H16A	0.9700
Fe2—C25	2.035 (6)	C16—H16B	0.9700
Fe2—C19	2.038 (6)	C17—C18	1.408 (7)
Fe2—C24	2.041 (7)	C17—C21	1.434 (7)
Fe2—C20	2.042 (6)	C17—C27	1.475 (7)
Fe2—C17	2.042 (5)	C18—C19	1.415 (7)
Cl1'—Cl1'^i	2.10 (4)	C18—H18	0.9300
O1—C16	1.393 (8)	C19—C20	1.416 (8)
O1—H1O	0.8501	C19—H19	0.9300
O2—C32	1.390 (7)	C20—C21	1.425 (8)
O2—H2O	0.8501	C20—H20	0.9300
N1—C11	1.328 (6)	C21—H21	0.9300
N1—N2	1.366 (6)	C22—C26	1.399 (9)
N2—C13	1.342 (8)	C22—C23	1.430 (10)
N2—C15	1.441 (7)	C22—H22	0.9300
N3—C27	1.330 (7)	C23—C24	1.422 (11)
N3—N4	1.369 (6)	C23—H23	0.9300
N4—C29	1.339 (7)	C24—C25	1.394 (11)
N4—C31	1.456 (7)	C24—H24	0.9300
C1—C5	1.431 (7)	C25—C26	1.386 (10)
C1—C2	1.433 (8)	C25—H25	0.9300
C1—C11	1.458 (7)	C26—H26	0.9300
C2—C3	1.413 (8)	C27—C28	1.389 (7)
C2—H2	0.9300	C28—C29	1.381 (7)
C3—C4	1.395 (8)	C28—H28	0.9300
C3—H3	0.9300	C29—C30	1.490 (7)
C4—C5	1.417 (8)	C30—H30A	0.9600
C4—H4	0.9300	C30—H30B	0.9600
C5—H5	0.9300	C30—H30C	0.9600
C6—C7	1.399 (10)	C31—C32	1.504 (8)
C6—C10	1.425 (10)	C31—H31A	0.9700
C6—H6	0.9300	C31—H31B	0.9700
C7—C8	1.390 (9)	C32—H32A	0.9700
C7—H7	0.9300	C32—H32B	0.9700
C8—C9	1.406 (9)
C6—Fe1—C5	158.0 (3)	C8—C7—Fe1	70.1 (4)
C6—Fe1—C10	41.2 (3)	C6—C7—Fe1	68.6 (4)
C5—Fe1—C10	120.8 (3)	C8—C7—H7	126.3
C6—Fe1—C9	67.4 (3)	C6—C7—H7	126.3
C5—Fe1—C9	107.0 (2)	Fe1—C7—H7	126.5
C10—Fe1—C9	40.0 (3)	C7—C8—C9	108.4 (7)
C6—Fe1—C2	107.9 (3)	C7—C8—Fe1	70.3 (4)
C5—Fe1—C2	68.7 (2)	C9—C8—Fe1	69.3 (4)
C10—Fe1—C2	121.9 (3)	C7—C8—H8	125.8
C9—Fe1—C2	157.6 (3)	C9—C8—H8	125.8
C6—Fe1—C4	159.8 (3)	Fe1—C8—H8	126.1
C5—Fe1—C4	40.8 (2)	C10—C9—C8	109.1 (6)
C10—Fe1—C4	158.1 (3)	C10—C9—Fe1	69.8 (4)
C9—Fe1—C4	124.1 (3)	C8—C9—Fe1	70.4 (4)
C2—Fe1—C4	67.8 (2)	C10—C9—H9	125.5
C6—Fe1—C1	121.9 (3)	C8—C9—H9	125.5
C5—Fe1—C1	41.2 (2)	Fe1—C9—H9	125.9
C10—Fe1—C1	104.9 (3)	C9—C10—C6	106.1 (6)
C9—Fe1—C1	121.2 (3)	C9—C10—Fe1	70.2 (4)
C2—Fe1—C1	41.1 (2)	C6—C10—Fe1	68.9 (4)
C4—Fe1—C1	68.8 (2)	C9—C10—H10	126.9
C6—Fe1—C8	67.1 (3)	C6—C10—H10	126.9
C5—Fe1—C8	123.4 (3)	Fe1—C10—H10	125.6
C10—Fe1—C8	67.9 (3)	N1—C11—C12	110.3 (5)
C9—Fe1—C8	40.3 (3)	N1—C11—C1	121.5 (5)
C2—Fe1—C8	160.2 (3)	C12—C11—C1	128.2 (5)
C4—Fe1—C8	109.8 (3)	C13—C12—C11	106.2 (5)
C1—Fe1—C8	158.2 (3)	C13—C12—H12	126.9
C6—Fe1—C7	40.2 (3)	C11—C12—H12	126.9
