Aqua­bis­(tetra­hydro­furan)­hexakis­(tri­chloro­acetato)copper(II)­diiron(III) hexane solvate

In the oxo-centered title compound, [CuFe₂O(C₂Cl₃O₂)₆(C₄H₈O)₂(H₂O)]·C₆H₁₄, the central O atom is linked to the three metal atoms, each of which is linked to four tri­chloro­acetate anions. The Fe atoms are coordinated by a tetra­hydro­furan mol­ecule and the Cu atom by a water mol­ecule. Two trimetallic units are linked by a pair of hydrogen bonds across a center of inversion into a dimeric entity.

Key indicators

• Single-crystal X-ray study
• T = 181 K
• Mean [sigma](C-C) = 0.010 Å
• R factor = 0.067
• wR factor = 0.151
• Data-to-parameter ratio = 17.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.75 Ratio

Author Response: ... There is some disorder in the THF molecule, but it is not necessary to treat the disorder.

Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....        C14
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....         C4
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....         C8
PLAT731_ALERT_1_B Bond    Calc     0.85(6), Rep   0.850(10) ......       6.00 su-Rat
              O16  -HO16A   1.555   1.555
PLAT731_ALERT_1_B Bond    Calc     0.86(6), Rep   0.850(10) ......       6.00 su-Rat
              O16  -HO16B   1.555   1.555
PLAT735_ALERT_1_B D-H     Calc     0.85(6), Rep   0.848(10) ......       6.00 su-Rat
              O16  -H1#     1.555   1.555
PLAT735_ALERT_1_B D-H     Calc     0.86(6), Rep   0.849(10) ......       6.00 su-Rat
              O16  -H2#     1.555   1.555

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           26.50
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total              10348
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns        11029
           Completeness (_total/calc)             93.83%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.94
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.84 Ratio

Author Response: ... There is some disorder in the THF molecule, but it is not necessary to treat the disorder.

PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.64 Ratio
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O3
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O6
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O8
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        O10
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C10
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C13
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.27
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl7    ..  O3      ..       3.22 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2
PLAT721_ALERT_1_C Bond    Calc     0.97623, Rep     0.99000 Dev...       0.01 Ang.
              C23  -H23B    1.555   1.555
PLAT721_ALERT_1_C Bond    Calc     1.00042, Rep     0.99000 Dev...       0.01 Ang.
              C23' -H23C    1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      109.18, Rep      107.90 Dev...       1.28 Deg.
              H23A -C23  -H23B    1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      110.47, Rep      109.30 Dev...       1.17 Deg.
              C23  -C24  -H24A    1.555   1.555   1.555
PLAT722_ALERT_1_C Angle   Calc      106.26, Rep      107.70 Dev...       1.44 Deg.
              H23C -C23' -H23D    1.555   1.555   1.555

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C26 H32 Cl18 Cu1 Fe2 O16
            Atom count from _chemical_formula_moiety:C26 H36 Cl18 Cu1 Fe2 O16

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

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

---

Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Aquabis(tetrahydrofuran)hexakis(trichloroacetato)copper(II)diiron(III) hexane solvate

Crystal data

[CuFe2O(C2Cl3O2)6(C4H8O)2(H2O)]·C6H14	F(000) = 2812
Mr = 1413.86	Dx = 1.766 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 6734 reflections
a = 13.2528 (9) Å	θ = 2.6–26.3°
b = 13.6796 (9) Å	µ = 1.90 mm^−1
c = 29.358 (2) Å	T = 181 K
β = 92.430 (1)°	Plate, red
V = 5317.6 (6) Å^3	0.50 × 0.23 × 0.10 mm
Z = 4

Data collection

Bruker P4/CCD Platform diffractometer	10348 independent reflections
Radiation source: medium-focus sealed tube	6477 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.066
Detector resolution: 0 pixels mm^-1	θmax = 26.5°, θmin = 2.0°
φ and ω scans	h = −5→16
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = −17→16
Tmin = 0.617, Tmax = 0.833	l = −36→36
36718 measured reflections

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)] = 0.067	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.151	H atoms treated by a mixture of independent and constrained refinement
S = 1.10	w = 1/[σ^2(Fo^2) + (0.0334P)^2 + 36.2345P] where P = (Fo^2 + 2Fc^2)/3
10348 reflections	(Δ/σ)max = 0.001
592 parameters	Δρmax = 0.98 e Å^−3
20 restraints	Δρmin = −0.78 e Å^−3

