Control of crystal structure using temperature and time

Three novel crystal structures were obtained from iron(III) acetylacetonate and 2,6-pyridinedicarboxylic acid. The structures elucidated were found to be dependent on the temperature and length of time allowed for the reaction. The product of the reaction between iron(III) acetylacetonate and 2,6-pyridine­dicarboxylic acid in acetonitrile at room temperature is [FeC₁₂H₁₂NO₇]·CH₃CN, (I). When the reaction temperature was increased to 60°C, FeC₁₂H₁₀NO₆, (II), was isolated after 2 h and [FeC₁₂H₁₀NO₆]₄, (III), was isolated after 24 h. (I) is a discrete complex, whereas (II) and (III) form tetramers.

Computing details

For all structures, program(s) used to refine structure: SHELXL2017/1 (Sheldrick, 2017).

(I)

Crystal data

C14H15FeN2O7	Z = 2
Mr = 379.13	F(000) = 390
Triclinic, P1	Dx = 1.551 Mg m^−3
a = 8.6448 (17) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.0260 (18) Å	Cell parameters from 22935 reflections
c = 10.773 (2) Å	θ = 1.9–28.5°
α = 93.169 (5)°	µ = 0.97 mm^−1
β = 100.097 (4)°	T = 173 K
γ = 99.996 (4)°	Block, red
V = 811.8 (3) Å^3	0.22 × 0.19 × 0.19 mm

Data collection

CCD detector diffractometer	3573 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.040
Absorption correction: multi-scan G. M. Sheldrick, SADABS, Version 2.05, University of Gottingen, Germany, 2007	θmax = 28.5°, θmin = 1.9°
Tmin = 0.905, Tmax = 1	h = −11→11
22935 measured reflections	k = −12→12
4072 independent reflections	l = −14→14

Refinement

Refinement on F^2	Hydrogen site location: mixed
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.030	w = 1/[σ^2(Fo^2) + (0.0312P)^2 + 0.3567P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.075	(Δ/σ)max = 0.001
S = 1.05	Δρmax = 0.46 e Å^−3
4072 reflections	Δρmin = −0.47 e Å^−3
222 parameters	Extinction correction: SHELXL-2017/1 (Sheldrick 2017), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0066 (10)

Special details

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

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

	x	y	z	Uiso*/Ueq
Fe1	0.46320 (3)	0.20831 (2)	0.77491 (2)	0.01856 (8)
O2	0.44718 (13)	0.21224 (13)	0.58467 (10)	0.0221 (2)
O1	0.55669 (14)	0.17060 (13)	0.41640 (10)	0.0239 (2)
O4	0.78817 (14)	0.08880 (15)	1.05692 (11)	0.0291 (3)
O3	0.57301 (13)	0.16050 (13)	0.94692 (10)	0.0216 (2)
O5	0.27937 (14)	0.28558 (13)	0.80993 (12)	0.0273 (3)
O6	0.58614 (14)	0.42002 (13)	0.80171 (12)	0.0269 (3)
O7	0.32582 (13)	−0.00186 (12)	0.74359 (10)	0.0212 (2)
H7A	0.323859	−0.035590	0.827234	0.032*
H7B	0.377045	−0.056918	0.709311	0.032*
N1	0.66642 (15)	0.13576 (14)	0.73883 (12)	0.0171 (3)
C1	0.55665 (18)	0.17288 (17)	0.53058 (15)	0.0189 (3)
C2	0.69162 (18)	0.12729 (17)	0.62090 (14)	0.0184 (3)
C3	0.82546 (19)	0.07832 (19)	0.59290 (16)	0.0240 (3)
H3	0.843942	0.071889	0.508570	0.029*
C4	0.9321 (2)	0.0388 (2)	0.69210 (17)	0.0282 (4)
H4	1.025737	0.005823	0.675906	0.034*
C5	0.90268 (19)	0.0472 (2)	0.81529 (16)	0.0248 (3)
H5	0.974330	0.019291	0.883533	0.030*
C6	0.76620 (18)	0.09728 (17)	0.83479 (14)	0.0190 (3)
C7	0.70694 (18)	0.11589 (18)	0.95766 (15)	0.0203 (3)
C8	0.0984 (3)	0.4403 (3)	0.8523 (2)	0.0465 (5)
H8A	0.019721	0.400577	0.775468	0.070*
H8B	0.097010	0.547540	0.870761	0.070*
H8C	0.071515	0.384460	0.923453	0.070*
C9	0.2616 (2)	0.4224 (2)	0.83257 (17)	0.0281 (4)
C10	0.3808 (2)	0.5478 (2)	0.84028 (18)	0.0323 (4)
H10	0.355024	0.644326	0.856212	0.039*
C11	0.5373 (2)	0.54137 (19)	0.82607 (15)	0.0256 (3)
C12	0.6565 (2)	0.6858 (2)	0.83842 (19)	0.0355 (4)
H12A	0.764601	0.663206	0.847905	0.053*
H12B	0.648391	0.749268	0.912942	0.053*
H12C	0.634437	0.739382	0.762492	0.053*
N2	1.0270 (3)	0.6977 (2)	0.6117 (2)	0.0661 (6)
C13	0.9051 (3)	0.6253 (2)	0.5761 (2)	0.0424 (5)
C14	0.7481 (3)	0.5321 (2)	0.5325 (2)	0.0445 (5)
H14C	0.753237	0.457745	0.464270	0.067*
H14A	0.671642	0.596036	0.501002	0.067*
H14B	0.713274	0.479543	0.602921	0.067*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.01999 (12)	0.01986 (13)	0.01880 (13)	0.00816 (8)	0.00730 (8)	0.00173 (8)
O2	0.0231 (5)	0.0270 (6)	0.0203 (6)	0.0119 (5)	0.0068 (4)	0.0050 (5)
O1	0.0287 (6)	0.0274 (6)	0.0174 (6)	0.0086 (5)	0.0059 (4)	0.0024 (4)
O4	0.0244 (6)	0.0457 (8)	0.0188 (6)	0.0088 (5)	0.0047 (5)	0.0080 (5)
O3	0.0232 (5)	0.0259 (6)	0.0179 (5)	0.0077 (5)	0.0067 (4)	0.0013 (4)
O5	0.0268 (6)	0.0243 (6)	0.0361 (7)	0.0116 (5)	0.0133 (5)	0.0020 (5)
O6	0.0291 (6)	0.0209 (6)	0.0324 (7)	0.0054 (5)	0.0100 (5)	0.0012 (5)
O7	0.0224 (5)	0.0237 (6)	0.0196 (6)	0.0066 (4)	0.0076 (4)	0.0013 (4)
N1	0.0178 (6)	0.0181 (6)	0.0166 (6)	0.0045 (5)	0.0054 (5)	0.0009 (5)
C1	0.0213 (7)	0.0165 (7)	0.0196 (7)	0.0038 (6)	0.0051 (6)	0.0019 (6)
C2	0.0197 (7)	0.0180 (7)	0.0179 (7)	0.0033 (6)	0.0051 (5)	0.0012 (6)
C3	0.0218 (8)	0.0319 (9)	0.0207 (8)	0.0078 (7)	0.0085 (6)	0.0003 (7)
C4	0.0211 (8)	0.0398 (10)	0.0276 (9)	0.0129 (7)	0.0085 (6)	0.0005 (7)
C5	0.0207 (7)	0.0315 (9)	0.0238 (8)	0.0090 (7)	0.0036 (6)	0.0038 (7)
C6	0.0193 (7)	0.0191 (7)	0.0189 (7)	0.0027 (6)	0.0053 (6)	0.0019 (6)
C7	0.0208 (7)	0.0208 (7)	0.0192 (8)	0.0021 (6)	0.0054 (6)	0.0021 (6)
C8	0.0427 (12)	0.0402 (12)	0.0692 (16)	0.0250 (10)	0.0268 (11)	0.0066 (11)
C9	0.0351 (9)	0.0295 (9)	0.0257 (9)	0.0173 (7)	0.0106 (7)	0.0019 (7)
C10	0.0417 (10)	0.0233 (9)	0.0352 (10)	0.0147 (8)	0.0092 (8)	−0.0018 (7)
C11	0.0373 (9)	0.0221 (8)	0.0173 (8)	0.0070 (7)	0.0036 (7)	0.0012 (6)
C12	0.0457 (11)	0.0230 (9)	0.0348 (10)	0.0019 (8)	0.0042 (8)	0.0000 (7)
N2	0.0635 (14)	0.0470 (12)	0.0884 (18)	−0.0017 (11)	0.0298 (13)	0.0006 (12)
C13	0.0539 (13)	0.0314 (10)	0.0492 (13)	0.0115 (10)	0.0239 (10)	0.0090 (9)
C14	0.0472 (12)	0.0378 (11)	0.0526 (13)	0.0137 (9)	0.0125 (10)	0.0115 (10)

Geometric parameters (Å, º)