C5—Fe1—C7	159.4 (3)	N2—C13—C12	106.9 (5)
C10—Fe1—C7	68.5 (3)	N2—C13—C14	123.0 (6)
C9—Fe1—C7	67.4 (3)	C12—C13—C14	130.1 (6)
C2—Fe1—C7	124.2 (3)	C13—C14—H14A	109.5
C4—Fe1—C7	124.6 (3)	C13—C14—H14B	109.5
C1—Fe1—C7	159.0 (3)	H14A—C14—H14B	109.5
C8—Fe1—C7	39.6 (3)	C13—C14—H14C	109.5
C6—Fe1—C3	124.2 (3)	H14A—C14—H14C	109.5
C5—Fe1—C3	68.1 (2)	H14B—C14—H14C	109.5
C10—Fe1—C3	159.1 (3)	N2—C15—C16	111.9 (5)
C9—Fe1—C3	160.3 (3)	N2—C15—H15A	109.2
C2—Fe1—C3	40.4 (2)	C16—C15—H15A	109.2
C4—Fe1—C3	39.8 (2)	N2—C15—H15B	109.2
C1—Fe1—C3	68.5 (2)	C16—C15—H15B	109.2
C8—Fe1—C3	125.3 (3)	H15A—C15—H15B	107.9
C7—Fe1—C3	110.1 (3)	O1—C16—C15	109.1 (6)
C23—Fe2—C22	41.4 (3)	O1—C16—H16A	109.9
C23—Fe2—C26	68.5 (3)	C15—C16—H16A	109.9
C22—Fe2—C26	40.4 (3)	O1—C16—H16B	109.9
C23—Fe2—C18	108.3 (3)	C15—C16—H16B	109.9
C22—Fe2—C18	124.3 (3)	H16A—C16—H16B	108.3
C26—Fe2—C18	160.1 (3)	C18—C17—C21	107.9 (5)
C23—Fe2—C21	160.1 (3)	C18—C17—C27	127.4 (5)
C22—Fe2—C21	122.7 (3)	C21—C17—C27	124.7 (5)
C26—Fe2—C21	107.1 (3)	C18—C17—Fe2	69.4 (3)
C18—Fe2—C21	68.8 (2)	C21—C17—Fe2	69.1 (3)
C23—Fe2—C25	67.3 (3)	C27—C17—Fe2	128.6 (4)
C22—Fe2—C25	67.3 (3)	C17—C18—C19	108.6 (5)
C26—Fe2—C25	39.9 (3)	C17—C18—Fe2	70.1 (3)
C18—Fe2—C25	158.7 (3)	C19—C18—Fe2	69.8 (3)
C21—Fe2—C25	122.6 (3)	C17—C18—H18	125.7
C23—Fe2—C19	122.8 (3)	C19—C18—H18	125.7
C22—Fe2—C19	160.1 (3)	Fe2—C18—H18	125.9
C26—Fe2—C19	157.7 (3)	C18—C19—C20	108.1 (5)
C18—Fe2—C19	40.7 (2)	C18—C19—Fe2	69.5 (3)
C21—Fe2—C19	68.8 (3)	C20—C19—Fe2	69.8 (3)
C25—Fe2—C19	122.6 (3)	C18—C19—H19	126.0
C23—Fe2—C24	41.0 (3)	C20—C19—H19	126.0
C22—Fe2—C24	69.2 (3)	Fe2—C19—H19	126.3
C26—Fe2—C24	68.4 (3)	C19—C20—C21	108.1 (5)
C18—Fe2—C24	122.9 (3)	C19—C20—Fe2	69.5 (3)
C21—Fe2—C24	157.3 (3)	C21—C20—Fe2	69.2 (3)
C25—Fe2—C24	40.0 (3)	C19—C20—H20	126.0
C19—Fe2—C24	106.5 (3)	C21—C20—H20	126.0
C23—Fe2—C20	158.0 (3)	Fe2—C20—H20	126.8
C22—Fe2—C20	158.3 (3)	C20—C21—C17	107.3 (5)
C26—Fe2—C20	122.0 (3)	C20—C21—Fe2	69.8 (3)
C18—Fe2—C20	68.5 (2)	C17—C21—Fe2	69.7 (3)
C21—Fe2—C20	40.9 (2)	C20—C21—H21	126.3
C25—Fe2—C20	107.3 (3)	C17—C21—H21	126.3
C19—Fe2—C20	40.6 (2)	Fe2—C21—H21	125.7
C24—Fe2—C20	121.1 (3)	C26—C22—C23	107.4 (7)
C23—Fe2—C17	123.9 (3)	C26—C22—Fe2	70.0 (4)
C22—Fe2—C17	108.6 (2)	C23—C22—Fe2	69.2 (4)
C26—Fe2—C17	123.9 (3)	C26—C22—H22	126.3