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cu1	0.48793 (6)	0.44490 (6)	0.58498 (3)	0.0204 (2)
Fe2	0.47838 (6)	0.23080 (7)	0.63819 (3)	0.0171 (2)
Fe3	0.66315 (7)	0.38792 (7)	0.66431 (3)	0.0179 (2)
Cl1	0.3935 (2)	0.0810 (1)	0.4925 (1)	0.045 (1)
Cl2	0.5611 (2)	0.1991 (2)	0.4634 (1)	0.055 (1)
Cl3	0.3541 (2)	0.2711 (2)	0.4521 (1)	0.055 (1)
Cl4	0.1252 (2)	0.4750 (2)	0.6296 (1)	0.073 (1)
Cl5	0.2577 (2)	0.4577 (3)	0.7093 (1)	0.082 (1)
Cl6	0.1359 (2)	0.2935 (2)	0.6801 (1)	0.081 (1)
Cl7	0.8013 (2)	0.5262 (2)	0.4900 (1)	0.042 (1)
Cl8	0.8843 (2)	0.5972 (2)	0.5770 (1)	0.043 (1)
Cl9	0.9081 (2)	0.3922 (2)	0.5523 (1)	0.050 (1)
Cl10	0.5846 (2)	0.7663 (2)	0.6641 (1)	0.068 (1)
Cl11	0.5600 (3)	0.6649 (2)	0.7492 (1)	0.099 (1)
Cl12	0.3886 (2)	0.6970 (2)	0.6875 (1)	0.097 (1)
Cl13	0.4929 (2)	0.4116 (2)	0.8024 (1)	0.048 (1)
Cl14	0.6202 (2)	0.2419 (2)	0.8194 (1)	0.063 (1)
Cl15	0.4058 (2)	0.2173 (2)	0.7974 (1)	0.080 (1)
Cl16	0.7578 (2)	0.1314 (2)	0.5523 (1)	0.044 (1)
Cl17	0.9047 (2)	0.1387 (2)	0.6288 (1)	0.052 (1)
Cl18	0.7528 (2)	−0.0143 (1)	0.6245 (1)	0.043 (1)
O1	0.4730 (4)	0.3450 (3)	0.5333 (2)	0.026 (1)
O2	0.4481 (4)	0.2020 (3)	0.5704 (2)	0.027 (1)
O3	0.3248 (4)	0.4171 (4)	0.6024 (2)	0.041 (1)
O4	0.3394 (3)	0.2841 (4)	0.6472 (2)	0.032 (1)
O5	0.6436 (3)	0.4756 (4)	0.5524 (2)	0.031 (1)
O6	0.7432 (4)	0.4453 (4)	0.6147 (2)	0.038 (1)
O7	0.4927 (4)	0.5585 (4)	0.6289 (2)	0.040 (1)
O8	0.6111 (4)	0.5212 (4)	0.6831 (2)	0.043 (2)
O9	0.4898 (4)	0.2303 (4)	0.7091 (2)	0.029 (1)
O10	0.6132 (4)	0.3392 (4)	0.7254 (2)	0.040 (1)
O11	0.6105 (3)	0.1504 (3)	0.6331 (2)	0.026 (1)
O12	0.7353 (3)	0.2568 (4)	0.6526 (2)	0.032 (1)
O13	0.4134 (3)	0.0913 (3)	0.6485 (2)	0.025 (1)
O14	0.7908 (3)	0.4237 (3)	0.7066 (2)	0.024 (1)
O15	0.5449 (3)	0.3517 (3)	0.6296 (1)	0.016 (1)
O16	0.4327 (3)	0.5428 (4)	0.5402 (2)	0.026 (1)
HO16a	0.470 (5)	0.586 (4)	0.529 (2)	0.031*
HO16b	0.397 (5)	0.523 (5)	0.517 (2)	0.031*
C1	0.4545 (5)	0.2544 (5)	0.5352 (2)	0.020 (2)
C2	0.4390 (6)	0.2014 (5)	0.4881 (2)	0.032 (2)
C3	0.2992 (5)	0.3630 (5)	0.6328 (2)	0.023 (2)
C4	0.2058 (5)	0.3942 (6)	0.6608 (2)	0.031 (2)
C5	0.7268 (5)	0.4695 (5)	0.5733 (2)	0.022 (2)
C6	0.8256 (5)	0.4957 (5)	0.5483 (2)	0.029 (2)
C7	0.5428 (5)	0.5732 (5)	0.6652 (2)	0.029 (2)
C8	0.5194 (6)	0.6697 (6)	0.6914 (3)	0.037 (2)
C9	0.5418 (5)	0.2850 (5)	0.7347 (2)	0.023 (2)
C10	0.5140 (6)	0.2888 (6)	0.7864 (2)	0.036 (2)
C11	0.7002 (5)	0.1801 (5)	0.6360 (2)	0.020 (1)
C12	0.7776 (5)	0.1102 (5)	0.6122 (2)	0.027 (2)
C13	0.3295 (5)	0.0729 (5)	0.6792 (3)	0.030 (2)
C14	0.2963 (10)	−0.0286 (8)	0.6689 (4)	0.095 (5)
C15	0.3351 (7)	−0.0543 (8)	0.6228 (3)	0.062 (3)
C16	0.4301 (6)	0.0029 (5)	0.6209 (3)	0.033 (2)
C17	0.7854 (5)	0.4579 (6)	0.7542 (2)	0.032 (2)
C18	0.8843 (5)	0.5114 (6)	0.7634 (2)	0.036 (2)
C19	0.9583 (5)	0.4572 (6)	0.7338 (2)	0.035 (2)
C20	0.8944 (5)	0.4290 (6)	0.6918 (2)	0.035 (2)
C21	0.840 (2)	0.247 (3)	0.427 (1)	0.08 (1)	0.50
C22	0.938 (1)	0.186 (2)	0.427 (1)	0.07 (1)	0.50
C23	0.984 (2)	0.181 (2)	0.477 (1)	0.07 (1)	0.50
C24	1.080 (1)	0.120 (2)	0.479 (1)	0.07 (1)	0.50
C25	1.116 (2)	0.101 (2)	0.529 (1)	0.10 (1)	0.50
C26	1.160 (3)	0.194 (3)	0.551 (1)	0.08 (1)	0.50
C21'	0.856 (3)	0.263 (2)	0.430 (2)	0.08 (1)	0.50
C22'	0.890 (1)	0.156 (2)	0.428 (1)	0.07 (1)	0.50
C23'	0.999 (1)	0.142 (2)	0.444 (1)	0.07 (1)	0.50