Fe1—O5	1.9288 (12)	C4—H4	0.9500
Fe1—O6	1.9976 (12)	C5—C6	1.379 (2)
Fe1—O7	2.0322 (12)	C5—H5	0.9500
Fe1—O2	2.0324 (12)	C6—C7	1.512 (2)
Fe1—O3	2.0334 (12)	C8—C9	1.497 (3)
Fe1—N1	2.0680 (13)	C8—H8A	0.9800
O2—C1	1.2839 (19)	C8—H8B	0.9800
O1—C1	1.2292 (19)	C8—H8C	0.9800
O4—C7	1.2335 (19)	C9—C10	1.381 (3)
O3—C7	1.2791 (19)	C10—C11	1.399 (3)
O5—C9	1.286 (2)	C10—H10	0.9500
O6—C11	1.271 (2)	C11—C12	1.498 (2)
O7—H7A	0.9689	C12—H12A	0.9800
O7—H7B	0.8324	C12—H12B	0.9800
N1—C2	1.326 (2)	C12—H12C	0.9800
N1—C6	1.328 (2)	N2—C13	1.130 (3)
C1—C2	1.513 (2)	C13—C14	1.452 (3)
C2—C3	1.382 (2)	C14—H14C	0.9800
C3—C4	1.389 (2)	C14—H14A	0.9800
C3—H3	0.9500	C14—H14B	0.9800
C4—C5	1.395 (2)
O5—Fe1—O6	88.36 (5)	C6—C5—C4	117.82 (15)
O5—Fe1—O7	88.61 (5)	C6—C5—H5	121.1
O6—Fe1—O7	176.46 (5)	C4—C5—H5	121.1
O5—Fe1—O2	104.56 (5)	N1—C6—C5	120.73 (14)
O6—Fe1—O2	90.38 (5)	N1—C6—C7	111.03 (13)
O7—Fe1—O2	88.60 (5)	C5—C6—C7	128.24 (14)
O5—Fe1—O3	104.07 (5)	O4—C7—O3	126.01 (15)
O6—Fe1—O3	91.39 (5)	O4—C7—C6	119.33 (14)
O7—Fe1—O3	91.14 (5)	O3—C7—C6	114.66 (13)
O2—Fe1—O3	151.36 (5)	C9—C8—H8A	109.5
O5—Fe1—N1	177.30 (5)	C9—C8—H8B	109.5
O6—Fe1—N1	88.94 (5)	H8A—C8—H8B	109.5
O7—Fe1—N1	94.09 (5)	C9—C8—H8C	109.5
O2—Fe1—N1	75.51 (5)	H8A—C8—H8C	109.5
O3—Fe1—N1	75.94 (5)	H8B—C8—H8C	109.5
C1—O2—Fe1	120.46 (10)	O5—C9—C10	124.51 (16)
C7—O3—Fe1	119.71 (10)	O5—C9—C8	115.36 (17)
C9—O5—Fe1	130.17 (11)	C10—C9—C8	120.13 (17)
C11—O6—Fe1	128.66 (11)	C9—C10—C11	123.97 (17)
Fe1—O7—H7A	104.7	C9—C10—H10	118.0
Fe1—O7—H7B	106.7	C11—C10—H10	118.0
H7A—O7—H7B	105.8	O6—C11—C10	124.23 (16)
C2—N1—C6	122.31 (13)	O6—C11—C12	116.96 (16)
C2—N1—Fe1	119.08 (10)	C10—C11—C12	118.80 (16)
C6—N1—Fe1	118.61 (10)	C11—C12—H12A	109.5
O1—C1—O2	125.09 (15)	C11—C12—H12B	109.5
O1—C1—C2	121.04 (14)	H12A—C12—H12B	109.5
O2—C1—C2	113.88 (13)	C11—C12—H12C	109.5
N1—C2—C3	120.77 (14)	H12A—C12—H12C	109.5
N1—C2—C1	111.06 (13)	H12B—C12—H12C	109.5
C3—C2—C1	128.14 (14)	N2—C13—C14	179.1 (3)
C2—C3—C4	117.82 (15)	C13—C14—H14C	109.5
C2—C3—H3	121.1	C13—C14—H14A	109.5
C4—C3—H3	121.1	H14C—C14—H14A	109.5
C3—C4—C5	120.54 (15)	C13—C14—H14B	109.5
C3—C4—H4	119.7	H14C—C14—H14B	109.5
C5—C4—H4	119.7	H14A—C14—H14B	109.5
Fe1—O2—C1—O1	179.46 (12)	Fe1—N1—C6—C7	−0.09 (16)
Fe1—O2—C1—C2	−0.49 (17)	C4—C5—C6—N1	0.1 (2)
C6—N1—C2—C3	−0.5 (2)	C4—C5—C6—C7	179.69 (15)
Fe1—N1—C2—C3	−179.54 (11)	Fe1—O3—C7—O4	177.13 (13)
C6—N1—C2—C1	178.08 (13)	Fe1—O3—C7—C6	−2.51 (17)
Fe1—N1—C2—C1	−0.99 (16)	N1—C6—C7—O4	−178.04 (14)
O1—C1—C2—N1	−179.01 (14)	C5—C6—C7—O4	2.4 (3)
O2—C1—C2—N1	0.94 (18)	N1—C6—C7—O3	1.63 (19)
O1—C1—C2—C3	−0.6 (2)	C5—C6—C7—O3	−177.95 (15)
O2—C1—C2—C3	179.36 (15)	Fe1—O5—C9—C10	−2.2 (3)
N1—C2—C3—C4	−0.1 (2)	Fe1—O5—C9—C8	178.34 (14)
C1—C2—C3—C4	−178.39 (15)	O5—C9—C10—C11	−0.9 (3)
C2—C3—C4—C5	0.7 (3)	C8—C9—C10—C11	178.50 (19)
C3—C4—C5—C6	−0.7 (3)	Fe1—O6—C11—C10	0.7 (3)
C2—N1—C6—C5	0.5 (2)	Fe1—O6—C11—C12	−178.55 (11)
Fe1—N1—C6—C5	179.53 (12)	C9—C10—C11—O6	1.7 (3)
C2—N1—C6—C7	−179.16 (13)	C9—C10—C11—C12	−179.13 (17)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O4^i	0.97	1.75	2.620 (2)	148
O7—H7B···O1^ii	0.83	1.88	2.680 (2)	161
C4—H4···O7^iii	0.95	2.58	3.438 (2)	150
C5—H5···O4^iv	0.95	2.43	3.253 (2)	145
C10—H10···O3^v	0.95	2.59	3.316 (2)	133
C12—H12C···O1^vi	0.98	2.57	3.473 (2)	152
C14—H14B···O2^vi	0.98	2.32	3.270 (3)	164

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

(II)

Crystal data

C12H10FeNO6	Dx = 1.617 Mg m^−3
Mr = 320.06	Mo Kα radiation, λ = 0.71073 Å
Tetragonal, P421c	Cell parameters from 5813 reflections
a = 13.2415 (13) Å	θ = 2.7–25.9°
c = 14.9977 (17) Å	µ = 1.17 mm^−1
V = 2629.7 (6) Å^3	T = 173 K
Z = 8	Prism, red
F(000) = 1304	0.50 × 0.25 × 0.12 mm

Data collection

CCD detector diffractometer	2913 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.067
Absorption correction: multi-scan G. M. Sheldrick, SADABS, Version 2.05, Univeristy of Gottingen, Germany, 2007	θmax = 28.3°, θmin = 2.1°
Tmin = 0.890, Tmax = 1	h = −15→15
36874 measured reflections	k = −17→17
3279 independent reflections	l = −20→20

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.029	w = 1/[σ^2(Fo^2) + (0.0302P)^2 + 0.6617P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.067	(Δ/σ)max = 0.001
S = 1.04	Δρmax = 0.27 e Å^−3
3279 reflections	Δρmin = −0.33 e Å^−3
183 parameters	Absolute structure: Flack x determined using 1179 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
0 restraints	Absolute structure parameter: 0.000 (9)

