Formation of two crystal modifications of Fe₇C_3−x at 5.5 GPa

The Fe–C system, which is widely used to grow commercial high-pressure–high-temperature diamond monocrystals, is rather complicated due to the formation of carbides. The carbide Fe₃C is a normal run product, but the pressure at which Fe₇C₃ carbide becomes stable is a subject of discussion. This paper demonstrates the synthesis of Fe₇C₃ carbide and its detailed study using single-crystal and powder X-ray diffraction, as well as electron probe micro-analysis and scanning electron microscopy. The experiments were performed using a multiple-anvil high-pressure apparatus of `split-sphere' (BARS) type at a pressure of 5.5 GPa and a temperature of 1623 K. Our results show that in the Fe–C system, in addition to diamond, a phase that corresponds to the Fe₇C₃ carbide was synthesized. This means that both carbides (Fe₇C₃ and Fe₃C) are stable at 5.5 GPa. Two crystal phases are described, Fe₁₄C₆ and Fe₂₈C_12−x. Fe₁₄C₆ is based on the well known rhombic structure of Fe₇C₃, while Fe₂₈C_12−x has a different packing order of Fe₆C polyhedrons. The results obtained in this study should be taken into account when synthesizing and growing diamond at high pressures and temperatures in metal–carbon systems with a high iron content, as well as when conducting experimental studies on the synthesis of diamond directly from carbide.

Computing details

For both structures, data collection: Bruker APEX2 V2013.6-2; cell refinement: Bruker SAINT V8.32B; data reduction: Bruker SAINT V8.32B; program(s) used to solve structure: SHELXT 2014/5. Program(s) used to refine structure: SHELXL 2018/3 for (I); olex2.refine (Bourhis et al., 2015) for (II). For both structures, molecular graphics: Olex2 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 (Dolomanov et al., 2009).

iron carbide (I)

Crystal data

C6Fe14	Dx = 7.609 Mg m^−3
Mr = 853.96	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbca	Cell parameters from 4135 reflections
a = 11.9698 (6) Å	θ = 3.4–33.2°
b = 4.5240 (2) Å	µ = 26.26 mm^−1
c = 13.7658 (6) Å	T = 298 K
V = 745.44 (6) Å^3	Block, metallic light gray
Z = 4	0.12 × 0.08 × 0.04 mm
F(000) = 1600

Data collection

Bruker APEX-II CCD diffractometer	1268 reflections with I > 2σ(I)
Detector resolution: 25 pixels mm^-1	Rint = 0.029
φ and ω scans	θmax = 33.2°, θmin = 3.0°
Absorption correction: multi-scan SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.1120 before and 0.0329 after correction. The Ratio of minimum to maximum transmission is 0.5837. The λ/2 correction factor is 0.0015.	h = −16→18
Tmin = 0.436, Tmax = 0.747	k = −6→6
6522 measured reflections	l = −21→10
1428 independent reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.036P)^2 + 1.365P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.025	(Δ/σ)max = 0.001
wR(F^2) = 0.066	Δρmax = 1.83 e Å^−3
S = 1.09	Δρmin = −0.84 e Å^−3
1428 reflections	Extinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
92 parameters	Extinction coefficient: 0.0031 (2)
0 restraints