C18—Fe2—C17	40.4 (2)	C23—C22—H22	126.3
C21—Fe2—C17	41.2 (2)	Fe2—C22—H22	126.1
C25—Fe2—C17	159.4 (3)	C24—C23—C22	108.1 (7)
C19—Fe2—C17	68.4 (2)	C24—C23—Fe2	70.3 (4)
C24—Fe2—C17	159.6 (3)	C22—C23—Fe2	69.5 (4)
C20—Fe2—C17	68.7 (2)	C24—C23—H23	126.0
C16—O1—H1O	109.5	C22—C23—H23	126.0
C32—O2—H2O	109.5	Fe2—C23—H23	125.9
C11—N1—N2	105.5 (4)	C25—C24—C23	105.9 (7)
C13—N2—N1	111.1 (5)	C25—C24—Fe2	69.8 (4)
C13—N2—C15	129.6 (5)	C23—C24—Fe2	68.7 (4)
N1—N2—C15	119.1 (5)	C25—C24—H24	127.0
C27—N3—N4	104.4 (4)	C23—C24—H24	127.0
C29—N4—N3	112.5 (4)	Fe2—C24—H24	126.0
C29—N4—C31	129.1 (5)	C26—C25—C24	110.9 (7)
N3—N4—C31	118.0 (5)	C26—C25—Fe2	69.9 (4)
C5—C1—C2	106.3 (5)	C24—C25—Fe2	70.2 (4)
C5—C1—C11	126.3 (5)	C26—C25—H25	124.6
C2—C1—C11	127.3 (5)	C24—C25—H25	124.6
C5—C1—Fe1	68.5 (3)	Fe2—C25—H25	126.9
C2—C1—Fe1	69.3 (3)	C25—C26—C22	107.7 (7)
C11—C1—Fe1	124.0 (4)	C25—C26—Fe2	70.3 (4)
C3—C2—C1	108.5 (5)	C22—C26—Fe2	69.6 (4)
C3—C2—Fe1	70.4 (3)	C25—C26—H26	126.1
C1—C2—Fe1	69.7 (3)	C22—C26—H26	126.1
C3—C2—H2	125.8	Fe2—C26—H26	125.6
C1—C2—H2	125.8	N3—C27—C28	111.1 (5)
Fe1—C2—H2	125.7	N3—C27—C17	119.9 (5)
C4—C3—C2	108.4 (5)	C28—C27—C17	128.9 (5)
C4—C3—Fe1	69.5 (3)	C29—C28—C27	106.1 (5)
C2—C3—Fe1	69.2 (3)	C29—C28—H28	127.0
C4—C3—H3	125.8	C27—C28—H28	127.0
C2—C3—H3	125.8	N4—C29—C28	105.9 (5)
Fe1—C3—H3	127.1	N4—C29—C30	123.9 (5)
C3—C4—C5	108.6 (5)	C28—C29—C30	130.2 (5)
C3—C4—Fe1	70.7 (3)	C29—C30—H30A	109.5
C5—C4—Fe1	68.9 (3)	C29—C30—H30B	109.5
C3—C4—H4	125.7	H30A—C30—H30B	109.5
C5—C4—H4	125.7	C29—C30—H30C	109.5
Fe1—C4—H4	126.3	H30A—C30—H30C	109.5
C4—C5—C1	108.2 (5)	H30B—C30—H30C	109.5
C4—C5—Fe1	70.3 (3)	N4—C31—C32	112.3 (5)
C1—C5—Fe1	70.3 (3)	N4—C31—H31A	109.1
C4—C5—H5	125.9	C32—C31—H31A	109.1
C1—C5—H5	125.9	N4—C31—H31B	109.1
Fe1—C5—H5	125.2	C32—C31—H31B	109.1
C7—C6—C10	109.0 (6)	H31A—C31—H31B	107.9
C7—C6—Fe1	71.2 (4)	O2—C32—C31	109.8 (5)
C10—C6—Fe1	69.9 (4)	O2—C32—H32A	109.7
C7—C6—H6	125.5	C31—C32—H32A	109.7
C10—C6—H6	125.5	O2—C32—H32B	109.7
Fe1—C6—H6	125.1	C31—C32—H32B	109.7
C8—C7—C6	107.4 (6)	H32A—C32—H32B	108.2
C11—N1—N2—C13	−0.1 (6)	N2—C15—C16—O1	−67.6 (7)
C11—N1—N2—C15	176.6 (5)	C23—Fe2—C17—C18	−78.2 (5)
C27—N3—N4—C29	1.5 (6)	C22—Fe2—C17—C18	−121.5 (4)
C27—N3—N4—C31	175.1 (4)	C26—Fe2—C17—C18	−163.5 (4)