Special details

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

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

	x	y	z	Uiso*/Ueq
Fe1	0.78103 (3)	−0.02743 (3)	0.38503 (3)	0.02069 (11)
O6	0.71691 (18)	−0.16249 (16)	0.39087 (14)	0.0303 (5)
O3	0.90655 (15)	−0.12378 (16)	0.62302 (13)	0.0238 (5)
O4	0.87831 (16)	−0.09162 (16)	0.47864 (12)	0.0210 (4)
O5	0.82251 (19)	−0.05933 (18)	0.26416 (14)	0.0315 (6)
C6	0.7634 (2)	−0.0257 (2)	0.58249 (18)	0.0203 (6)
O1	0.65995 (18)	0.05444 (18)	0.35439 (14)	0.0306 (6)
N1	0.7181 (2)	0.00586 (19)	0.50840 (15)	0.0202 (5)
C7	0.8574 (2)	−0.0844 (2)	0.55994 (18)	0.0197 (6)
O2	0.5270 (2)	0.1429 (2)	0.40487 (19)	0.0503 (7)
C8	0.8363 (3)	−0.1299 (3)	0.1199 (2)	0.0488 (10)
H8A	0.818419	−0.064217	0.094235	0.073*
H8B	0.804358	−0.183799	0.085019	0.073*
H8C	0.909762	−0.138429	0.118500	0.073*
C5	0.7246 (3)	−0.0006 (3)	0.6650 (2)	0.0289 (8)
H5	0.757264	−0.021613	0.718207	0.035*
C4	0.6360 (3)	0.0567 (3)	0.6680 (2)	0.0351 (8)
H4	0.606820	0.073760	0.723913	0.042*
C3	0.5909 (3)	0.0885 (3)	0.5900 (2)	0.0325 (8)
H3	0.531033	0.128054	0.591422	0.039*
C11	0.7075 (3)	−0.2295 (3)	0.3308 (2)	0.0280 (7)
C9	0.7996 (3)	−0.1350 (3)	0.21518 (19)	0.0296 (7)
C10	0.7460 (3)	−0.2183 (3)	0.2443 (2)	0.0335 (8)
H10	0.734454	−0.271436	0.203022	0.040*
C2	0.6346 (2)	0.0617 (2)	0.5094 (2)	0.0248 (6)
C1	0.6014 (3)	0.0898 (3)	0.4164 (2)	0.0313 (7)
C12	0.6543 (3)	−0.3233 (3)	0.3575 (2)	0.0378 (9)
H12A	0.695200	−0.360071	0.401159	0.057*
H12B	0.643542	−0.365861	0.304828	0.057*
H12C	0.588879	−0.306002	0.383972	0.057*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.0260 (2)	0.0196 (2)	0.01650 (16)	−0.00011 (19)	−0.00393 (18)	−0.00149 (17)
O6	0.0378 (13)	0.0255 (12)	0.0278 (10)	−0.0037 (10)	−0.0008 (11)	−0.0057 (10)
O3	0.0215 (11)	0.0311 (12)	0.0188 (9)	0.0025 (9)	−0.0012 (9)	0.0063 (9)
O4	0.0228 (11)	0.0221 (11)	0.0181 (9)	0.0054 (9)	−0.0022 (8)	0.0003 (8)
O5	0.0456 (16)	0.0277 (13)	0.0213 (10)	−0.0044 (11)	0.0009 (9)	−0.0045 (9)
C6	0.0197 (16)	0.0198 (15)	0.0215 (11)	−0.0026 (14)	−0.0012 (11)	−0.0006 (11)
O1	0.0285 (14)	0.0333 (14)	0.0300 (11)	0.0023 (10)	−0.0094 (10)	0.0044 (9)
N1	0.0192 (13)	0.0190 (13)	0.0223 (11)	−0.0003 (10)	−0.0022 (10)	−0.0028 (9)
C7	0.0186 (16)	0.0188 (16)	0.0217 (13)	−0.0017 (12)	−0.0019 (11)	0.0002 (11)
O2	0.0354 (16)	0.0511 (18)	0.0644 (18)	0.0194 (14)	−0.0103 (13)	0.0081 (14)
C8	0.069 (3)	0.050 (2)	0.0273 (16)	0.005 (2)	0.0056 (19)	−0.0118 (18)
C5	0.032 (2)	0.0311 (19)	0.0232 (13)	−0.0024 (14)	0.0026 (14)	−0.0025 (12)
C4	0.037 (2)	0.034 (2)	0.0341 (17)	0.0005 (16)	0.0105 (15)	−0.0099 (14)
C3	0.0235 (18)	0.0286 (19)	0.0455 (19)	0.0022 (14)	0.0066 (14)	−0.0070 (15)
C11	0.0273 (17)	0.0234 (17)	0.0334 (15)	0.0038 (14)	−0.0106 (13)	−0.0049 (12)
C9	0.033 (2)	0.0334 (19)	0.0219 (13)	0.0053 (15)	−0.0043 (12)	−0.0080 (12)
C10	0.040 (2)	0.0306 (18)	0.0299 (14)	−0.0026 (15)	−0.0038 (13)	−0.0125 (14)
C2	0.0196 (16)	0.0196 (16)	0.0352 (16)	0.0009 (12)	−0.0014 (13)	−0.0021 (12)
C1	0.0261 (19)	0.0277 (19)	0.0402 (17)	0.0001 (14)	−0.0079 (14)	0.0052 (14)
C12	0.042 (2)	0.029 (2)	0.0420 (18)	−0.0063 (17)	−0.0063 (16)	−0.0049 (15)

Geometric parameters (Å, º)

Fe1—O5	1.941 (2)	C6—C7	1.505 (4)
Fe1—O6	1.982 (2)	O1—C1	1.297 (4)
Fe1—O1	1.989 (2)	N1—C2	1.331 (4)
Fe1—O3^i	2.041 (2)	O2—C1	1.224 (4)
Fe1—N1	2.076 (2)	C8—C9	1.511 (5)
Fe1—O4	2.086 (2)	C5—C4	1.398 (5)
O6—C11	1.270 (4)	C4—C3	1.381 (5)
O3—C7	1.261 (3)	C3—C2	1.387 (4)
O4—C7	1.254 (3)	C11—C10	1.401 (5)
O5—C9	1.279 (4)	C11—C12	1.484 (5)
C6—N1	1.330 (4)	C9—C10	1.382 (5)
C6—C5	1.380 (4)	C2—C1	1.509 (4)
O5—Fe1—O6	88.06 (10)	C6—N1—C2	122.7 (3)
O5—Fe1—O1	97.53 (10)	C6—N1—Fe1	119.8 (2)
O6—Fe1—O1	99.02 (10)	C2—N1—Fe1	117.45 (19)
O5—Fe1—O3^i	86.60 (9)	O4—C7—O3	125.7 (3)
O6—Fe1—O3^i	167.16 (9)	O4—C7—C6	116.1 (3)
O1—Fe1—O3^i	93.25 (9)	O3—C7—C6	118.1 (2)
O5—Fe1—N1	172.79 (11)	C6—C5—C4	118.2 (3)
O6—Fe1—N1	88.87 (9)	C3—C4—C5	120.0 (3)
O1—Fe1—N1	76.52 (10)	C4—C3—C2	118.7 (3)
O3^i—Fe1—N1	97.69 (9)	O6—C11—C10	123.2 (3)
O5—Fe1—O4	111.41 (10)	O6—C11—C12	116.1 (3)
O6—Fe1—O4	82.36 (9)	C10—C11—C12	120.7 (3)
O1—Fe1—O4	151.06 (9)	O5—C9—C10	124.4 (3)
O3^i—Fe1—O4	88.74 (8)	O5—C9—C8	115.6 (3)
N1—Fe1—O4	74.60 (9)	C10—C9—C8	120.0 (3)
C11—O6—Fe1	129.8 (2)	C9—C10—C11	124.3 (3)
C7—O3—Fe1^ii	128.01 (19)	N1—C2—C3	119.9 (3)
C7—O4—Fe1	119.12 (19)	N1—C2—C1	111.6 (3)
C9—O5—Fe1	129.8 (2)	C3—C2—C1	128.4 (3)
N1—C6—C5	120.3 (3)	O2—C1—O1	126.0 (3)
N1—C6—C7	110.3 (2)	O2—C1—C2	120.4 (3)
C5—C6—C7	129.3 (3)	O1—C1—C2	113.6 (3)
C1—O1—Fe1	120.8 (2)

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

Hydrogen-bond geometry (Å)

D—H···A	D—H	H···A	D···A
C4—H4···O1^iii	0.95	2.37	3.2934 (4)

Symmetry code: (iii) y+1/2, x−1/2, z+1/2.

(III)

Crystal data

C48H40Fe4N4O24	Z = 2
Mr = 1280.24	F(000) = 1304
Triclinic, P1	Dx = 1.623 Mg m^−3
a = 14.5961 (7) Å	Mo Kα radiation, λ = 0.71073 Å
b = 14.7434 (8) Å	Cell parameters from 45513 reflections
c = 15.2140 (8) Å	θ = 2.5–23.0°
α = 112.713 (1)°	µ = 1.18 mm^−1
β = 106.080 (1)°	T = 173 K
γ = 105.946 (1)°	Prism, red
V = 2619.1 (2) Å^3	0.11 × 0.02 × 0.02 mm

Data collection

CCD detector diffractometer	7760 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.067
Absorption correction: multi-scan G. M. Sheldrick, SADABS, Version 2.05, Univeristy of Gottingen, Germany, 2007	θmax = 28.3°, θmin = 1.6°
Tmin = 0.863, Tmax = 1	h = −19→19
45405 measured reflections	k = −19→19
12959 independent reflections	l = −19→20

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.049	H-atom parameters constrained
wR(F^2) = 0.120	w = 1/[σ^2(Fo^2) + (0.0503P)^2 + 0.0133P] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.001
12959 reflections	Δρmax = 1.64 e Å^−3
729 parameters	Δρmin = −0.45 e Å^−3