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.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
Fe1	0.58215 (3)	0.24110 (7)	0.37329 (2)	0.00332 (10)
Fe2	0.31084 (3)	0.57276 (7)	0.46759 (2)	0.00412 (10)
Fe3	0.31312 (3)	0.56322 (7)	0.28399 (2)	0.00430 (9)
Fe4	0.12724 (3)	0.56340 (8)	0.37470 (2)	0.00425 (10)
Fe5	0.47545 (3)	0.25065 (7)	0.53109 (2)	0.00425 (10)
Fe6	0.29253 (3)	0.25177 (7)	0.62536 (2)	0.00410 (10)
Fe7	0.47666 (3)	0.22765 (7)	0.21469 (2)	0.00433 (10)
C3	0.3411 (2)	0.9648 (5)	0.23224 (17)	0.0093 (4)
C1	0.4392 (2)	0.4646 (6)	0.38006 (16)	0.0084 (4)
C2	0.3435 (2)	0.9697 (5)	0.51866 (17)	0.0083 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.00189 (17)	0.00476 (18)	0.00332 (17)	0.00025 (9)	0.00002 (9)	0.00030 (9)
Fe2	0.00240 (16)	0.00623 (16)	0.00373 (15)	0.00019 (10)	0.00014 (10)	−0.00011 (10)
Fe3	0.00255 (15)	0.00655 (16)	0.00381 (15)	0.00010 (10)	−0.00005 (10)	0.00006 (10)
Fe4	0.00259 (16)	0.00629 (17)	0.00389 (16)	0.00011 (11)	0.00026 (9)	0.00001 (9)
Fe5	0.00433 (17)	0.00416 (16)	0.00428 (16)	−0.00033 (10)	0.00074 (11)	−0.00050 (9)
Fe6	0.00269 (17)	0.00385 (17)	0.00577 (18)	−0.00001 (9)	0.00005 (9)	−0.00047 (9)
Fe7	0.00374 (16)	0.00477 (16)	0.00448 (16)	0.00040 (10)	−0.00079 (11)	0.00063 (9)
C3	0.0096 (10)	0.0095 (9)	0.0089 (10)	0.0013 (8)	0.0022 (8)	0.0003 (7)
C1	0.0040 (10)	0.0095 (10)	0.0118 (10)	−0.0005 (8)	0.0009 (7)	−0.0003 (7)
C2	0.0089 (10)	0.0089 (9)	0.0071 (9)	0.0001 (8)	−0.0037 (8)	−0.0009 (7)

Geometric parameters (Å, º)