C6—Fe1—C1—C5	−161.3 (4)	C21—Fe2—C17—C18	119.7 (5)
C10—Fe1—C1—C5	−120.0 (4)	C25—Fe2—C17—C18	163.9 (7)
C9—Fe1—C1—C5	−80.0 (4)	C19—Fe2—C17—C18	37.6 (3)
C2—Fe1—C1—C5	118.1 (5)	C24—Fe2—C17—C18	−41.4 (9)
C4—Fe1—C1—C5	37.9 (4)	C20—Fe2—C17—C18	81.4 (4)
C8—Fe1—C1—C5	−52.6 (8)	C23—Fe2—C17—C21	162.2 (4)
C7—Fe1—C1—C5	171.2 (7)	C22—Fe2—C17—C21	118.9 (4)
C3—Fe1—C1—C5	80.8 (4)	C26—Fe2—C17—C21	76.8 (4)
C6—Fe1—C1—C2	80.6 (4)	C18—Fe2—C17—C21	−119.7 (5)
C5—Fe1—C1—C2	−118.1 (5)	C25—Fe2—C17—C21	44.2 (9)
C10—Fe1—C1—C2	121.8 (4)	C19—Fe2—C17—C21	−82.1 (4)
C9—Fe1—C1—C2	161.9 (4)	C24—Fe2—C17—C21	−161.1 (8)
C4—Fe1—C1—C2	−80.2 (4)	C20—Fe2—C17—C21	−38.3 (4)
C8—Fe1—C1—C2	−170.7 (6)	C23—Fe2—C17—C27	43.8 (6)
C7—Fe1—C1—C2	53.1 (8)	C22—Fe2—C17—C27	0.5 (6)
C3—Fe1—C1—C2	−37.3 (3)	C26—Fe2—C17—C27	−41.5 (6)
C6—Fe1—C1—C11	−41.2 (6)	C18—Fe2—C17—C27	122.0 (6)
C5—Fe1—C1—C11	120.1 (6)	C21—Fe2—C17—C27	−118.3 (6)
C10—Fe1—C1—C11	0.1 (5)	C25—Fe2—C17—C27	−74.1 (9)
C9—Fe1—C1—C11	40.2 (6)	C19—Fe2—C17—C27	159.6 (6)
C2—Fe1—C1—C11	−121.7 (6)	C24—Fe2—C17—C27	80.6 (10)
C4—Fe1—C1—C11	158.1 (5)	C20—Fe2—C17—C27	−156.6 (6)
C8—Fe1—C1—C11	67.5 (9)	C21—C17—C18—C19	−0.9 (6)
C7—Fe1—C1—C11	−68.6 (9)	C27—C17—C18—C19	177.1 (5)
C3—Fe1—C1—C11	−159.0 (5)	Fe2—C17—C18—C19	−59.5 (4)
C5—C1—C2—C3	1.2 (6)	C21—C17—C18—Fe2	58.6 (4)
C11—C1—C2—C3	177.6 (5)	C27—C17—C18—Fe2	−123.4 (5)
Fe1—C1—C2—C3	60.0 (4)	C23—Fe2—C18—C17	121.2 (4)
C5—C1—C2—Fe1	−58.8 (4)	C22—Fe2—C18—C17	78.1 (4)
C11—C1—C2—Fe1	117.6 (5)	C26—Fe2—C18—C17	43.9 (9)
C6—Fe1—C2—C3	122.3 (4)	C21—Fe2—C18—C17	−37.9 (3)
C5—Fe1—C2—C3	−80.8 (4)	C25—Fe2—C18—C17	−164.4 (8)
C10—Fe1—C2—C3	165.3 (4)	C19—Fe2—C18—C17	−119.6 (5)
C9—Fe1—C2—C3	−163.7 (6)	C24—Fe2—C18—C17	164.0 (4)
C4—Fe1—C2—C3	−36.7 (4)	C20—Fe2—C18—C17	−82.0 (4)
C1—Fe1—C2—C3	−119.4 (5)	C23—Fe2—C18—C19	−119.3 (4)
C8—Fe1—C2—C3	50.5 (9)	C22—Fe2—C18—C19	−162.3 (4)
C7—Fe1—C2—C3	80.9 (5)	C26—Fe2—C18—C19	163.4 (8)
C6—Fe1—C2—C1	−118.4 (4)	C21—Fe2—C18—C19	81.7 (4)
C5—Fe1—C2—C1	38.5 (3)	C25—Fe2—C18—C19	−44.8 (9)
C10—Fe1—C2—C1	−75.3 (4)	C24—Fe2—C18—C19	−76.4 (5)
C9—Fe1—C2—C1	−44.3 (8)	C20—Fe2—C18—C19	37.6 (4)
C4—Fe1—C2—C1	82.6 (4)	C17—Fe2—C18—C19	119.6 (5)
C8—Fe1—C2—C1	169.8 (7)	C17—C18—C19—C20	0.3 (7)
C7—Fe1—C2—C1	−159.7 (4)	Fe2—C18—C19—C20	−59.4 (4)
C3—Fe1—C2—C1	119.4 (5)	C17—C18—C19—Fe2	59.7 (4)