Special details

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

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

	x	y	z	Uiso*/Ueq
Fe1B	0.33618 (3)	0.94244 (4)	0.13681 (4)	0.02689 (12)
Fe1D	−0.13856 (3)	0.75216 (4)	0.21034 (4)	0.02902 (13)
O1B	0.32259 (16)	0.86900 (18)	0.36906 (18)	0.0321 (6)
Fe1A	0.14136 (3)	1.15762 (4)	0.32805 (4)	0.02710 (12)
O1A	0.18211 (16)	0.91873 (18)	0.10457 (18)	0.0312 (5)
Fe1C	0.22433 (3)	0.71067 (4)	0.31405 (4)	0.03180 (13)
O1D	0.10256 (16)	1.06568 (17)	0.39415 (17)	0.0290 (5)
O5B	0.48093 (16)	0.95311 (19)	0.16037 (19)	0.0360 (6)
N1D	−0.03025 (19)	0.8123 (2)	0.3635 (2)	0.0250 (6)
O2B	0.31971 (17)	0.85765 (18)	0.21723 (18)	0.0314 (5)
O2A	0.20291 (16)	1.05319 (18)	0.25550 (18)	0.0309 (5)
O1C	−0.04630 (16)	0.71403 (18)	0.13438 (18)	0.0324 (6)
N1B	0.40271 (17)	1.0620 (2)	0.2950 (2)	0.0231 (6)
O3A	0.02461 (17)	1.20196 (19)	0.32182 (19)	0.0343 (6)
O6D	−0.25200 (17)	0.69947 (19)	0.07432 (18)	0.0356 (6)
O6B	0.28499 (17)	0.82566 (19)	−0.00535 (18)	0.0346 (6)
O3B	0.37208 (17)	1.08200 (19)	0.13274 (18)	0.0344 (6)
N1A	0.02375 (18)	1.0453 (2)	0.1747 (2)	0.0262 (6)
O5D	−0.23012 (16)	0.79848 (19)	0.27557 (18)	0.0383 (6)
O2C	0.09385 (17)	0.74367 (19)	0.26844 (18)	0.0349 (6)
O6C	0.27167 (17)	0.7620 (2)	0.46531 (19)	0.0379 (6)
O6A	0.24508 (17)	1.26916 (18)	0.47266 (19)	0.0381 (6)
N1C	0.16766 (19)	0.6482 (2)	0.1504 (2)	0.0295 (6)
O3C	0.32718 (17)	0.6567 (2)	0.2787 (2)	0.0413 (6)
O3D	−0.16769 (19)	0.62034 (18)	0.2271 (2)	0.0410 (6)
O5A	0.21022 (18)	1.2542 (2)	0.2805 (2)	0.0426 (6)
O5C	0.12690 (18)	0.5689 (2)	0.2880 (2)	0.0472 (7)
C1C	0.0393 (2)	0.7083 (3)	0.1712 (3)	0.0299 (8)
O4A	−0.14524 (18)	1.1616 (2)	0.2326 (2)	0.0443 (7)
C1B	0.3441 (2)	0.9102 (3)	0.3146 (3)	0.0283 (8)
C2D	0.0420 (2)	0.9152 (2)	0.4190 (2)	0.0226 (7)
C2A	0.0374 (2)	0.9640 (3)	0.1097 (3)	0.0271 (7)
C6C	0.2224 (2)	0.6065 (3)	0.1037 (3)	0.0338 (8)
C1D	0.0334 (2)	0.9713 (3)	0.3547 (3)	0.0240 (7)
O4C	0.38178 (19)	0.5863 (2)	0.1555 (2)	0.0601 (9)
C11B	0.3359 (3)	0.7918 (3)	−0.0578 (3)	0.0302 (8)
C6A	−0.0690 (2)	1.0505 (3)	0.1499 (3)	0.0293 (8)
C6B	0.4368 (2)	1.1652 (3)	0.3183 (3)	0.0278 (8)
O4B	0.4533 (2)	1.2649 (2)	0.2273 (2)	0.0533 (8)
C6D	−0.0327 (2)	0.7432 (3)	0.3997 (3)	0.0288 (8)
C2B	0.4001 (2)	1.0328 (3)	0.3674 (3)	0.0253 (7)
C3D	0.1172 (2)	0.9566 (3)	0.5206 (3)	0.0278 (7)
H3D	0.169038	1.030190	0.561046	0.033*
C9B	0.5122 (3)	0.9118 (3)	0.0909 (3)	0.0364 (9)
C3B	0.4376 (2)	1.1096 (3)	0.4711 (3)	0.0329 (8)
H3B	0.436832	1.088956	0.522909	0.039*
C1A	0.1497 (2)	0.9783 (3)	0.1600 (3)	0.0267 (7)
C3A	−0.0424 (2)	0.8820 (3)	0.0130 (3)	0.0343 (8)
H3A	−0.032022	0.824459	−0.032894	0.041*
C7A	−0.0657 (3)	1.1453 (3)	0.2402 (3)	0.0336 (8)
C2C	0.0828 (2)	0.6552 (3)	0.0974 (3)	0.0294 (8)
C5B	0.4753 (2)	1.2476 (3)	0.4212 (3)	0.0353 (9)
H5B	0.500152	1.321843	0.438696	0.042*
C4A	−0.1404 (3)	0.8875 (3)	−0.0148 (3)	0.0399 (9)
H4A	−0.197733	0.832669	−0.081069	0.048*
C10B	0.4452 (3)	0.8349 (3)	−0.0152 (3)	0.0388 (9)
H10B	0.476562	0.810633	−0.061208	0.047*
C5D	0.0395 (3)	0.7786 (3)	0.5007 (3)	0.0335 (8)
H5D	0.038311	0.730555	0.528118	0.040*
C7B	0.4214 (2)	1.1754 (3)	0.2202 (3)	0.0340 (8)
C9A	0.2737 (3)	1.3566 (3)	0.3370 (4)	0.0474 (11)
C7D	−0.1151 (3)	0.6288 (3)	0.3168 (3)	0.0389 (9)
C3C	0.0474 (3)	0.6165 (3)	−0.0094 (3)	0.0341 (8)
H3C	−0.013127	0.621202	−0.047478	0.041*
C10D	−0.3919 (3)	0.6940 (3)	0.1232 (3)	0.0444 (10)
H10D	−0.466497	0.661902	0.097851	0.053*
C5A	−0.1541 (2)	0.9718 (3)	0.0533 (3)	0.0376 (9)
H5A	−0.220017	0.975693	0.034491	0.045*
O4D	−0.1249 (2)	0.5549 (2)	0.3362 (2)	0.0595 (8)
C4D	0.1136 (3)	0.8868 (3)	0.5601 (3)	0.0342 (8)
H4D	0.163090	0.913308	0.629976	0.041*
C4C	0.1015 (3)	0.5705 (3)	−0.0603 (3)	0.0403 (9)
H4C	0.077519	0.542075	−0.134312	0.048*
C7C	0.3185 (3)	0.6149 (3)	0.1830 (4)	0.0413 (10)
C9D	−0.3307 (3)	0.7588 (3)	0.2325 (3)	0.0417 (9)
C4B	0.4767 (2)	1.2187 (3)	0.4984 (3)	0.0377 (9)
H4B	0.504576	1.273727	0.570084	0.045*
C10C	0.1794 (3)	0.6029 (4)	0.4631 (4)	0.0496 (11)
H10C	0.171225	0.570715	0.505510	0.059*
C11D	−0.3513 (3)	0.6739 (3)	0.0503 (3)	0.0353 (9)
C12B	0.2715 (3)	0.7010 (3)	−0.1674 (3)	0.0413 (9)
H12D	0.238636	0.633600	−0.167026	0.062*
H12E	0.316646	0.692344	−0.204240	0.062*
H12F	0.216346	0.716546	−0.203820	0.062*
C9C	0.1197 (3)	0.5376 (3)	0.3548 (4)	0.0468 (11)
C11C	0.2498 (3)	0.7112 (3)	0.5140 (3)	0.0394 (9)
C12D	−0.4214 (3)	0.6235 (3)	−0.0651 (3)	0.0485 (11)
H12J	−0.406929	0.678611	−0.086523	0.073*
H12K	−0.495551	0.595331	−0.077311	0.073*
H12L	−0.407428	0.563571	−0.106681	0.073*
C5C	0.1909 (3)	0.5660 (3)	−0.0032 (3)	0.0406 (9)
H5C	0.229433	0.535709	−0.037003	0.049*
C12C	0.3037 (3)	0.7784 (4)	0.6335 (3)	0.0547 (12)
H12G	0.355270	0.850762	0.655637	0.082*
H12H	0.339903	0.742079	0.661979	0.082*
H12I	0.250734	0.785658	0.660253	0.082*
C10A	0.3182 (3)	1.4138 (3)	0.4459 (4)	0.0520 (11)
H10A	0.362339	1.489529	0.480299	0.062*
C11A	0.3036 (3)	1.3699 (3)	0.5082 (3)	0.0461 (10)
C8B	0.6295 (3)	0.9499 (4)	0.1301 (4)	0.0582 (12)
H8BA	0.662731	1.026590	0.149630	0.087*
H8BB	0.645230	0.905823	0.074303	0.087*
H8BC	0.657263	0.942328	0.192097	0.087*
C8D	−0.3804 (3)	0.7928 (4)	0.3066 (4)	0.0721 (15)
H8DA	−0.337483	0.803549	0.375179	0.108*
H8DB	−0.451731	0.735854	0.277072	0.108*
H8DC	−0.384164	0.860985	0.315900	0.108*
C8C	0.0401 (3)	0.4231 (3)	0.3103 (4)	0.0680 (15)
H8CA	−0.029323	0.422113	0.301324	0.102*
H8CB	0.061746	0.396630	0.359009	0.102*
H8CC	0.036145	0.375805	0.241752	0.102*
C8A	0.3002 (4)	1.4100 (4)	0.2738 (4)	0.0672 (14)
H8AA	0.355727	1.394752	0.255647	0.101*
H8AB	0.324947	1.488890	0.316182	0.101*
H8AC	0.236911	1.380656	0.208934	0.101*
C12A	0.3597 (3)	1.4385 (3)	0.6273 (3)	0.0717 (15)
H12A	0.307709	1.432888	0.656499	0.107*
H12B	0.398220	1.514708	0.647849	0.107*
H12C	0.409513	1.412446	0.654779	0.107*
O2D	−0.04394 (16)	0.91557 (17)	0.26408 (17)	0.0289 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1B	0.0237 (2)	0.0283 (3)	0.0247 (3)	0.0082 (2)	0.0125 (2)	0.0102 (2)