Fe1—Fe2^i	2.6735 (4)	Fe3—C3	1.980 (2)
Fe1—Fe3^ii	2.6281 (4)	Fe3—C3^iii	2.029 (3)
Fe1—Fe4^iii	2.6323 (5)	Fe3—C1	2.056 (2)
Fe1—Fe5	2.5203 (5)	Fe4—Fe5^x	2.6461 (5)
Fe1—Fe5^iv	2.6753 (4)	Fe4—Fe5^vii	2.6198 (4)
Fe1—Fe6^iv	2.6874 (5)	Fe4—Fe7^vii	2.6363 (5)
Fe1—Fe6^v	2.5184 (6)	Fe4—Fe7^xi	2.6590 (5)
Fe1—Fe7	2.5229 (5)	Fe4—C3^iii	2.047 (2)
Fe1—Fe7^vi	2.6091 (4)	Fe4—C1^vii	1.983 (3)
Fe1—C3^ii	1.994 (2)	Fe4—C2^iii	2.057 (2)
Fe1—C1	1.990 (3)	Fe5—Fe5^iv	2.4943 (6)
Fe1—C2^i	1.978 (2)	Fe5—Fe5^i	2.4836 (6)
Fe2—Fe2^iii	2.6903 (4)	Fe5—Fe6	2.5451 (5)
Fe2—Fe3	2.5279 (5)	Fe5—Fe7^xii	2.5294 (6)
Fe2—Fe4^vii	2.6667 (5)	Fe5—C1	2.334 (2)
Fe2—Fe4	2.5429 (5)	Fe5—C1^i	2.049 (2)
Fe2—Fe5^i	2.6801 (5)	Fe5—C2^xiii	2.035 (2)
Fe2—Fe5	2.6019 (5)	Fe5—C2^i	2.482 (3)
Fe2—Fe6	2.6218 (4)	Fe6—Fe6^vii	2.4806 (3)
Fe2—Fe6^vii	2.6275 (4)	Fe6—Fe6^iii	2.4806 (3)
Fe2—C1	2.013 (2)	Fe6—Fe7^xii	2.5255 (5)
Fe2—C2	1.968 (2)	Fe6—C3^xiv	2.037 (2)
Fe2—C2^iii	2.031 (2)	Fe6—C3^xv	2.384 (3)
Fe3—Fe4	2.5513 (5)	Fe6—C2^xiii	2.039 (2)
Fe3—Fe4^vii	2.6813 (4)	Fe6—C2^iii	2.404 (3)
Fe3—Fe4^iii	2.6799 (4)	Fe7—Fe7^vi	2.5246 (3)
Fe3—Fe6^viii	2.6585 (4)	Fe7—Fe7^ii	2.5246 (3)
Fe3—Fe6^ix	2.6191 (4)	Fe7—C3^xiii	2.026 (3)
Fe3—Fe7^vi	2.6241 (5)	Fe7—C1^ii	2.033 (2)
Fe3—Fe7	2.6546 (5)
Fe2^i—Fe1—Fe5^iv	88.986 (13)	Fe1—Fe5—Fe4^iii	61.573 (14)
Fe2^i—Fe1—Fe6^iv	89.327 (14)	Fe1—Fe5—Fe6	151.100 (19)
Fe3^ii—Fe1—Fe2^i	122.879 (17)	Fe1—Fe5—Fe7^xii	149.203 (18)
Fe3^ii—Fe1—Fe4^iii	111.515 (15)	Fe2—Fe5—Fe4^v	170.185 (18)
Fe3^ii—Fe1—Fe5^iv	105.880 (15)	Fe2—Fe5—Fe4^iii	63.237 (13)
Fe3^ii—Fe1—Fe6^iv	59.027 (12)	Fe4^iii—Fe5—Fe4^v	123.457 (14)
Fe4^iii—Fe1—Fe2^i	123.118 (15)	Fe5^iv—Fe5—Fe1	64.481 (16)
Fe4^iii—Fe1—Fe5^iv	59.802 (13)	Fe5^i—Fe5—Fe1	66.332 (16)
Fe4^iii—Fe1—Fe6^iv	106.142 (16)	Fe5^i—Fe5—Fe2	63.555 (16)
Fe5—Fe1—Fe2^i	62.048 (13)	Fe5^iv—Fe5—Fe2	124.92 (2)
Fe5—Fe1—Fe3^ii	163.147 (17)	Fe5^i—Fe5—Fe4^iii	96.98 (2)
Fe5—Fe1—Fe4^iii	61.074 (13)	Fe5^iv—Fe5—Fe4^v	61.196 (15)
Fe5—Fe1—Fe5^iv	57.288 (14)	Fe5^i—Fe5—Fe4^v	119.61 (2)
Fe5—Fe1—Fe6^iv	106.927 (14)	Fe5^iv—Fe5—Fe4^iii	62.260 (16)
Fe5^iv—Fe1—Fe6^iv	56.667 (12)	Fe5^i—Fe5—Fe5^iv	130.68 (3)
Fe5—Fe1—Fe7	119.51 (2)	Fe5^iv—Fe5—Fe6	112.30 (2)
Fe5—Fe1—Fe7^vi	104.413 (15)	Fe5^i—Fe5—Fe6	112.18 (2)
Fe6^v—Fe1—Fe2^i	60.717 (12)	Fe5^i—Fe5—Fe7^xii	107.93 (2)