C24'	1.022 (1)	0.170 (2)	0.493 (1)	0.07 (1)	0.50
C25'	1.130 (1)	0.141 (3)	0.509 (1)	0.10 (1)	0.50
C26'	1.152 (3)	0.176 (4)	0.558 (1)	0.08 (1)	0.50
H13a	0.3530	0.0792	0.7115	0.036*
H13b	0.2736	0.1197	0.6730	0.036*
H14a	0.2217	−0.0330	0.6683	0.113*
H14b	0.3243	−0.0741	0.6924	0.113*
H15a	0.3484	−0.1253	0.6204	0.075*
H15b	0.2862	−0.0347	0.5980	0.075*
H16a	0.4437	0.0207	0.5891	0.039*
H16b	0.4880	−0.0352	0.6338	0.039*
H17a	0.7791	0.4020	0.7753	0.038*
H17b	0.7272	0.5023	0.7576	0.038*
H18a	0.9058	0.5075	0.7961	0.043*
H18b	0.8784	0.5810	0.7544	0.043*
H19a	1.0149	0.5002	0.7257	0.042*
H19b	0.9860	0.3985	0.7496	0.042*
H20a	0.9003	0.4788	0.6675	0.042*
H20b	0.9161	0.3650	0.6798	0.042*
H21a	0.8095	0.2484	0.3958	0.121*	0.50
H21b	0.8549	0.3138	0.4369	0.121*	0.50
H21c	0.7921	0.2170	0.4474	0.121*	0.50
H22a	0.9238	0.1193	0.4161	0.089*	0.50
H22b	0.9872	0.2168	0.4072	0.089*	0.50
H23a	1.0002	0.2482	0.4873	0.089*	0.50
H23b	0.9343	0.1528	0.4968	0.089*	0.50
H24a	1.1343	0.1539	0.4633	0.086*	0.50
H24b	1.0674	0.0564	0.4638	0.086*	0.50
H25a	1.1682	0.0489	0.5298	0.115*	0.50
H25b	1.0586	0.0777	0.5465	0.115*	0.50
H26a	1.1834	0.1799	0.5825	0.121*	0.50
H26b	1.1081	0.2448	0.5511	0.121*	0.50
H26c	1.2173	0.2169	0.5338	0.121*	0.50
H21d	0.7852	0.2684	0.4194	0.121*	0.50
H21e	0.8980	0.3032	0.4107	0.121*	0.50
H21f	0.8634	0.2863	0.4616	0.121*	0.50
H22c	0.8464	0.1161	0.4470	0.089*	0.50
H22d	0.8804	0.1328	0.3960	0.089*	0.50
H23c	1.0427	0.1810	0.4238	0.089*	0.50
H23d	1.0174	0.0721	0.4394	0.089*	0.50
H24c	0.9729	0.1375	0.5125	0.086*	0.50
H24d	1.0138	0.2416	0.4964	0.086*	0.50
H25c	1.1790	0.1697	0.4883	0.115*	0.50
H25d	1.1370	0.0686	0.5076	0.115*	0.50
H26d	1.2215	0.1579	0.5679	0.121*	0.50
H26e	1.1046	0.1464	0.5785	0.121*	0.50
H26f	1.1457	0.2477	0.5592	0.121*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0204 (4)	0.0230 (5)	0.0175 (4)	0.0020 (3)	−0.0028 (3)	0.0010 (4)
Fe2	0.0153 (5)	0.0198 (5)	0.0160 (5)	0.0005 (4)	−0.0018 (3)	−0.0007 (4)
Fe3	0.0159 (5)	0.0209 (5)	0.0164 (5)	−0.0001 (4)	−0.0031 (3)	−0.0020 (4)
Cl1	0.0656 (14)	0.0267 (11)	0.0422 (12)	−0.0041 (9)	−0.0146 (10)	−0.0084 (9)
Cl2	0.0560 (14)	0.0649 (16)	0.0458 (13)	0.0003 (11)	0.0200 (11)	−0.0208 (12)
Cl3	0.0780 (16)	0.0420 (13)	0.0403 (12)	0.0147 (11)	−0.0339 (11)	−0.0045 (10)
Cl4	0.0510 (15)	0.113 (2)	0.0554 (15)	0.0554 (15)	0.0193 (11)	0.0372 (15)
Cl5	0.0559 (16)	0.141 (3)	0.0497 (15)	0.0062 (16)	0.0039 (12)	−0.0498 (17)
Cl6	0.0459 (15)	0.0533 (16)	0.148 (3)	0.0069 (12)	0.0530 (16)	0.0184 (17)
Cl7	0.0389 (11)	0.0677 (15)	0.0203 (10)	−0.0095 (10)	−0.0002 (8)	0.0096 (9)
Cl8	0.0436 (12)	0.0458 (13)	0.0399 (12)	−0.0233 (9)	−0.0059 (9)	0.0020 (10)
Cl9	0.0433 (12)	0.0598 (15)	0.0485 (13)	0.0198 (10)	0.0042 (10)	−0.0011 (11)
Cl10	0.100 (2)	0.0384 (14)	0.0661 (17)	−0.0188 (13)	0.0126 (14)	−0.0113 (12)
Cl11	0.194 (4)	0.072 (2)	0.0286 (13)	0.071 (2)	−0.0131 (17)	−0.0108 (13)
Cl12	0.0534 (17)	0.083 (2)	0.154 (3)	0.0217 (15)	0.0088 (18)	−0.057 (2)
Cl13	0.0538 (13)	0.0437 (13)	0.0463 (13)	0.0028 (10)	0.0149 (10)	−0.0123 (10)
Cl14	0.0905 (19)	0.0679 (17)	0.0293 (12)	0.0201 (14)	−0.0115 (11)	0.0121 (11)
Cl15	0.094 (2)	0.101 (2)	0.0473 (15)	−0.0666 (18)	0.0397 (14)	−0.0224 (15)
Cl16	0.0573 (13)	0.0499 (14)	0.0253 (11)	0.0045 (10)	0.0106 (9)	−0.0003 (9)
Cl17	0.0212 (10)	0.0593 (15)	0.0741 (16)	0.0076 (9)	−0.0028 (9)	−0.0198 (12)