Fe1D	0.0251 (2)	0.0263 (3)	0.0245 (3)	0.0046 (2)	0.0107 (2)	0.0070 (2)
O1B	0.0355 (12)	0.0302 (13)	0.0317 (14)	0.0102 (11)	0.0171 (11)	0.0173 (12)
Fe1A	0.0241 (2)	0.0228 (2)	0.0314 (3)	0.00654 (19)	0.0136 (2)	0.0121 (2)
O1A	0.0248 (11)	0.0331 (13)	0.0307 (14)	0.0105 (10)	0.0149 (10)	0.0109 (11)
Fe1C	0.0292 (2)	0.0300 (3)	0.0343 (3)	0.0095 (2)	0.0151 (2)	0.0156 (2)
O1D	0.0287 (11)	0.0229 (12)	0.0298 (13)	0.0053 (10)	0.0128 (10)	0.0120 (11)
O5B	0.0233 (11)	0.0399 (15)	0.0356 (15)	0.0105 (11)	0.0143 (11)	0.0116 (12)
N1D	0.0269 (13)	0.0201 (14)	0.0280 (16)	0.0085 (11)	0.0168 (12)	0.0098 (12)
O2B	0.0360 (12)	0.0241 (12)	0.0288 (14)	0.0085 (10)	0.0157 (11)	0.0102 (11)
O2A	0.0232 (11)	0.0315 (13)	0.0290 (14)	0.0101 (10)	0.0099 (10)	0.0091 (11)
O1C	0.0299 (12)	0.0344 (14)	0.0306 (14)	0.0129 (11)	0.0165 (10)	0.0123 (11)
N1B	0.0173 (12)	0.0216 (14)	0.0234 (15)	0.0043 (11)	0.0081 (11)	0.0082 (12)
O3A	0.0337 (12)	0.0341 (14)	0.0431 (16)	0.0168 (11)	0.0207 (11)	0.0222 (12)
O6D	0.0322 (12)	0.0392 (14)	0.0283 (14)	0.0115 (11)	0.0140 (11)	0.0124 (12)
O6B	0.0311 (12)	0.0349 (14)	0.0275 (14)	0.0113 (11)	0.0154 (11)	0.0063 (11)
O3B	0.0331 (12)	0.0374 (14)	0.0305 (14)	0.0107 (11)	0.0134 (11)	0.0183 (12)
N1A	0.0219 (12)	0.0323 (16)	0.0316 (17)	0.0112 (12)	0.0162 (12)	0.0195 (14)
O5D	0.0272 (12)	0.0413 (15)	0.0258 (14)	0.0059 (11)	0.0128 (10)	0.0034 (12)
O2C	0.0321 (12)	0.0436 (15)	0.0261 (14)	0.0164 (11)	0.0161 (11)	0.0122 (12)
O6C	0.0375 (13)	0.0425 (15)	0.0355 (15)	0.0115 (12)	0.0178 (11)	0.0238 (13)
O6A	0.0303 (12)	0.0255 (13)	0.0385 (15)	0.0004 (10)	0.0116 (11)	0.0082 (12)
N1C	0.0268 (13)	0.0213 (14)	0.0311 (17)	0.0041 (12)	0.0155 (12)	0.0071 (13)
O3C	0.0327 (13)	0.0343 (14)	0.0477 (18)	0.0138 (11)	0.0144 (12)	0.0148 (13)
O3D	0.0459 (14)	0.0227 (13)	0.0359 (16)	0.0015 (11)	0.0180 (12)	0.0070 (12)
O5A	0.0447 (14)	0.0352 (15)	0.0505 (17)	0.0101 (12)	0.0297 (13)	0.0225 (13)
O5C	0.0408 (14)	0.0374 (15)	0.0544 (18)	0.0079 (12)	0.0163 (13)	0.0240 (14)
C1C	0.0297 (17)	0.0225 (17)	0.033 (2)	0.0061 (14)	0.0165 (16)	0.0109 (16)
O4A	0.0400 (14)	0.0572 (17)	0.0613 (19)	0.0315 (13)	0.0323 (13)	0.0380 (15)
C1B	0.0250 (15)	0.0328 (19)	0.034 (2)	0.0158 (15)	0.0154 (15)	0.0190 (17)
C2D	0.0235 (14)	0.0216 (16)	0.0252 (18)	0.0102 (13)	0.0162 (13)	0.0098 (14)
C2A	0.0255 (15)	0.0285 (18)	0.027 (2)	0.0066 (14)	0.0132 (14)	0.0160 (16)
C6C	0.0290 (17)	0.0189 (17)	0.041 (2)	0.0032 (14)	0.0186 (16)	0.0059 (16)
C1D	0.0243 (15)	0.0239 (17)	0.0285 (19)	0.0115 (14)	0.0168 (14)	0.0128 (15)
O4C	0.0350 (14)	0.0475 (18)	0.076 (2)	0.0173 (13)	0.0260 (15)	0.0099 (16)
C11B	0.0398 (19)	0.0285 (18)	0.031 (2)	0.0163 (16)	0.0225 (16)	0.0170 (16)
C6A	0.0267 (16)	0.043 (2)	0.037 (2)	0.0175 (15)	0.0211 (15)	0.0300 (18)
C6B	0.0195 (14)	0.0280 (18)	0.030 (2)	0.0068 (14)	0.0100 (14)	0.0127 (16)
O4B	0.0593 (17)	0.0371 (16)	0.062 (2)	0.0119 (14)	0.0211 (15)	0.0325 (15)
C6D	0.0378 (18)	0.0246 (17)	0.033 (2)	0.0144 (15)	0.0242 (16)	0.0154 (16)
C2B	0.0176 (14)	0.0319 (18)	0.0267 (19)	0.0099 (13)	0.0112 (13)	0.0144 (16)
C3D	0.0278 (16)	0.0264 (18)	0.0242 (19)	0.0100 (14)	0.0115 (14)	0.0091 (15)
C9B	0.0335 (18)	0.033 (2)	0.048 (3)	0.0145 (16)	0.0258 (18)	0.0189 (19)
C3B	0.0293 (17)	0.038 (2)	0.027 (2)	0.0132 (16)	0.0089 (15)	0.0146 (17)
C1A	0.0214 (15)	0.0274 (18)	0.033 (2)	0.0075 (14)	0.0160 (15)	0.0156 (16)
C3A	0.0293 (17)	0.043 (2)	0.028 (2)	0.0090 (16)	0.0164 (15)	0.0173 (18)
C7A	0.0352 (18)	0.039 (2)	0.050 (2)	0.0200 (17)	0.0294 (18)	0.0326 (19)
C2C	0.0298 (16)	0.0248 (17)	0.030 (2)	0.0075 (14)	0.0157 (15)	0.0117 (16)
C5B	0.0248 (16)	0.0227 (18)	0.041 (2)	0.0049 (14)	0.0104 (16)	0.0068 (17)
C4A	0.0269 (17)	0.053 (2)	0.031 (2)	0.0062 (17)	0.0095 (15)	0.023 (2)
C10B	0.0380 (19)	0.042 (2)	0.040 (2)	0.0180 (18)	0.0267 (18)	0.0171 (19)
C5D	0.047 (2)	0.038 (2)	0.034 (2)	0.0270 (18)	0.0264 (17)	0.0231 (18)
C7B	0.0267 (16)	0.032 (2)	0.044 (2)	0.0105 (16)	0.0143 (16)	0.0226 (19)
C9A	0.041 (2)	0.040 (2)	0.087 (4)	0.0226 (19)	0.044 (2)	0.040 (2)
C7D	0.047 (2)	0.0245 (19)	0.041 (2)	0.0106 (17)	0.0258 (19)	0.0111 (18)
C3C	0.0333 (18)	0.0288 (19)	0.032 (2)	0.0045 (15)	0.0163 (16)	0.0129 (17)
C10D	0.0235 (17)	0.050 (2)	0.039 (2)	0.0030 (17)	0.0110 (17)	0.014 (2)
C5A	0.0248 (16)	0.061 (3)	0.039 (2)	0.0185 (17)	0.0188 (16)	0.032 (2)
O4D	0.077 (2)	0.0255 (14)	0.067 (2)	0.0119 (14)	0.0269 (17)	0.0252 (15)
C4D	0.0381 (18)	0.036 (2)	0.025 (2)	0.0174 (17)	0.0131 (15)	0.0119 (17)
C4C	0.044 (2)	0.034 (2)	0.032 (2)	0.0057 (17)	0.0225 (18)	0.0091 (18)
C7C	0.0305 (18)	0.0226 (19)	0.059 (3)	0.0064 (16)	0.0217 (19)	0.0113 (19)
C9D	0.0301 (18)	0.044 (2)	0.035 (2)	0.0047 (17)	0.0177 (17)	0.0112 (19)
C4B	0.0307 (18)	0.036 (2)	0.027 (2)	0.0092 (16)	0.0094 (15)	0.0042 (17)
C10C	0.050 (2)	0.060 (3)	0.070 (3)	0.028 (2)	0.035 (2)	0.051 (3)
C11D	0.0327 (18)	0.033 (2)	0.030 (2)	0.0113 (16)	0.0100 (16)	0.0105 (17)
C12B	0.053 (2)	0.037 (2)	0.029 (2)	0.0190 (18)	0.0194 (18)	0.0121 (18)
C9C	0.035 (2)	0.040 (2)	0.076 (3)	0.0199 (18)	0.026 (2)	0.035 (2)
C11C	0.0346 (18)	0.061 (3)	0.049 (3)	0.0292 (19)	0.0275 (18)	0.038 (2)
C12D	0.045 (2)	0.054 (3)	0.031 (2)	0.023 (2)	0.0074 (17)	0.012 (2)
C5C	0.0374 (19)	0.0266 (19)	0.041 (2)	0.0032 (16)	0.0274 (18)	0.0014 (17)
C12C	0.050 (2)	0.087 (3)	0.052 (3)	0.035 (2)	0.034 (2)	0.044 (3)
C10A	0.045 (2)	0.024 (2)	0.071 (3)	0.0027 (18)	0.028 (2)	0.015 (2)
C11A	0.0351 (19)	0.029 (2)	0.055 (3)	0.0061 (17)	0.0186 (19)	0.009 (2)
C8B	0.032 (2)	0.058 (3)	0.069 (3)	0.015 (2)	0.028 (2)	0.017 (2)
C8D	0.033 (2)	0.097 (4)	0.047 (3)	0.004 (2)	0.027 (2)	0.010 (3)
C8C	0.052 (2)	0.045 (3)	0.112 (4)	0.014 (2)	0.030 (3)	0.052 (3)
C8A	0.081 (3)	0.056 (3)	0.107 (4)	0.034 (3)	0.067 (3)	0.058 (3)
C12A	0.058 (3)	0.039 (3)	0.055 (3)	−0.012 (2)	0.015 (2)	−0.004 (2)
O2D	0.0268 (11)	0.0277 (12)	0.0246 (13)	0.0062 (10)	0.0081 (10)	0.0121 (11)