Fe6^v—Fe1—Fe3^ii	62.162 (12)	Fe5^iv—Fe5—Fe7^xii	112.14 (2)
Fe6^v—Fe1—Fe4^iii	162.929 (17)	Fe6—Fe5—Fe2	61.233 (13)
Fe6^v—Fe1—Fe5	120.011 (16)	Fe6—Fe5—Fe4^iii	90.918 (15)
Fe6^v—Fe1—Fe5^iv	105.350 (15)	Fe6—Fe5—Fe4^v	109.992 (16)
Fe6^v—Fe1—Fe6^iv	56.802 (11)	Fe7^xii—Fe5—Fe2	108.561 (16)
Fe6^v—Fe1—Fe7^vi	105.213 (15)	Fe7^xii—Fe5—Fe4^v	61.782 (13)
Fe6^v—Fe1—Fe7	120.475 (16)	Fe7^xii—Fe5—Fe4^iii	146.759 (17)
Fe7—Fe1—Fe2^i	163.021 (16)	Fe7^xii—Fe5—Fe6	59.694 (13)
Fe7^vi—Fe1—Fe2^i	104.116 (14)	C1—Fe5—Fe1	48.21 (6)
Fe7—Fe1—Fe3^ii	61.213 (13)	C1^i—Fe5—Fe1	105.82 (7)
Fe7^vi—Fe1—Fe3^ii	90.264 (13)	C1—Fe5—Fe2	47.76 (6)
Fe7—Fe1—Fe4^iii	61.471 (13)	C1^i—Fe5—Fe2	103.06 (7)
Fe7^vi—Fe1—Fe4^iii	90.238 (15)	C1^i—Fe5—Fe4^v	72.70 (7)
Fe7^vi—Fe1—Fe5^iv	149.361 (19)	C1—Fe5—Fe4^iii	46.76 (6)
Fe7—Fe1—Fe5^iv	106.064 (15)	C1^i—Fe5—Fe4^iii	158.08 (7)
Fe7—Fe1—Fe6^iv	105.386 (14)	C1—Fe5—Fe4^v	141.89 (6)
Fe7^vi—Fe1—Fe6^iv	148.624 (16)	C1^i—Fe5—Fe5^iv	131.22 (7)
Fe7—Fe1—Fe7^vi	58.908 (9)	C1^i—Fe5—Fe5^i	61.10 (7)
C3^ii—Fe1—Fe2^i	102.50 (7)	C1—Fe5—Fe5^i	50.22 (6)
C3^ii—Fe1—Fe3^ii	48.37 (7)	C1—Fe5—Fe5^iv	96.62 (6)
C3^ii—Fe1—Fe4^iii	126.78 (7)	C1—Fe5—Fe6	107.07 (6)
C3^ii—Fe1—Fe5^iv	154.02 (7)	C1^i—Fe5—Fe6	97.08 (7)
C3^ii—Fe1—Fe5	148.48 (7)	C1^i—Fe5—Fe7^xii	51.41 (7)
C3^ii—Fe1—Fe6^v	62.52 (7)	C1—Fe5—Fe7^xii	151.05 (6)
C3^ii—Fe1—Fe6^iv	99.73 (7)	C1^i—Fe5—C1	111.32 (7)
C3^ii—Fe1—Fe7	67.19 (7)	C1^i—Fe5—C2^i	88.96 (9)
C3^ii—Fe1—Fe7^vi	50.06 (7)	C1—Fe5—C2^i	94.76 (8)
C1—Fe1—Fe2^i	102.33 (7)	C2^i—Fe5—Fe1	46.58 (5)
C1—Fe1—Fe3^ii	127.19 (6)	C2^xiii—Fe5—Fe1	108.07 (7)
C1—Fe1—Fe4^iii	48.40 (7)	C2^i—Fe5—Fe2	142.51 (6)
C1—Fe1—Fe5	61.00 (7)	C2^xiii—Fe5—Fe2	74.57 (7)
C1—Fe1—Fe5^iv	100.25 (7)	C2^i—Fe5—Fe4^v	47.16 (5)
C1—Fe1—Fe6^v	148.54 (8)	C2^i—Fe5—Fe4^iii	93.04 (5)
C1—Fe1—Fe6^iv	154.34 (8)	C2^xiii—Fe5—Fe4^iii	50.55 (7)
C1—Fe1—Fe7	67.81 (7)	C2^xiii—Fe5—Fe4^v	103.81 (7)
C1—Fe1—Fe7^vi	50.28 (7)	C2^xiii—Fe5—Fe5^iv	65.54 (7)
C1—Fe1—C3^ii	99.91 (10)	C2^xiii—Fe5—Fe5^i	136.25 (7)
C2^i—Fe1—Fe2^i	47.18 (7)	C2^i—Fe5—Fe5^i	93.61 (6)
C2^i—Fe1—Fe3^ii	104.91 (7)	C2^i—Fe5—Fe5^iv	48.27 (6)
C2^i—Fe1—Fe4^iii	106.00 (7)	C2^xiii—Fe5—Fe6	51.42 (7)
C2^i—Fe1—Fe5	65.68 (7)	C2^i—Fe5—Fe6	153.22 (6)
C2^i—Fe1—Fe5^iv	49.09 (7)	C2^i—Fe5—Fe7^xii	106.64 (5)
C2^i—Fe1—Fe6^iv	48.99 (7)	C2^xiii—Fe5—Fe7^xii	96.47 (7)