Cl18	0.0496 (12)	0.0264 (11)	0.0529 (13)	0.0098 (9)	0.0125 (10)	0.0048 (10)
O1	0.040 (3)	0.018 (3)	0.019 (3)	0.001 (2)	−0.003 (2)	0.000 (2)
O2	0.036 (3)	0.026 (3)	0.018 (3)	−0.006 (2)	−0.002 (2)	−0.001 (2)
O3	0.034 (3)	0.050 (4)	0.040 (3)	0.019 (3)	0.013 (2)	0.019 (3)
O4	0.021 (3)	0.030 (3)	0.046 (3)	0.005 (2)	0.006 (2)	0.005 (2)
O5	0.024 (3)	0.047 (3)	0.021 (3)	0.003 (2)	−0.002 (2)	0.009 (2)
O6	0.025 (3)	0.068 (4)	0.019 (3)	−0.015 (3)	−0.008 (2)	0.008 (3)
O7	0.057 (4)	0.032 (3)	0.029 (3)	0.017 (3)	−0.012 (3)	−0.004 (2)
O8	0.042 (3)	0.030 (3)	0.055 (4)	0.016 (2)	−0.026 (3)	−0.021 (3)
O9	0.036 (3)	0.033 (3)	0.020 (3)	−0.009 (2)	0.000 (2)	−0.002 (2)
O10	0.033 (3)	0.068 (4)	0.017 (3)	−0.028 (3)	−0.003 (2)	0.001 (3)
O11	0.021 (3)	0.016 (3)	0.040 (3)	0.0012 (19)	0.003 (2)	0.000 (2)
O12	0.023 (3)	0.026 (3)	0.046 (3)	0.007 (2)	−0.015 (2)	−0.010 (2)
O13	0.027 (3)	0.023 (3)	0.027 (3)	−0.004 (2)	0.009 (2)	−0.002 (2)
O14	0.018 (2)	0.036 (3)	0.019 (2)	−0.003 (2)	−0.0043 (18)	−0.005 (2)
O15	0.016 (2)	0.017 (2)	0.012 (2)	0.0030 (17)	−0.0062 (16)	0.0006 (18)
O16	0.023 (3)	0.031 (3)	0.023 (3)	0.002 (2)	−0.007 (2)	0.003 (2)
C1	0.018 (3)	0.024 (4)	0.019 (4)	−0.001 (3)	−0.002 (3)	−0.005 (3)
C2	0.038 (4)	0.032 (5)	0.024 (4)	0.001 (3)	−0.004 (3)	−0.003 (3)
C3	0.017 (3)	0.031 (4)	0.021 (4)	0.006 (3)	−0.001 (3)	−0.003 (3)
C4	0.026 (4)	0.039 (5)	0.027 (4)	0.011 (3)	0.004 (3)	0.002 (4)
C5	0.024 (4)	0.024 (4)	0.018 (4)	−0.003 (3)	−0.003 (3)	0.001 (3)
C6	0.028 (4)	0.037 (5)	0.021 (4)	−0.007 (3)	0.001 (3)	0.003 (3)
C7	0.034 (4)	0.024 (4)	0.028 (4)	0.001 (3)	0.001 (3)	0.000 (3)
C8	0.051 (5)	0.033 (5)	0.027 (4)	0.009 (4)	0.000 (4)	0.002 (4)
C9	0.030 (4)	0.016 (4)	0.023 (4)	0.014 (3)	−0.001 (3)	0.003 (3)
C10	0.043 (5)	0.040 (5)	0.024 (4)	−0.011 (4)	0.006 (3)	−0.004 (4)
C11	0.023 (4)	0.022 (4)	0.014 (3)	0.002 (3)	−0.002 (3)	0.002 (3)
C12	0.026 (4)	0.024 (4)	0.031 (4)	−0.003 (3)	0.001 (3)	−0.005 (3)
C13	0.031 (4)	0.026 (4)	0.035 (4)	−0.005 (3)	0.010 (3)	0.001 (3)
C14	0.121 (10)	0.086 (9)	0.082 (8)	−0.076 (8)	0.070 (7)	−0.055 (7)
C15	0.060 (6)	0.060 (7)	0.068 (7)	−0.027 (5)	0.017 (5)	−0.033 (6)
C16	0.040 (5)	0.028 (4)	0.031 (4)	0.004 (3)	0.005 (3)	−0.004 (3)
C17	0.033 (4)	0.042 (5)	0.020 (4)	0.004 (3)	−0.001 (3)	−0.014 (3)
C18	0.035 (4)	0.046 (5)	0.025 (4)	−0.006 (4)	−0.004 (3)	−0.010 (4)
C19	0.016 (4)	0.063 (6)	0.026 (4)	−0.009 (3)	−0.003 (3)	−0.001 (4)
C20	0.017 (4)	0.058 (6)	0.029 (4)	−0.003 (3)	−0.004 (3)	−0.005 (4)
C21	0.073 (12)	0.092 (15)	0.074 (10)	−0.025 (11)	−0.027 (8)	−0.023 (9)
C22	0.057 (15)	0.099 (17)	0.066 (9)	−0.038 (10)	−0.008 (10)	−0.015 (10)
C23	0.069 (12)	0.091 (14)	0.065 (13)	−0.019 (10)	0.025 (9)	−0.026 (11)
C24	0.054 (12)	0.087 (14)	0.075 (13)	−0.012 (9)	0.016 (8)	−0.019 (10)
C25	0.053 (10)	0.13 (3)	0.10 (2)	−0.012 (12)	0.008 (11)	−0.037 (18)
C26	0.062 (9)	0.106 (18)	0.074 (11)	0.001 (9)	−0.006 (8)	−0.003 (11)
C21'	0.073 (12)	0.092 (15)	0.074 (10)	−0.025 (11)	−0.027 (8)	−0.023 (9)
C22'	0.057 (15)	0.099 (17)	0.066 (9)	−0.038 (10)	−0.008 (10)	−0.015 (10)
C23'	0.069 (12)	0.091 (14)	0.065 (13)	−0.019 (10)	0.025 (9)	−0.026 (11)
C24'	0.054 (12)	0.087 (14)	0.075 (13)	−0.012 (9)	0.016 (8)	−0.019 (10)
C25'	0.053 (10)	0.13 (3)	0.10 (2)	−0.012 (12)	0.008 (11)	−0.037 (18)
C26'	0.062 (9)	0.106 (18)	0.074 (11)	0.001 (9)	−0.006 (8)	−0.003 (11)