C1—C2—C3—C4	−0.9 (6)	C23—Fe2—C19—C18	79.9 (5)
Fe1—C2—C3—C4	58.6 (4)	C22—Fe2—C19—C18	47.5 (9)
C1—C2—C3—Fe1	−59.5 (4)	C26—Fe2—C19—C18	−165.2 (7)
C6—Fe1—C3—C4	163.0 (4)	C21—Fe2—C19—C18	−81.8 (4)
C5—Fe1—C3—C4	−37.7 (3)	C25—Fe2—C19—C18	162.3 (4)
C10—Fe1—C3—C4	−157.3 (7)	C24—Fe2—C19—C18	121.7 (4)
C9—Fe1—C3—C4	41.4 (9)	C20—Fe2—C19—C18	−119.4 (5)
C2—Fe1—C3—C4	−120.1 (5)	C17—Fe2—C19—C18	−37.4 (3)
C1—Fe1—C3—C4	−82.2 (4)	C23—Fe2—C19—C20	−160.7 (4)
C8—Fe1—C3—C4	78.5 (5)	C22—Fe2—C19—C20	166.9 (7)
C7—Fe1—C3—C4	120.3 (4)	C26—Fe2—C19—C20	−45.8 (9)
C6—Fe1—C3—C2	−76.8 (5)	C18—Fe2—C19—C20	119.4 (5)
C5—Fe1—C3—C2	82.4 (4)	C21—Fe2—C19—C20	37.6 (3)
C10—Fe1—C3—C2	−37.2 (9)	C25—Fe2—C19—C20	−78.3 (5)
C9—Fe1—C3—C2	161.5 (7)	C24—Fe2—C19—C20	−118.9 (4)
C4—Fe1—C3—C2	120.1 (5)	C17—Fe2—C19—C20	82.0 (4)
C1—Fe1—C3—C2	38.0 (3)	C18—C19—C20—C21	0.4 (7)
C8—Fe1—C3—C2	−161.3 (4)	Fe2—C19—C20—C21	−58.7 (4)
C7—Fe1—C3—C2	−119.5 (4)	C18—C19—C20—Fe2	59.1 (4)
C2—C3—C4—C5	0.2 (7)	C23—Fe2—C20—C19	48.1 (9)
Fe1—C3—C4—C5	58.7 (4)	C22—Fe2—C20—C19	−168.0 (6)
C2—C3—C4—Fe1	−58.4 (4)	C26—Fe2—C20—C19	161.3 (4)
C6—Fe1—C4—C3	−44.3 (9)	C18—Fe2—C20—C19	−37.6 (3)
C5—Fe1—C4—C3	119.8 (5)	C21—Fe2—C20—C19	−119.7 (5)
C10—Fe1—C4—C3	158.4 (7)	C25—Fe2—C20—C19	120.2 (4)
C9—Fe1—C4—C3	−164.4 (4)	C24—Fe2—C20—C19	78.8 (5)
C2—Fe1—C4—C3	37.2 (4)	C17—Fe2—C20—C19	−81.2 (4)
C1—Fe1—C4—C3	81.6 (4)	C23—Fe2—C20—C21	167.8 (7)
C8—Fe1—C4—C3	−121.7 (4)	C22—Fe2—C20—C21	−48.3 (8)
C7—Fe1—C4—C3	−79.9 (5)	C26—Fe2—C20—C21	−79.0 (4)
C6—Fe1—C4—C5	−164.2 (7)	C18—Fe2—C20—C21	82.1 (4)
C10—Fe1—C4—C5	38.6 (8)	C25—Fe2—C20—C21	−120.1 (4)
C9—Fe1—C4—C5	75.8 (4)	C19—Fe2—C20—C21	119.7 (5)
C2—Fe1—C4—C5	−82.6 (4)	C24—Fe2—C20—C21	−161.5 (4)
C1—Fe1—C4—C5	−38.3 (3)	C17—Fe2—C20—C21	38.5 (3)
C8—Fe1—C4—C5	118.5 (4)	C19—C20—C21—C17	−1.0 (7)
C7—Fe1—C4—C5	160.3 (4)	Fe2—C20—C21—C17	−59.9 (4)
C3—Fe1—C4—C5	−119.8 (5)	C19—C20—C21—Fe2	58.9 (4)
C3—C4—C5—C1	0.5 (6)	C18—C17—C21—C20	1.2 (6)
Fe1—C4—C5—C1	60.3 (4)	C27—C17—C21—C20	−176.9 (5)
C3—C4—C5—Fe1	−59.8 (4)	Fe2—C17—C21—C20	59.9 (4)
C2—C1—C5—C4	−1.1 (6)	C18—C17—C21—Fe2	−58.8 (4)
C11—C1—C5—C4	−177.5 (5)	C27—C17—C21—Fe2	123.2 (5)
Fe1—C1—C5—C4	−60.3 (4)	C23—Fe2—C21—C20	−166.6 (8)
C2—C1—C5—Fe1	59.2 (4)	C22—Fe2—C21—C20	160.9 (4)