Geometric parameters (Å, º)

Fe1B—O6B	1.929 (2)	O4B—C7B	1.222 (4)
Fe1B—O5B	1.993 (2)	C6D—C5D	1.387 (4)
Fe1B—O3B	2.009 (2)	C6D—C7D	1.511 (5)
Fe1B—O1A	2.060 (2)	C2B—C3B	1.369 (5)
Fe1B—O2B	2.073 (2)	C3D—C4D	1.375 (5)
Fe1B—N1B	2.081 (3)	C3D—H3D	0.9500
Fe1D—O6D	1.945 (2)	C9B—C10B	1.397 (5)
Fe1D—O5D	1.987 (2)	C9B—C8B	1.500 (5)
Fe1D—O3D	2.003 (2)	C3B—C4B	1.390 (5)
Fe1D—O1C	2.060 (2)	C3B—H3B	0.9500
Fe1D—N1D	2.076 (3)	C3A—C4A	1.410 (5)
Fe1D—O2D	2.099 (2)	C3A—H3A	0.9500
O1B—C1B	1.258 (4)	C2C—C3C	1.374 (5)
O1B—Fe1C	2.048 (2)	C5B—C4B	1.394 (5)
Fe1A—O6A	1.957 (2)	C5B—H5B	0.9500
Fe1A—O3A	1.978 (2)	C4A—C5A	1.383 (5)
Fe1A—O5A	1.993 (2)	C4A—H4A	0.9500
Fe1A—O1D	2.029 (2)	C10B—H10B	0.9500
Fe1A—N1A	2.090 (3)	C5D—C4D	1.389 (5)
Fe1A—O2A	2.096 (2)	C5D—H5D	0.9500
O1A—C1A	1.258 (4)	C9A—C10A	1.379 (6)
Fe1C—O6C	1.958 (2)	C9A—C8A	1.521 (6)
Fe1C—O3C	1.987 (3)	C7D—O4D	1.217 (4)
Fe1C—O5C	1.991 (3)	C3C—C4C	1.382 (5)
Fe1C—O2C	2.094 (2)	C3C—H3C	0.9500
Fe1C—N1C	2.098 (3)	C10D—C11D	1.370 (5)
O1D—C1D	1.250 (3)	C10D—C9D	1.399 (5)
O5B—C9B	1.272 (4)	C10D—H10D	0.9500
N1D—C6D	1.328 (4)	C5A—H5A	0.9500
N1D—C2D	1.329 (4)	C4D—H4D	0.9500
O2B—C1B	1.261 (4)	C4C—C5C	1.388 (5)
O2A—C1A	1.264 (4)	C4C—H4C	0.9500
O1C—C1C	1.261 (4)	C9D—C8D	1.504 (6)
N1B—C6B	1.326 (4)	C4B—H4B	0.9500
N1B—C2B	1.334 (4)	C10C—C11C	1.382 (5)
O3A—C7A	1.290 (4)	C10C—C9C	1.385 (6)
O6D—C11D	1.294 (4)	C10C—H10C	0.9500
O6B—C11B	1.289 (4)	C11D—C12D	1.503 (5)
O3B—C7B	1.302 (4)	C12B—H12D	0.9800
N1A—C6A	1.333 (4)	C12B—H12E	0.9800
N1A—C2A	1.335 (4)	C12B—H12F	0.9800
O5D—C9D	1.276 (4)	C9C—C8C	1.505 (5)
O2C—C1C	1.271 (4)	C11C—C12C	1.515 (6)
O6C—C11C	1.281 (4)	C12D—H12J	0.9800
O6A—C11A	1.286 (4)	C12D—H12K	0.9800
N1C—C6C	1.329 (4)	C12D—H12L	0.9800
N1C—C2C	1.333 (4)	C5C—H5C	0.9500
O3C—C7C	1.295 (5)	C12C—H12G	0.9800
O3D—C7D	1.305 (4)	C12C—H12H	0.9800
O5A—C9A	1.291 (4)	C12C—H12I	0.9800
O5C—C9C	1.285 (5)	C10A—C11A	1.370 (6)
C1C—C2C	1.506 (5)	C10A—H10A	0.9500
O4A—C7A	1.233 (4)	C11A—C12A	1.511 (6)
C1B—C2B	1.511 (4)	C8B—H8BA	0.9800
C2D—C3D	1.389 (4)	C8B—H8BB	0.9800
C2D—C1D	1.507 (4)	C8B—H8BC	0.9800
C2A—C3A	1.373 (4)	C8D—H8DA	0.9800
C2A—C1A	1.518 (4)	C8D—H8DB	0.9800
C6C—C5C	1.378 (5)	C8D—H8DC	0.9800
C6C—C7C	1.514 (5)	C8C—H8CA	0.9800
C1D—O2D	1.267 (3)	C8C—H8CB	0.9800
O4C—C7C	1.223 (4)	C8C—H8CC	0.9800
C11B—C10B	1.386 (4)	C8A—H8AA	0.9800
C11B—C12B	1.474 (5)	C8A—H8AB	0.9800
C6A—C5A	1.389 (5)	C8A—H8AC	0.9800
C6A—C7A	1.513 (5)	C12A—H12A	0.9800
C6B—C5B	1.382 (5)	C12A—H12B	0.9800
C6B—C7B	1.520 (5)	C12A—H12C	0.9800
O6B—Fe1B—O5B	88.27 (10)	C2B—C3B—C4B	118.1 (3)
O6B—Fe1B—O3B	107.29 (10)	C2B—C3B—H3B	120.9
O5B—Fe1B—O3B	91.51 (10)	C4B—C3B—H3B	120.9
O6B—Fe1B—O1A	87.97 (9)	O1A—C1A—O2A	126.2 (3)
O5B—Fe1B—O1A	175.58 (10)	O1A—C1A—C2A	118.9 (3)
O3B—Fe1B—O1A	91.82 (9)	O2A—C1A—C2A	114.8 (3)
O6B—Fe1B—O2B	101.62 (10)	C2A—C3A—C4A	116.8 (4)
O5B—Fe1B—O2B	91.71 (10)	C2A—C3A—H3A	121.6
O3B—Fe1B—O2B	150.99 (10)	C4A—C3A—H3A	121.6
O1A—Fe1B—O2B	86.78 (9)	O4A—C7A—O3A	125.8 (4)
O6B—Fe1B—N1B	173.91 (10)	O4A—C7A—C6A	120.4 (3)
O5B—Fe1B—N1B	86.80 (10)	O3A—C7A—C6A	113.8 (3)
O3B—Fe1B—N1B	76.43 (10)	N1C—C2C—C3C	120.4 (3)
O1A—Fe1B—N1B	96.81 (9)	N1C—C2C—C1C	110.0 (3)
O2B—Fe1B—N1B	74.97 (10)	C3C—C2C—C1C	129.6 (3)
O6D—Fe1D—O5D	87.24 (10)	C6B—C5B—C4B	118.0 (3)
O6D—Fe1D—O3D	103.23 (10)	C6B—C5B—H5B	121.0
O5D—Fe1D—O3D	93.63 (11)	C4B—C5B—H5B	121.0
O6D—Fe1D—O1C	88.91 (9)	C5A—C4A—C3A	120.8 (3)
O5D—Fe1D—O1C	173.56 (10)	C5A—C4A—H4A	119.6
O3D—Fe1D—O1C	92.27 (10)	C3A—C4A—H4A	119.6
O6D—Fe1D—N1D	172.91 (10)	C11B—C10B—C9B	124.3 (3)
O5D—Fe1D—N1D	85.72 (10)	C11B—C10B—H10B	117.8
O3D—Fe1D—N1D	76.49 (10)	C9B—C10B—H10B	117.8
O1C—Fe1D—N1D	98.18 (9)	C6D—C5D—C4D	117.6 (3)
O6D—Fe1D—O2D	105.97 (9)	C6D—C5D—H5D	121.2
O5D—Fe1D—O2D	89.72 (9)	C4D—C5D—H5D	121.2
O3D—Fe1D—O2D	150.74 (9)	O4B—C7B—O3B	125.8 (3)
O1C—Fe1D—O2D	86.39 (9)	O4B—C7B—C6B	120.7 (3)
N1D—Fe1D—O2D	74.78 (9)	O3B—C7B—C6B	113.5 (3)
C1B—O1B—Fe1C	126.7 (2)	O5A—C9A—C10A	123.7 (4)
O6A—Fe1A—O3A	99.41 (10)	O5A—C9A—C8A	114.5 (4)
O6A—Fe1A—O5A	87.56 (10)	C10A—C9A—C8A	121.7 (4)
O3A—Fe1A—O5A	94.48 (10)	O4D—C7D—O3D	126.4 (3)
O6A—Fe1A—O1D	84.48 (9)	O4D—C7D—C6D	120.0 (3)
O3A—Fe1A—O1D	95.62 (9)	O3D—C7D—C6D	113.5 (3)
O5A—Fe1A—O1D	168.03 (9)	C2C—C3C—C4C	118.8 (3)
O6A—Fe1A—N1A	175.62 (10)	C2C—C3C—H3C	120.6
O3A—Fe1A—N1A	76.29 (10)	C4C—C3C—H3C	120.6