Geometric parameters (Å, º)

Cu1—O1	2.046 (5)	C15—C16	1.485 (11)
Cu1—O3	2.274 (5)	C17—C18	1.515 (10)
Cu1—O5	2.348 (5)	C18—C19	1.531 (10)
Cu1—O15	1.956 (4)	C19—C20	1.516 (9)
Cu1—O16	1.994 (5)	C21—C22	1.551 (10)
Cu1—O7	2.018 (5)	C22—C23	1.541 (9)
Fe2—O4	2.009 (5)	C23—C24	1.524 (10)
Fe2—O2	2.053 (4)	C24—C25	1.534 (9)
Fe2—O9	2.080 (5)	C25—C26	1.535 (10)
Fe2—O11	2.079 (4)	C21'—C22'	1.532 (10)
Fe2—O13	2.120 (5)	C22'—C23'	1.517 (9)
Fe2—O15	1.896 (4)	C23'—C24'	1.522 (9)
Fe3—O15	1.899 (4)	C24'—C25'	1.540 (10)
Fe3—O6	1.999 (5)	C25'—C26'	1.543 (10)
Fe3—O8	2.034 (5)	O16—HO16a	0.85 (1)
Fe3—O10	2.049 (5)	O16—HO16b	0.85 (1)
Fe3—O12	2.069 (5)	C13—H13a	0.9900
Fe3—O14	2.112 (4)	C13—H13b	0.9900
Cl1—C2	1.761 (8)	C14—H14a	0.9900
Cl2—C2	1.801 (8)	C14—H14b	0.9900
Cl3—C2	1.786 (7)	C15—H15a	0.9900
Cl4—C4	1.765 (7)	C15—H15b	0.9900
Cl5—C4	1.781 (8)	C16—H16a	0.9900
Cl6—C4	1.768 (8)	C16—H16b	0.9900
Cl7—C6	1.776 (7)	C17—H17a	0.9900
Cl8—C6	1.786 (7)	C17—H17b	0.9900
Cl9—C6	1.789 (8)	C18—H18a	0.9900
Cl10—C8	1.787 (8)	C18—H18b	0.9900
Cl11—C8	1.760 (8)	C19—H19a	0.9900
Cl12—C8	1.772 (8)	C19—H19b	0.9900
Cl13—C10	1.770 (8)	C20—H20a	0.9900
Cl14—C10	1.794 (8)	C20—H20b	0.9900
Cl15—C10	1.777 (8)	C21—H21a	0.9800
Cl16—C12	1.789 (7)	C21—H21b	0.9800
Cl17—C12	1.777 (7)	C21—H21c	0.9800
Cl18—C12	1.774 (7)	C22—H22a	0.9900
O1—C1	1.266 (8)	C22—H22b	0.9900
O2—C1	1.262 (8)	C23—H23a	0.9900
O3—C3	1.219 (8)	C23—H23b	0.9900
O4—C3	1.269 (8)	C24—H24a	0.9900
O5—C5	1.241 (7)	C24—H24b	0.9900
O6—C5	1.268 (8)	C25—H25a	0.9900
O7—C7	1.249 (8)	C25—H25b	0.9900
O8—C7	1.249 (8)	C26—H26a	0.9800
O9—C9	1.248 (8)	C26—H26b	0.9800
O10—C9	1.241 (8)	C26—H26c	0.9800
O11—C11	1.256 (8)	C21'—H21d	0.9800
O12—C11	1.239 (8)	C21'—H21e	0.9800
O13—C16	1.477 (8)	C21'—H21f	0.9800
O13—C13	1.482 (8)	C22'—H22c	0.9900
O14—C20	1.460 (8)	C22'—H22d	0.9900
O14—C17	1.479 (8)	C23'—H23c	0.9900
C1—C2	1.567 (9)	C23'—H23d	0.9900
C3—C4	1.573 (9)	C24'—H24c	0.9900
C5—C6	1.571 (9)	C24'—H24d	0.9900
C7—C8	1.566 (10)	C25'—H25c	0.9900
C9—C10	1.576 (10)	C25'—H25d	0.9900
C11—C12	1.585 (9)	C26'—H26d	0.9800
C13—C14	1.483 (11)	C26'—H26e	0.9800
C14—C15	1.510 (12)	C26'—H26f	0.9800
O1—Cu1—O3	89.5 (2)	Cl17—C12—Cl16	109.3 (4)
O1—Cu1—O5	82.9 (2)	C14—C13—O13	105.0 (6)
O1—Cu1—O7	171.0 (2)	C14—C13—H13a	110.7
O1—Cu1—O15	94.8 (2)	O13—C13—H13a	110.7
O1—Cu1—O16	86.5 (2)	C14—C13—H13b	110.7
O3—Cu1—O5	168.9 (2)	O13—C13—H13b	110.7
O3—Cu1—O7	89.4 (2)	H13a—C13—H13b	108.8
O3—Cu1—O15	94.8 (2)	C13—C14—C15	106.9 (8)
O3—Cu1—O16	86.2 (2)	C13—C14—H14a	110.3
O5—Cu1—O7	96.8 (2)	C15—C14—H14a	110.3
O5—Cu1—O15	93.9 (2)	C13—C14—H14b	110.3
O5—Cu1—O16	85.2 (2)	C15—C14—H14b	110.3
O7—Cu1—O15	94.2 (2)	H14a—C14—H14b	108.6
O7—Cu1—O16	84.5 (2)	C16—C15—C14	103.4 (7)
O15—Cu1—O16	178.3 (2)	C16—C15—H15a	111.1
O2—Fe2—O4	93.1 (2)	C14—C15—H15a	111.1
O2—Fe2—O9	166.6 (2)	C16—C15—H15b	111.1
O2—Fe2—O11	87.7 (2)	C14—C15—H15b	111.1
O2—Fe2—O13	84.3 (2)	H15a—C15—H15b	109.0
O2—Fe2—O15	96.4 (2)	C15—C16—O13	105.3 (6)