C11—C1—C5—Fe1	−117.2 (5)	C26—Fe2—C21—C20	119.5 (4)
C6—Fe1—C5—C4	165.4 (6)	C18—Fe2—C21—C20	−81.1 (4)
C10—Fe1—C5—C4	−164.3 (4)	C25—Fe2—C21—C20	78.6 (5)
C9—Fe1—C5—C4	−123.0 (4)	C19—Fe2—C21—C20	−37.4 (4)
C2—Fe1—C5—C4	80.3 (4)	C24—Fe2—C21—C20	44.6 (9)
C1—Fe1—C5—C4	118.8 (5)	C17—Fe2—C21—C20	−118.3 (5)
C8—Fe1—C5—C4	−81.9 (4)	C23—Fe2—C21—C17	−48.3 (9)
C7—Fe1—C5—C4	−52.3 (9)	C22—Fe2—C21—C17	−80.8 (4)
C3—Fe1—C5—C4	36.8 (3)	C26—Fe2—C21—C17	−122.2 (4)
C6—Fe1—C5—C1	46.6 (8)	C18—Fe2—C21—C17	37.2 (3)
C10—Fe1—C5—C1	76.9 (4)	C25—Fe2—C21—C17	−163.1 (4)
C9—Fe1—C5—C1	118.3 (4)	C19—Fe2—C21—C17	81.0 (4)
C2—Fe1—C5—C1	−38.5 (3)	C24—Fe2—C21—C17	162.9 (7)
C4—Fe1—C5—C1	−118.8 (5)	C20—Fe2—C21—C17	118.3 (5)
C8—Fe1—C5—C1	159.3 (4)	C23—Fe2—C22—C26	118.6 (6)
C7—Fe1—C5—C1	−171.0 (7)	C18—Fe2—C22—C26	−162.8 (4)
C3—Fe1—C5—C1	−82.0 (4)	C21—Fe2—C22—C26	−77.5 (5)
C5—Fe1—C6—C7	160.5 (6)	C25—Fe2—C22—C26	37.6 (5)
C10—Fe1—C6—C7	119.5 (6)	C19—Fe2—C22—C26	161.6 (7)
C9—Fe1—C6—C7	81.2 (4)	C24—Fe2—C22—C26	80.8 (5)
C2—Fe1—C6—C7	−122.2 (4)	C20—Fe2—C22—C26	−42.0 (9)
C4—Fe1—C6—C7	−47.9 (9)	C17—Fe2—C22—C26	−120.8 (4)
C1—Fe1—C6—C7	−165.1 (4)	C26—Fe2—C22—C23	−118.6 (6)
C8—Fe1—C6—C7	37.3 (4)	C18—Fe2—C22—C23	78.6 (5)
C3—Fe1—C6—C7	−80.7 (5)	C21—Fe2—C22—C23	163.9 (4)
C5—Fe1—C6—C10	41.1 (8)	C25—Fe2—C22—C23	−81.0 (5)
C9—Fe1—C6—C10	−38.3 (4)	C19—Fe2—C22—C23	43.0 (9)
C2—Fe1—C6—C10	118.3 (4)	C24—Fe2—C22—C23	−37.8 (5)
C4—Fe1—C6—C10	−167.4 (7)	C20—Fe2—C22—C23	−160.5 (6)
C1—Fe1—C6—C10	75.4 (5)	C17—Fe2—C22—C23	120.6 (4)
C8—Fe1—C6—C10	−82.1 (4)	C26—C22—C23—C24	0.0 (8)
C7—Fe1—C6—C10	−119.5 (6)	Fe2—C22—C23—C24	59.9 (5)
C3—Fe1—C6—C10	159.8 (4)	C26—C22—C23—Fe2	−59.9 (5)
C10—C6—C7—C8	0.2 (7)	C22—Fe2—C23—C24	−119.1 (7)
Fe1—C6—C7—C8	−59.6 (5)	C26—Fe2—C23—C24	−81.4 (5)
C10—C6—C7—Fe1	59.8 (4)	C18—Fe2—C23—C24	119.5 (5)
C6—Fe1—C7—C8	118.9 (6)	C21—Fe2—C23—C24	−162.3 (8)
C5—Fe1—C7—C8	−40.4 (10)	C25—Fe2—C23—C24	−38.3 (5)
C10—Fe1—C7—C8	80.8 (5)	C19—Fe2—C23—C24	76.9 (6)
C9—Fe1—C7—C8	37.5 (4)	C20—Fe2—C23—C24	41.7 (10)
C2—Fe1—C7—C8	−164.4 (4)	C17—Fe2—C23—C24	161.4 (5)
C4—Fe1—C7—C8	−79.3 (5)	C26—Fe2—C23—C22	37.7 (4)
C1—Fe1—C7—C8	156.2 (6)	C18—Fe2—C23—C22	−121.4 (4)
C3—Fe1—C7—C8	−121.5 (4)	C21—Fe2—C23—C22	−43.2 (10)
C5—Fe1—C7—C6	−159.2 (7)	C25—Fe2—C23—C22	80.8 (5)
C10—Fe1—C7—C6	−38.0 (4)	C19—Fe2—C23—C22	−164.0 (4)