O5A—Fe1A—N1A	91.92 (10)	C11D—C10D—C9D	124.4 (3)
O1D—Fe1A—N1A	96.69 (9)	C11D—C10D—H10D	117.8
O6A—Fe1A—O2A	110.58 (9)	C9D—C10D—H10D	117.8
O3A—Fe1A—O2A	150.01 (9)	C4A—C5A—C6A	118.3 (3)
O5A—Fe1A—O2A	86.60 (10)	C4A—C5A—H5A	120.8
O1D—Fe1A—O2A	87.84 (9)	C6A—C5A—H5A	120.8
N1A—Fe1A—O2A	73.72 (9)	C3D—C4D—C5D	121.7 (3)
C1A—O1A—Fe1B	127.6 (2)	C3D—C4D—H4D	119.1
O6C—Fe1C—O3C	104.19 (11)	C5D—C4D—H4D	119.1
O6C—Fe1C—O5C	87.49 (11)	C3C—C4C—C5C	119.9 (4)
O3C—Fe1C—O5C	94.51 (11)	C3C—C4C—H4C	120.0
O6C—Fe1C—O1B	82.11 (10)	C5C—C4C—H4C	120.0
O3C—Fe1C—O1B	92.76 (10)	O4C—C7C—O3C	125.3 (4)
O5C—Fe1C—O1B	168.52 (11)	O4C—C7C—C6C	120.5 (4)
O6C—Fe1C—O2C	105.90 (10)	O3C—C7C—C6C	114.2 (3)
O3C—Fe1C—O2C	149.85 (11)	O5D—C9D—C10D	123.1 (4)
O5C—Fe1C—O2C	88.68 (10)	O5D—C9D—C8D	115.5 (3)
O1B—Fe1C—O2C	89.49 (9)	C10D—C9D—C8D	121.3 (3)
O6C—Fe1C—N1C	177.05 (10)	C3B—C4B—C5B	120.3 (3)
O3C—Fe1C—N1C	76.34 (11)	C3B—C4B—H4B	119.8
O5C—Fe1C—N1C	89.58 (11)	C5B—C4B—H4B	119.8
O1B—Fe1C—N1C	100.78 (10)	C11C—C10C—C9C	124.8 (4)
O2C—Fe1C—N1C	73.71 (10)	C11C—C10C—H10C	117.6
C1D—O1D—Fe1A	131.4 (2)	C9C—C10C—H10C	117.6
C9B—O5B—Fe1B	127.6 (2)	O6D—C11D—C10D	123.8 (3)
C6D—N1D—C2D	122.6 (3)	O6D—C11D—C12D	115.4 (3)
C6D—N1D—Fe1D	117.8 (2)	C10D—C11D—C12D	120.8 (3)
C2D—N1D—Fe1D	119.5 (2)	C11B—C12B—H12D	109.5
C1B—O2B—Fe1B	118.8 (2)	C11B—C12B—H12E	109.5
C1A—O2A—Fe1A	120.39 (19)	H12D—C12B—H12E	109.5
C1C—O1C—Fe1D	127.5 (2)	C11B—C12B—H12F	109.5
C6B—N1B—C2B	122.3 (3)	H12D—C12B—H12F	109.5
C6B—N1B—Fe1B	117.9 (2)	H12E—C12B—H12F	109.5
C2B—N1B—Fe1B	119.5 (2)	O5C—C9C—C10C	124.1 (4)
C7A—O3A—Fe1A	121.3 (2)	O5C—C9C—C8C	116.7 (4)
C11D—O6D—Fe1D	128.3 (2)	C10C—C9C—C8C	119.3 (4)
C11B—O6B—Fe1B	130.4 (2)	O6C—C11C—C10C	123.4 (4)
C7B—O3B—Fe1B	120.3 (2)	O6C—C11C—C12C	115.8 (4)
C6A—N1A—C2A	121.7 (3)	C10C—C11C—C12C	120.7 (4)
C6A—N1A—Fe1A	117.2 (2)	C11D—C12D—H12J	109.5
C2A—N1A—Fe1A	120.6 (2)	C11D—C12D—H12K	109.5
C9D—O5D—Fe1D	127.2 (2)	H12J—C12D—H12K	109.5
C1C—O2C—Fe1C	119.9 (2)	C11D—C12D—H12L	109.5
C11C—O6C—Fe1C	130.7 (3)	H12J—C12D—H12L	109.5
C11A—O6A—Fe1A	128.6 (3)	H12K—C12D—H12L	109.5
C6C—N1C—C2C	122.1 (3)	C6C—C5C—C4C	118.5 (3)
C6C—N1C—Fe1C	117.3 (2)	C6C—C5C—H5C	120.8
C2C—N1C—Fe1C	120.5 (2)	C4C—C5C—H5C	120.8
C7C—O3C—Fe1C	120.9 (2)	C11C—C12C—H12G	109.5
C7D—O3D—Fe1D	120.4 (2)	C11C—C12C—H12H	109.5
C9A—O5A—Fe1A	127.8 (3)	H12G—C12C—H12H	109.5
C9C—O5C—Fe1C	129.0 (3)	C11C—C12C—H12I	109.5
O1C—C1C—O2C	125.0 (3)	H12G—C12C—H12I	109.5
O1C—C1C—C2C	119.5 (3)	H12H—C12C—H12I	109.5
O2C—C1C—C2C	115.5 (3)	C11A—C10A—C9A	125.1 (4)
O1B—C1B—O2B	125.4 (3)	C11A—C10A—H10A	117.5
O1B—C1B—C2B	118.4 (3)	C9A—C10A—H10A	117.5
O2B—C1B—C2B	116.2 (3)	O6A—C11A—C10A	124.3 (4)
N1D—C2D—C3D	120.7 (3)	O6A—C11A—C12A	114.6 (4)
N1D—C2D—C1D	111.3 (3)	C10A—C11A—C12A	121.1 (4)
C3D—C2D—C1D	127.8 (3)	C9B—C8B—H8BA	109.5
N1A—C2A—C3A	122.1 (3)	C9B—C8B—H8BB	109.5
N1A—C2A—C1A	109.8 (3)	H8BA—C8B—H8BB	109.5
C3A—C2A—C1A	128.1 (3)	C9B—C8B—H8BC	109.5
N1C—C6C—C5C	120.4 (3)	H8BA—C8B—H8BC	109.5
N1C—C6C—C7C	111.2 (3)	H8BB—C8B—H8BC	109.5
C5C—C6C—C7C	128.4 (3)	C9D—C8D—H8DA	109.5
O1D—C1D—O2D	126.7 (3)	C9D—C8D—H8DB	109.5
O1D—C1D—C2D	118.0 (3)	H8DA—C8D—H8DB	109.5
O2D—C1D—C2D	115.3 (3)	C9D—C8D—H8DC	109.5
O6B—C11B—C10B	123.2 (3)	H8DA—C8D—H8DC	109.5
O6B—C11B—C12B	116.4 (3)	H8DB—C8D—H8DC	109.5
C10B—C11B—C12B	120.3 (3)	C9C—C8C—H8CA	109.5
N1A—C6A—C5A	120.3 (3)	C9C—C8C—H8CB	109.5
N1A—C6A—C7A	111.1 (3)	H8CA—C8C—H8CB	109.5
C5A—C6A—C7A	128.5 (3)	C9C—C8C—H8CC	109.5
N1B—C6B—C5B	120.4 (3)	H8CA—C8C—H8CC	109.5
N1B—C6B—C7B	111.7 (3)	H8CB—C8C—H8CC	109.5
C5B—C6B—C7B	127.8 (3)	C9A—C8A—H8AA	109.5
N1D—C6D—C5D	120.1 (3)	C9A—C8A—H8AB	109.5
N1D—C6D—C7D	111.8 (3)	H8AA—C8A—H8AB	109.5
C5D—C6D—C7D	128.0 (3)	C9A—C8A—H8AC	109.5
N1B—C2B—C3B	120.8 (3)	H8AA—C8A—H8AC	109.5
N1B—C2B—C1B	109.9 (3)	H8AB—C8A—H8AC	109.5
C3B—C2B—C1B	129.1 (3)	C11A—C12A—H12A	109.5
C4D—C3D—C2D	117.2 (3)	C11A—C12A—H12B	109.5
C4D—C3D—H3D	121.4	H12A—C12A—H12B	109.5
C2D—C3D—H3D	121.4	C11A—C12A—H12C	109.5
O5B—C9B—C10B	124.4 (3)	H12A—C12A—H12C	109.5
O5B—C9B—C8B	115.5 (3)	H12B—C12A—H12C	109.5
C10B—C9B—C8B	120.2 (4)	C1D—O2D—Fe1D	118.84 (19)
Fe1D—O1C—C1C—O2C	−13.1 (5)	C6C—N1C—C2C—C1C	−178.5 (3)
Fe1D—O1C—C1C—C2C	166.3 (2)	Fe1C—N1C—C2C—C1C	−1.6 (3)
Fe1C—O2C—C1C—O1C	172.6 (2)	O1C—C1C—C2C—N1C	−174.1 (3)
Fe1C—O2C—C1C—C2C	−6.8 (4)	O2C—C1C—C2C—N1C	5.3 (4)