O4—Fe2—O9	84.2 (2)	C15—C16—H16a	110.7
O4—Fe2—O11	168.9 (2)	O13—C16—H16a	110.7
O4—Fe2—O13	85.9 (2)	C15—C16—H16b	110.7
O4—Fe2—O15	97.8 (2)	O13—C16—H16b	110.7
O9—Fe2—O11	92.5 (2)	H16a—C16—H16b	108.8
O9—Fe2—O13	82.4 (2)	O14—C17—C18	104.3 (5)
O9—Fe2—O15	96.9 (2)	O14—C17—H17a	110.9
O11—Fe2—O13	83.3 (2)	C18—C17—H17a	110.9
O11—Fe2—O15	93.1 (2)	O14—C17—H17b	110.9
O13—Fe2—O15	176.3 (2)	C18—C17—H17b	110.9
O6—Fe3—O8	92.4 (3)	H17a—C17—H17b	108.9
O6—Fe3—O10	165.2 (2)	C17—C18—C19	103.6 (6)
O6—Fe3—O12	87.4 (2)	C17—C18—H18a	111.0
O6—Fe3—O14	84.3 (2)	C19—C18—H18a	111.0
O6—Fe3—O15	99.4 (2)	C17—C18—H18b	111.0
O8—Fe3—O10	85.9 (2)	C19—C18—H18b	111.0
O8—Fe3—O12	170.8 (2)	H18a—C18—H18b	109.0
O8—Fe3—O14	84.6 (2)	C20—C19—C18	103.7 (6)
O8—Fe3—O15	95.6 (2)	C20—C19—H19a	111.0
O10—Fe3—O12	91.9 (2)	C18—C19—H19a	111.0
O10—Fe3—O14	80.9 (2)	C20—C19—H19b	111.0
O10—Fe3—O15	95.4 (2)	C18—C19—H19b	111.0
O12—Fe3—O15	93.5 (2)	H19a—C19—H19b	109.0
O12—Fe3—O14	86.3 (2)	O14—C20—C19	105.7 (5)
O14—Fe3—O15	176.3 (2)	O14—C20—H20a	110.6
C1—O1—Cu1	129.3 (4)	C19—C20—H20a	110.6
C1—O2—Fe2	131.8 (4)	O14—C20—H20b	110.6
C3—O3—Cu1	124.3 (4)	C19—C20—H20b	110.6
C3—O4—Fe2	129.7 (5)	H20a—C20—H20b	108.7
C5—O5—Cu1	124.3 (4)	C22—C21—H21a	109.5
C5—O6—Fe3	136.5 (4)	C22—C21—H21b	109.5
C7—O7—Cu1	132.1 (5)	H21a—C21—H21b	109.5
C7—O8—Fe3	130.1 (5)	C22—C21—H21c	109.5
C9—O9—Fe2	128.1 (5)	H21a—C21—H21c	109.5
C9—O10—Fe3	131.7 (4)	H21b—C21—H21c	109.5
C11—O11—Fe2	128.5 (4)	C23—C22—C21	109.6 (10)
C11—O12—Fe3	129.2 (4)	C23—C22—H22a	109.8
C16—O13—C13	109.1 (5)	C21—C22—H22a	109.8
C16—O13—Fe2	126.0 (4)	C23—C22—H22b	109.8
C13—O13—Fe2	124.0 (4)	C21—C22—H22b	109.8
C20—O14—C17	110.4 (5)	H22a—C22—H22b	108.2
C20—O14—Fe3	125.2 (4)	C24—C23—C22	111.8 (9)
C17—O14—Fe3	124.0 (4)	C24—C23—H23a	109.3
Cu1—O15—Fe2	119.3 (2)	C22—C23—H23a	109.3
Cu1—O15—Fe3	118.4 (2)	C24—C23—H23b	109.3
Fe2—O15—Fe3	122.3 (2)	C22—C23—H23b	109.3
Cu1—O16—HO16a	121 (5)	H23a—C23—H23b	107.9
Cu1—O16—HO16b	119 (5)	C23—C24—C25	111.7 (9)
HO16a—O16—HO16b	103 (7)	C23—C24—H24a	109.3
O2—C1—O1	127.8 (6)	C25—C24—H24a	109.3
O2—C1—C2	116.6 (6)	C23—C24—H24b	109.3
O1—C1—C2	115.6 (6)	C25—C24—H24b	109.3
C1—C2—Cl1	113.5 (5)	H24a—C24—H24b	107.9
C1—C2—Cl3	109.3 (5)	C24—C25—C26	111.0 (10)
Cl1—C2—Cl3	109.5 (4)	C24—C25—H25a	109.4
C1—C2—Cl2	106.1 (5)	C26—C25—H25a	109.4
Cl1—C2—Cl2	109.3 (4)	C24—C25—H25b	109.4
Cl3—C2—Cl2	109.0 (4)	C26—C25—H25b	109.4
O3—C3—O4	129.4 (6)	H25a—C25—H25b	108.0
O3—C3—C4	117.9 (6)	C25—C26—H26a	109.5
O4—C3—C4	112.7 (6)	C25—C26—H26b	109.5
C3—C4—Cl4	111.8 (5)	H26a—C26—H26b	109.5
C3—C4—Cl6	113.0 (5)	C25—C26—H26c	109.5
Cl4—C4—Cl6	109.9 (4)	H26a—C26—H26c	109.5
C3—C4—Cl5	105.3 (5)	H26b—C26—H26c	109.5
Cl4—C4—Cl5	108.3 (4)	C22'—C21'—H21d	109.5
Cl6—C4—Cl5	108.2 (4)	C22'—C21'—H21e	109.5
O5—C5—O6	127.2 (6)	H21d—C21'—H21e	109.5
O5—C5—C6	119.6 (6)	C22'—C21'—H21f	109.5
O6—C5—C6	113.2 (5)	H21d—C21'—H21f	109.5
C5—C6—Cl7	112.5 (5)	H21e—C21'—H21f	109.5
C5—C6—Cl8	108.2 (5)	C23'—C22'—C21'	113.0 (10)