C9—Fe1—C7—C6	−81.3 (4)	C24—Fe2—C23—C22	119.1 (7)
C2—Fe1—C7—C6	76.8 (5)	C20—Fe2—C23—C22	160.8 (6)
C4—Fe1—C7—C6	161.9 (4)	C17—Fe2—C23—C22	−79.5 (5)
C1—Fe1—C7—C6	37.4 (9)	C22—C23—C24—C25	0.8 (8)
C8—Fe1—C7—C6	−118.9 (6)	Fe2—C23—C24—C25	60.2 (5)
C3—Fe1—C7—C6	119.7 (4)	C22—C23—C24—Fe2	−59.4 (5)
C6—C7—C8—C9	−0.4 (7)	C23—Fe2—C24—C25	−117.2 (7)
Fe1—C7—C8—C9	−59.1 (4)	C22—Fe2—C24—C25	−79.1 (5)
C6—C7—C8—Fe1	58.7 (5)	C26—Fe2—C24—C25	−35.6 (5)
C6—Fe1—C8—C7	−37.9 (4)	C18—Fe2—C24—C25	162.8 (4)
C5—Fe1—C8—C7	164.2 (4)	C21—Fe2—C24—C25	47.2 (10)
C10—Fe1—C8—C7	−82.6 (5)	C19—Fe2—C24—C25	121.4 (5)
C9—Fe1—C8—C7	−119.5 (6)	C20—Fe2—C24—C25	79.7 (5)
C2—Fe1—C8—C7	41.1 (10)	C17—Fe2—C24—C25	−166.5 (7)
C4—Fe1—C8—C7	120.7 (5)	C22—Fe2—C24—C23	38.2 (5)
C1—Fe1—C8—C7	−157.0 (6)	C26—Fe2—C24—C23	81.6 (5)
C3—Fe1—C8—C7	78.8 (5)	C18—Fe2—C24—C23	−80.0 (5)
C6—Fe1—C8—C9	81.7 (5)	C21—Fe2—C24—C23	164.4 (7)
C5—Fe1—C8—C9	−76.3 (5)	C25—Fe2—C24—C23	117.2 (7)
C10—Fe1—C8—C9	36.9 (4)	C19—Fe2—C24—C23	−121.3 (5)
C2—Fe1—C8—C9	160.7 (7)	C20—Fe2—C24—C23	−163.1 (5)
C4—Fe1—C8—C9	−119.8 (4)	C17—Fe2—C24—C23	−49.2 (10)
C1—Fe1—C8—C9	−37.5 (9)	C23—C24—C25—C26	−1.4 (8)
C7—Fe1—C8—C9	119.5 (6)	Fe2—C24—C25—C26	58.1 (5)
C3—Fe1—C8—C9	−161.6 (4)	C23—C24—C25—Fe2	−59.5 (5)
C7—C8—C9—C10	0.4 (7)	C23—Fe2—C25—C26	−83.1 (5)
Fe1—C8—C9—C10	−59.3 (4)	C22—Fe2—C25—C26	−38.1 (5)
C7—C8—C9—Fe1	59.7 (5)	C18—Fe2—C25—C26	−165.5 (7)
C6—Fe1—C9—C10	39.4 (4)	C21—Fe2—C25—C26	77.3 (5)
C5—Fe1—C9—C10	−118.0 (4)	C19—Fe2—C25—C26	161.5 (4)
C2—Fe1—C9—C10	−42.8 (8)	C24—Fe2—C25—C26	−122.3 (7)
C4—Fe1—C9—C10	−159.5 (4)	C20—Fe2—C25—C26	119.6 (5)
C1—Fe1—C9—C10	−75.3 (5)	C17—Fe2—C25—C26	44.3 (10)
C8—Fe1—C9—C10	120.0 (6)	C23—Fe2—C25—C24	39.2 (5)
C7—Fe1—C9—C10	83.1 (5)	C22—Fe2—C25—C24	84.3 (5)
C3—Fe1—C9—C10	169.7 (7)	C26—Fe2—C25—C24	122.3 (7)
C6—Fe1—C9—C8	−80.6 (5)	C18—Fe2—C25—C24	−43.2 (10)
C5—Fe1—C9—C8	122.0 (4)	C21—Fe2—C25—C24	−160.4 (5)
C10—Fe1—C9—C8	−120.0 (6)	C19—Fe2—C25—C24	−76.2 (6)
C2—Fe1—C9—C8	−162.9 (6)	C20—Fe2—C25—C24	−118.1 (5)
C4—Fe1—C9—C8	80.5 (5)	C17—Fe2—C25—C24	166.6 (7)
C1—Fe1—C9—C8	164.7 (4)	C24—C25—C26—C22	1.4 (8)
C7—Fe1—C9—C8	−36.9 (4)	Fe2—C25—C26—C22	59.8 (5)
C3—Fe1—C9—C8	49.7 (9)	C24—C25—C26—Fe2	−58.3 (5)
C8—C9—C10—C6	−0.2 (7)	C23—C22—C26—C25	−0.9 (8)