Fe1C—O1B—C1B—O2B	−9.9 (5)	O1C—C1C—C2C—C3C	5.8 (5)
Fe1C—O1B—C1B—C2B	167.56 (18)	O2C—C1C—C2C—C3C	−174.8 (3)
Fe1B—O2B—C1B—O1B	167.9 (2)	N1B—C6B—C5B—C4B	−0.2 (5)
Fe1B—O2B—C1B—C2B	−9.6 (3)	C7B—C6B—C5B—C4B	176.2 (3)
C6D—N1D—C2D—C3D	−2.3 (5)	C2A—C3A—C4A—C5A	−0.2 (5)
Fe1D—N1D—C2D—C3D	−178.2 (2)	O6B—C11B—C10B—C9B	6.4 (6)
C6D—N1D—C2D—C1D	173.9 (3)	C12B—C11B—C10B—C9B	−172.2 (3)
Fe1D—N1D—C2D—C1D	−2.0 (3)	O5B—C9B—C10B—C11B	−1.7 (6)
C6A—N1A—C2A—C3A	1.2 (5)	C8B—C9B—C10B—C11B	177.4 (4)
Fe1A—N1A—C2A—C3A	172.6 (2)	N1D—C6D—C5D—C4D	−0.8 (5)
C6A—N1A—C2A—C1A	−178.6 (3)	C7D—C6D—C5D—C4D	175.0 (3)
Fe1A—N1A—C2A—C1A	−7.2 (3)	Fe1B—O3B—C7B—O4B	174.8 (3)
C2C—N1C—C6C—C5C	−1.7 (5)	Fe1B—O3B—C7B—C6B	−5.7 (4)
Fe1C—N1C—C6C—C5C	−178.7 (2)	N1B—C6B—C7B—O4B	−176.2 (3)
C2C—N1C—C6C—C7C	176.4 (3)	C5B—C6B—C7B—O4B	7.2 (5)
Fe1C—N1C—C6C—C7C	−0.6 (3)	N1B—C6B—C7B—O3B	4.2 (4)
Fe1A—O1D—C1D—O2D	−13.9 (5)	C5B—C6B—C7B—O3B	−172.4 (3)
Fe1A—O1D—C1D—C2D	164.8 (2)	Fe1A—O5A—C9A—C10A	10.7 (5)
N1D—C2D—C1D—O1D	−173.8 (3)	Fe1A—O5A—C9A—C8A	−171.8 (2)
C3D—C2D—C1D—O1D	2.0 (5)	Fe1D—O3D—C7D—O4D	−179.2 (3)
N1D—C2D—C1D—O2D	5.0 (4)	Fe1D—O3D—C7D—C6D	−1.5 (4)
C3D—C2D—C1D—O2D	−179.1 (3)	N1D—C6D—C7D—O4D	177.4 (3)
Fe1B—O6B—C11B—C10B	2.9 (5)	C5D—C6D—C7D—O4D	1.3 (6)
Fe1B—O6B—C11B—C12B	−178.5 (2)	N1D—C6D—C7D—O3D	−0.4 (4)
C2A—N1A—C6A—C5A	−1.7 (5)	C5D—C6D—C7D—O3D	−176.5 (3)
Fe1A—N1A—C6A—C5A	−173.4 (2)	N1C—C2C—C3C—C4C	−0.1 (5)
C2A—N1A—C6A—C7A	175.4 (3)	C1C—C2C—C3C—C4C	−180.0 (3)
Fe1A—N1A—C6A—C7A	3.8 (3)	C3A—C4A—C5A—C6A	−0.3 (5)
C2B—N1B—C6B—C5B	2.6 (4)	N1A—C6A—C5A—C4A	1.2 (5)
Fe1B—N1B—C6B—C5B	175.8 (2)	C7A—C6A—C5A—C4A	−175.3 (3)
C2B—N1B—C6B—C7B	−174.3 (3)	C2D—C3D—C4D—C5D	1.4 (5)
Fe1B—N1B—C6B—C7B	−1.2 (3)	C6D—C5D—C4D—C3D	−1.1 (5)
C2D—N1D—C6D—C5D	2.6 (5)	C2C—C3C—C4C—C5C	−1.2 (5)
Fe1D—N1D—C6D—C5D	178.5 (2)	Fe1C—O3C—C7C—O4C	174.9 (3)
C2D—N1D—C6D—C7D	−173.9 (3)	Fe1C—O3C—C7C—C6C	−3.0 (4)
Fe1D—N1D—C6D—C7D	2.1 (4)	N1C—C6C—C7C—O4C	−175.8 (3)
C6B—N1B—C2B—C3B	−3.1 (4)	C5C—C6C—C7C—O4C	2.1 (6)
Fe1B—N1B—C2B—C3B	−176.1 (2)	N1C—C6C—C7C—O3C	2.2 (4)
C6B—N1B—C2B—C1B	172.4 (2)	C5C—C6C—C7C—O3C	−179.9 (3)
Fe1B—N1B—C2B—C1B	−0.7 (3)	Fe1D—O5D—C9D—C10D	−16.9 (5)
O1B—C1B—C2B—N1B	−171.1 (3)	Fe1D—O5D—C9D—C8D	167.4 (3)
O2B—C1B—C2B—N1B	6.6 (4)	C11D—C10D—C9D—O5D	−5.9 (6)
O1B—C1B—C2B—C3B	3.8 (5)	C11D—C10D—C9D—C8D	169.6 (4)
O2B—C1B—C2B—C3B	−178.5 (3)	C2B—C3B—C4B—C5B	1.3 (5)
N1D—C2D—C3D—C4D	0.3 (5)	C6B—C5B—C4B—C3B	−1.7 (5)
C1D—C2D—C3D—C4D	−175.2 (3)	Fe1D—O6D—C11D—C10D	9.2 (5)
Fe1B—O5B—C9B—C10B	−11.4 (5)	Fe1D—O6D—C11D—C12D	−173.3 (2)
Fe1B—O5B—C9B—C8B	169.4 (3)	C9D—C10D—C11D—O6D	10.2 (6)
N1B—C2B—C3B—C4B	1.0 (5)	C9D—C10D—C11D—C12D	−167.1 (4)
C1B—C2B—C3B—C4B	−173.4 (3)	Fe1C—O5C—C9C—C10C	2.8 (6)
Fe1B—O1A—C1A—O2A	−14.5 (5)	Fe1C—O5C—C9C—C8C	−177.8 (3)
Fe1B—O1A—C1A—C2A	163.6 (2)	C11C—C10C—C9C—O5C	3.7 (6)
Fe1A—O2A—C1A—O1A	171.6 (3)	C11C—C10C—C9C—C8C	−175.6 (4)
Fe1A—O2A—C1A—C2A	−6.6 (4)	Fe1C—O6C—C11C—C10C	−3.1 (5)
N1A—C2A—C1A—O1A	−169.7 (3)	Fe1C—O6C—C11C—C12C	178.9 (2)
C3A—C2A—C1A—O1A	10.6 (5)	C9C—C10C—C11C—O6C	−3.7 (6)
N1A—C2A—C1A—O2A	8.7 (4)	C9C—C10C—C11C—C12C	174.2 (4)
C3A—C2A—C1A—O2A	−171.1 (3)	N1C—C6C—C5C—C4C	0.4 (5)
N1A—C2A—C3A—C4A	−0.2 (5)	C7C—C6C—C5C—C4C	−177.3 (3)
C1A—C2A—C3A—C4A	179.5 (3)	C3C—C4C—C5C—C6C	1.0 (5)
Fe1A—O3A—C7A—O4A	173.9 (3)	O5A—C9A—C10A—C11A	1.8 (7)
Fe1A—O3A—C7A—C6A	−4.9 (4)	C8A—C9A—C10A—C11A	−175.6 (4)
N1A—C6A—C7A—O4A	−178.4 (3)	Fe1A—O6A—C11A—C10A	−12.9 (6)
C5A—C6A—C7A—O4A	−1.6 (5)	Fe1A—O6A—C11A—C12A	168.8 (3)
N1A—C6A—C7A—O3A	0.4 (4)	C9A—C10A—C11A—O6A	−0.9 (7)
C5A—C6A—C7A—O3A	177.3 (3)	C9A—C10A—C11A—C12A	177.3 (4)
C6C—N1C—C2C—C3C	1.5 (5)	O1D—C1D—O2D—Fe1D	172.9 (2)
Fe1C—N1C—C2C—C3C	178.5 (2)	C2D—C1D—O2D—Fe1D	−5.8 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C8B—H8BA···O4A^i	0.98	2.54	3.2779 (2)	132
C3D—H3D···O5D^ii	0.95	2.46	3.2591 (2)	142
C4B—H4B···O3C^iii	0.95	2.46	3.1603 (2)	131
C8D—H8DB···O4C^iv	0.98	2.37	3.3124 (2)	162
C5A—H5A···O3B^v	0.95	2.51	3.2647 (2)	137
C5C—H5C···O3D^vi	0.95	2.60	3.3000 (2)	131
C8C—H8CB···O3A^vii	0.98	2.56	3.2807 (2)	130
C12B—H12D···O4D^vi	0.98	2.58	3.2315 (2)	124
C12B—H12F···O4A^v	0.98	2.42	3.3276 (2)	153
C12C—H12I···O4A^ii	0.98	2.59	3.5526 (2)	168
C12D—H12J···O4B^v	0.98	2.57	3.4551 (2)	150
C12D—H12L···O4C^vi	0.98	2.22	3.1513 (2)	159

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