Cl7—C6—Cl8	109.2 (4)	C23'—C22'—H22c	109.0
C5—C6—Cl9	108.0 (5)	C21'—C22'—H22c	109.0
Cl7—C6—Cl9	109.5 (4)	C23'—C22'—H22d	109.0
Cl8—C6—Cl9	109.4 (4)	C21'—C22'—H22d	109.0
O8—C7—O7	128.1 (7)	H22c—C22'—H22d	107.8
O8—C7—C8	115.4 (6)	C22'—C23'—C24'	113.8 (9)
O7—C7—C8	116.5 (6)	C22'—C23'—H23c	108.8
C7—C8—Cl11	112.6 (5)	C24'—C23'—H23c	108.8
C7—C8—Cl12	111.1 (5)	C22'—C23'—H23d	108.8
Cl11—C8—Cl12	109.2 (4)	C24'—C23'—H23d	108.8
C7—C8—Cl10	107.0 (5)	H23c—C23'—H23d	107.7
Cl11—C8—Cl10	109.0 (5)	C23'—C24'—C25'	111.4 (9)
Cl12—C8—Cl10	107.8 (4)	C23'—C24'—H24c	109.3
O10—C9—O9	129.1 (6)	C25'—C24'—H24c	109.3
O10—C9—C10	113.9 (6)	C23'—C24'—H24d	109.3
O9—C9—C10	117.0 (6)	C25'—C24'—H24d	109.3
C9—C10—Cl13	109.4 (5)	H24c—C24'—H24d	108.0
C9—C10—Cl15	112.4 (5)	C24'—C25'—C26'	109.9 (10)
Cl13—C10—Cl15	109.6 (4)	C24'—C25'—H25c	109.7
C9—C10—Cl14	107.4 (5)	C26'—C25'—H25c	109.7
Cl13—C10—Cl14	109.0 (4)	C24'—C25'—H25d	109.7
Cl15—C10—Cl14	109.0 (4)	C26'—C25'—H25d	109.7
O12—C11—O11	129.7 (6)	H25c—C25'—H25d	108.2
O12—C11—C12	116.4 (6)	C25'—C26'—H26d	109.5
O11—C11—C12	113.8 (6)	C25'—C26'—H26e	109.5
C11—C12—Cl18	111.1 (5)	H26d—C26'—H26e	109.5
C11—C12—Cl17	111.8 (5)	C25'—C26'—H26f	109.5
Cl18—C12—Cl17	109.6 (4)	H26d—C26'—H26f	109.5
C11—C12—Cl16	105.4 (5)	H26e—C26'—H26f	109.5
Cl18—C12—Cl16	109.6 (4)
O15—Cu1—O1—C1	32.2 (6)	O7—Cu1—O15—Fe2	129.5 (3)
O16—Cu1—O1—C1	−148.8 (5)	O1—Cu1—O15—Fe2	−50.2 (3)
O3—Cu1—O1—C1	−62.6 (5)	O3—Cu1—O15—Fe2	39.8 (3)
O5—Cu1—O1—C1	125.6 (6)	O5—Cu1—O15—Fe2	−133.4 (2)
O15—Fe2—O2—C1	−11.3 (6)	O7—Cu1—O15—Fe3	−48.5 (3)
O4—Fe2—O2—C1	86.9 (6)	O1—Cu1—O15—Fe3	131.8 (2)
O9—Fe2—O2—C1	164.6 (8)	O3—Cu1—O15—Fe3	−138.3 (2)
O11—Fe2—O2—C1	−104.2 (6)	O5—Cu1—O15—Fe3	48.6 (2)
O13—Fe2—O2—C1	172.4 (6)	Fe2—O2—C1—O1	−7.8 (10)
O15—Cu1—O3—C3	3.6 (6)	Fe2—O2—C1—C2	171.5 (4)
O16—Cu1—O3—C3	−175.1 (6)	Cu1—O1—C1—O2	−5.7 (10)
O7—Cu1—O3—C3	−90.6 (6)	Cu1—O1—C1—C2	175.0 (4)
O1—Cu1—O3—C3	98.4 (6)	O2—C1—C2—Cl1	10.5 (8)
O5—Cu1—O3—C3	145.5 (9)	O1—C1—C2—Cl1	−170.2 (5)
O15—Fe2—O4—C3	26.4 (6)	O2—C1—C2—Cl3	133.0 (5)
O2—Fe2—O4—C3	−70.5 (6)	O1—C1—C2—Cl3	−47.6 (7)
O9—Fe2—O4—C3	122.7 (6)	O2—C1—C2—Cl2	−109.6 (6)
O11—Fe2—O4—C3	−164.4 (9)	O1—C1—C2—Cl2	69.8 (6)
O13—Fe2—O4—C3	−154.6 (6)	Cu1—O3—C3—O4	−33.9 (11)
O15—Cu1—O5—C5	−28.6 (6)	Cu1—O3—C3—C4	143.2 (5)
O16—Cu1—O5—C5	149.9 (6)	Fe2—O4—C3—O3	17.2 (11)
O7—Cu1—O5—C5	66.1 (6)	Fe2—O4—C3—C4	−160.0 (5)
O1—Cu1—O5—C5	−123.0 (6)	O3—C3—C4—Cl4	23.7 (9)
O3—Cu1—O5—C5	−170.6 (9)	O4—C3—C4—Cl4	−158.8 (5)
O15—Fe3—O6—C5	10.3 (8)	O3—C3—C4—Cl6	148.3 (6)
O8—Fe3—O6—C5	−85.7 (7)	O4—C3—C4—Cl6	−34.1 (7)
O10—Fe3—O6—C5	−168.9 (8)	O3—C3—C4—Cl5	−93.7 (7)
O12—Fe3—O6—C5	103.5 (7)	O4—C3—C4—Cl5	83.8 (6)
O14—Fe3—O6—C5	−170.0 (8)	Cu1—O5—C5—O6	0.7 (10)
O15—Cu1—O7—C7	20.7 (7)	Cu1—O5—C5—C6	−177.7 (4)
O16—Cu1—O7—C7	−158.3 (7)	Fe3—O6—C5—O5	11.2 (12)
O3—Cu1—O7—C7	115.4 (7)	Fe3—O6—C5—C6	−170.3 (5)
O5—Cu1—O7—C7	−73.8 (7)	O5—C5—C6—Cl7	−2.9 (9)
O15—Fe3—O8—C7	−21.8 (7)	O6—C5—C6—Cl7	178.5 (5)