Fe1—C9—C10—C6	−59.9 (4)	Fe2—C22—C26—C25	−60.2 (5)
C8—C9—C10—Fe1	59.6 (4)	C23—C22—C26—Fe2	59.3 (5)
C7—C6—C10—C9	0.0 (7)	C23—Fe2—C26—C25	80.0 (5)
Fe1—C6—C10—C9	60.7 (4)	C22—Fe2—C26—C25	118.6 (7)
C7—C6—C10—Fe1	−60.6 (5)	C18—Fe2—C26—C25	164.5 (7)
C6—Fe1—C10—C9	−117.1 (6)	C21—Fe2—C26—C25	−120.6 (5)
C5—Fe1—C10—C9	79.5 (4)	C19—Fe2—C26—C25	−44.9 (10)
C2—Fe1—C10—C9	162.2 (4)	C24—Fe2—C26—C25	35.7 (5)
C4—Fe1—C10—C9	51.2 (8)	C20—Fe2—C26—C25	−78.3 (6)
C1—Fe1—C10—C9	121.1 (4)	C17—Fe2—C26—C25	−162.8 (5)
C8—Fe1—C10—C9	−37.2 (4)	C23—Fe2—C26—C22	−38.6 (5)
C7—Fe1—C10—C9	−80.0 (4)	C18—Fe2—C26—C22	45.9 (10)
C3—Fe1—C10—C9	−170.3 (6)	C21—Fe2—C26—C22	120.8 (4)
C5—Fe1—C10—C6	−163.4 (4)	C25—Fe2—C26—C22	−118.6 (7)
C9—Fe1—C10—C6	117.1 (6)	C19—Fe2—C26—C22	−163.5 (6)
C2—Fe1—C10—C6	−80.7 (5)	C24—Fe2—C26—C22	−82.9 (5)
C4—Fe1—C10—C6	168.3 (6)	C20—Fe2—C26—C22	163.1 (4)
C1—Fe1—C10—C6	−121.8 (4)	C17—Fe2—C26—C22	78.6 (5)
C8—Fe1—C10—C6	79.9 (5)	N4—N3—C27—C28	−1.1 (6)
C7—Fe1—C10—C6	37.1 (4)	N4—N3—C27—C17	−179.0 (4)
C3—Fe1—C10—C6	−53.2 (9)	C18—C17—C27—N3	0.4 (8)
N2—N1—C11—C12	0.4 (6)	C21—C17—C27—N3	178.0 (5)
N2—N1—C11—C1	−179.3 (5)	Fe2—C17—C27—N3	−92.1 (6)
C5—C1—C11—N1	−173.3 (5)	C18—C17—C27—C28	−177.0 (5)
C2—C1—C11—N1	11.0 (9)	C21—C17—C27—C28	0.7 (9)
Fe1—C1—C11—N1	99.7 (6)	Fe2—C17—C27—C28	90.5 (7)
C5—C1—C11—C12	7.1 (9)	N3—C27—C28—C29	0.5 (6)
C2—C1—C11—C12	−168.6 (6)	C17—C27—C28—C29	178.0 (5)
Fe1—C1—C11—C12	−80.0 (7)	N3—N4—C29—C28	−1.2 (6)
N1—C11—C12—C13	−0.5 (7)	C31—N4—C29—C28	−174.0 (5)
C1—C11—C12—C13	179.1 (5)	N3—N4—C29—C30	178.5 (5)
N1—N2—C13—C12	−0.2 (7)	C31—N4—C29—C30	5.7 (9)
C15—N2—C13—C12	−176.4 (5)	C27—C28—C29—N4	0.4 (6)
N1—N2—C13—C14	−179.8 (5)	C27—C28—C29—C30	−179.3 (5)
C15—N2—C13—C14	4.0 (10)	C29—N4—C31—C32	94.0 (7)
C11—C12—C13—N2	0.4 (7)	N3—N4—C31—C32	−78.5 (6)
C11—C12—C13—C14	180.0 (6)	N4—C31—C32—O2	−73.0 (7)
C13—N2—C15—C16	91.3 (8)	C1—Cg2—Cg3—C10	0.4 (5)
N1—N2—C15—C16	−84.7 (7)	C17—Cg5—Cg6—C22	−1.4 (5)

Symmetry code: (i) −x, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1O···N3	0.85	1.96	2.794 (6)	166
O2—H2O···N1^ii	0.85	2.02	2.861 (6)	172
C14—H14A···O1	0.96	2.54	3.276 (10)	133
C14—H14C···Cg3^iii	0.96	2.96	3.777 (9)	144
C30—H30A···O2	0.96	2.72	3.420 (8)	131

Symmetry codes: (ii) −x+1, −y+1, −z+1; (iii) x−1, y, z.