O6—Fe3—O8—C7	77.9 (7)	O5—C5—C6—Cl8	117.9 (6)
O10—Fe3—O8—C7	−116.9 (7)	O6—C5—C6—Cl8	−60.8 (7)
O14—Fe3—O8—C7	161.9 (7)	O5—C5—C6—Cl9	−123.8 (6)
O15—Fe2—O9—C9	−11.7 (6)	O6—C5—C6—Cl9	57.5 (7)
O4—Fe2—O9—C9	−108.8 (6)	Fe3—O8—C7—O7	−4.9 (13)
O2—Fe2—O9—C9	172.4 (7)	Fe3—O8—C7—C8	176.4 (5)
O11—Fe2—O9—C9	81.8 (6)	Cu1—O7—C7—O8	5.2 (13)
O13—Fe2—O9—C9	164.6 (6)	Cu1—O7—C7—C8	−176.1 (5)
O15—Fe3—O10—C9	14.6 (7)	O8—C7—C8—Cl11	−21.2 (9)
O6—Fe3—O10—C9	−166.2 (8)	O7—C7—C8—Cl11	159.9 (6)
O8—Fe3—O10—C9	109.8 (7)	O8—C7—C8—Cl12	−144.0 (6)
O12—Fe3—O10—C9	−79.2 (7)	O7—C7—C8—Cl12	37.2 (9)
O14—Fe3—O10—C9	−165.1 (7)	O8—C7—C8—Cl10	98.6 (7)
O15—Fe2—O11—C11	16.1 (6)	O7—C7—C8—Cl10	−80.3 (8)
O4—Fe2—O11—C11	−153.2 (9)	Fe3—O10—C9—O9	14.1 (11)
O2—Fe2—O11—C11	112.4 (6)	Fe3—O10—C9—C10	−164.9 (5)
O9—Fe2—O11—C11	−81.0 (6)	Fe2—O9—C9—O10	−15.6 (11)
O13—Fe2—O11—C11	−163.0 (6)	Fe2—O9—C9—C10	163.3 (5)
O15—Fe3—O12—C11	−11.7 (6)	O10—C9—C10—Cl13	53.6 (7)
O6—Fe3—O12—C11	−110.9 (6)	O9—C9—C10—Cl13	−125.5 (6)
O10—Fe3—O12—C11	83.9 (6)	O10—C9—C10—Cl15	175.6 (5)
O14—Fe3—O12—C11	164.6 (6)	O9—C9—C10—Cl15	−3.5 (8)
O4—Fe2—O13—C16	135.0 (5)	O10—C9—C10—Cl14	−64.5 (7)
O2—Fe2—O13—C16	41.5 (5)	O9—C9—C10—Cl14	116.3 (6)
O9—Fe2—O13—C16	−140.3 (5)	Fe3—O12—C11—O11	−21.5 (11)
O11—Fe2—O13—C16	−46.8 (5)	Fe3—O12—C11—C12	154.6 (5)
O4—Fe2—O13—C13	−33.0 (5)	Fe2—O11—C11—O12	18.7 (10)
O2—Fe2—O13—C13	−126.5 (5)	Fe2—O11—C11—C12	−157.5 (4)
O9—Fe2—O13—C13	51.7 (5)	O12—C11—C12—Cl18	140.3 (5)
O11—Fe2—O13—C13	145.1 (5)	O11—C11—C12—Cl18	−43.0 (7)
O6—Fe3—O14—C20	−28.5 (6)	O12—C11—C12—Cl17	17.5 (8)
O8—Fe3—O14—C20	−121.5 (6)	O11—C11—C12—Cl17	−165.8 (5)
O10—Fe3—O14—C20	151.8 (6)	O12—C11—C12—Cl16	−101.1 (6)
O12—Fe3—O14—C20	59.3 (6)	O11—C11—C12—Cl16	75.6 (6)
O6—Fe3—O14—C17	144.2 (5)	C16—O13—C13—C14	−0.3 (9)
O8—Fe3—O14—C17	51.2 (5)	Fe2—O13—C13—C14	169.4 (7)
O10—Fe3—O14—C17	−35.5 (5)	O13—C13—C14—C15	−19.1 (12)
O12—Fe3—O14—C17	−128.0 (5)	C13—C14—C15—C16	31.1 (13)
O4—Fe2—O15—Fe3	127.0 (3)	C14—C15—C16—O13	−30.6 (11)
O2—Fe2—O15—Fe3	−139.0 (3)	C13—O13—C16—C15	19.8 (8)
O9—Fe2—O15—Fe3	42.0 (3)	Fe2—O13—C16—C15	−149.7 (6)
O11—Fe2—O15—Fe3	−51.0 (3)	C20—O14—C17—C18	15.8 (8)
O4—Fe2—O15—Cu1	−51.0 (3)	Fe3—O14—C17—C18	−157.8 (5)
O2—Fe2—O15—Cu1	43.1 (3)	O14—C17—C18—C19	−31.2 (8)
O9—Fe2—O15—Cu1	−136.0 (2)	C17—C18—C19—C20	35.1 (8)
O11—Fe2—O15—Cu1	131.1 (2)	C17—O14—C20—C19	6.4 (8)
O6—Fe3—O15—Fe2	137.6 (3)	Fe3—O14—C20—C19	179.9 (5)
O8—Fe3—O15—Fe2	−129.0 (3)	C18—C19—C20—O14	−25.7 (8)
O10—Fe3—O15—Fe2	−42.6 (3)	C21—C22—C23—C24	178 (3)
O12—Fe3—O15—Fe2	49.6 (3)	C22—C23—C24—C25	−170.6 (19)
O6—Fe3—O15—Cu1	−44.4 (3)	C23—C24—C25—C26	−72 (3)
O8—Fe3—O15—Cu1	49.0 (3)	C21'—C22'—C23'—C24'	62 (3)
O10—Fe3—O15—Cu1	135.4 (3)	C22'—C23'—C24'—C25'	172 (2)
O12—Fe3—O15—Cu1	−132.4 (2)	C23'—C24'—C25'—C26'	176 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O16—HO16a···O1^i	0.85 (1)	2.22 (4)	2.967 (7)	147 (7)
O16—HO16b···O5^i	0.85 (1)	2.09 (4)	2.872 (6)	152 (7)

Symmetry code: (i) −x+1, −y+1, −z+1.