C2^i—Fe1—Fe6^v	63.31 (7)	C2^xiii—Fe5—C1^i	146.09 (10)
C2^i—Fe1—Fe7	149.79 (7)	C2^xiii—Fe5—C1	92.29 (9)
C2^i—Fe1—Fe7^vi	151.29 (7)	C2^xiii—Fe5—C2^i	113.81 (7)
C2^i—Fe1—C3^ii	125.81 (11)	Fe1^x—Fe6—Fe2^iii	62.560 (13)
C2^i—Fe1—C1	126.63 (10)	Fe1^x—Fe6—Fe2	94.736 (15)
Fe1^i—Fe2—Fe2^iii	121.614 (9)	Fe1^x—Fe6—Fe3^xii	95.445 (15)
Fe1^i—Fe2—Fe5^i	56.169 (12)	Fe1^x—Fe6—Fe5	149.760 (16)
Fe3—Fe2—Fe1^i	145.019 (16)	Fe1^x—Fe6—Fe7^xii	150.288 (16)
Fe3—Fe2—Fe2^iii	89.512 (9)	Fe2—Fe6—Fe2^iii	61.662 (12)
Fe3—Fe2—Fe4	60.415 (12)	Fe3^xii—Fe6—Fe2^iii	124.454 (16)
Fe3—Fe2—Fe4^vii	62.083 (12)	Fe3^xii—Fe6—Fe2	169.79 (2)
Fe3—Fe2—Fe5^i	90.090 (13)	Fe5—Fe6—Fe2	60.451 (13)
Fe3—Fe2—Fe5	108.552 (15)	Fe5—Fe6—Fe2^iii	89.027 (14)
Fe3—Fe2—Fe6^vii	146.800 (16)	Fe5—Fe6—Fe3^xii	110.065 (18)
Fe3—Fe2—Fe6	145.052 (16)	Fe6^iii—Fe6—Fe1^x	66.50 (2)
Fe4^vii—Fe2—Fe1^i	89.858 (13)	Fe6^vii—Fe6—Fe1^x	65.03 (2)
Fe4—Fe2—Fe1^i	146.230 (17)	Fe6^iii—Fe6—Fe2^iii	61.683 (12)
Fe4^vii—Fe2—Fe2^iii	148.245 (12)	Fe6^vii—Fe6—Fe2	61.915 (9)
Fe4—Fe2—Fe2^iii	61.194 (15)	Fe6^vii—Fe6—Fe2^iii	95.036 (16)
Fe4—Fe2—Fe4^vii	90.741 (16)	Fe6^iii—Fe6—Fe2	122.640 (12)
Fe4^vii—Fe2—Fe5^i	59.325 (12)	Fe6^vii—Fe6—Fe3^xii	122.328 (11)
Fe4—Fe2—Fe5	144.494 (17)	Fe6^iii—Fe6—Fe3^xii	62.772 (9)
Fe4—Fe2—Fe5^i	146.437 (16)	Fe6^iii—Fe6—Fe5	110.565 (16)
Fe4—Fe2—Fe6	109.579 (17)	Fe6^vii—Fe6—Fe5	110.788 (16)
Fe4—Fe2—Fe6^vii	90.793 (14)	Fe6^iii—Fe6—Fe6^vii	131.53 (3)
Fe5—Fe2—Fe1^i	62.506 (13)	Fe6^vii—Fe6—Fe7^xii	108.940 (17)
Fe5^i—Fe2—Fe2^iii	140.117 (16)	Fe6^iii—Fe6—Fe7^xii	113.067 (17)
Fe5—Fe2—Fe2^iii	86.505 (12)	Fe7^xii—Fe6—Fe2^iii	145.566 (18)
Fe5—Fe2—Fe4^vii	114.633 (16)	Fe7^xii—Fe6—Fe2	108.060 (18)
Fe5—Fe2—Fe5^i	56.072 (14)	Fe7^xii—Fe6—Fe3^xii	62.096 (13)
Fe5—Fe2—Fe6	58.316 (14)	Fe7^xii—Fe6—Fe5	59.843 (16)
Fe5—Fe2—Fe6^vii	104.567 (16)	C3^xv—Fe6—Fe1^x	47.91 (6)
Fe6—Fe2—Fe1^i	62.341 (12)	C3^xiv—Fe6—Fe1^x	105.80 (7)
Fe6^vii—Fe2—Fe1^i	56.721 (14)	C3^xiv—Fe6—Fe2^iii	157.78 (7)
Fe6^vii—Fe2—Fe2^iii	90.243 (14)	C3^xiv—Fe6—Fe2	103.05 (7)
Fe6—Fe2—Fe2^iii	59.273 (9)	C3^xv—Fe6—Fe2^iii	93.87 (6)
Fe6^vii—Fe2—Fe4^vii	105.705 (14)	C3^xv—Fe6—Fe2	142.64 (6)
Fe6—Fe2—Fe4^vii	151.821 (16)	C3^xiv—Fe6—Fe3^xii	73.35 (7)
Fe6—Fe2—Fe5^i	103.843 (16)	C3^xv—Fe6—Fe3^xii	47.55 (6)
Fe6^vii—Fe2—Fe5^i	110.609 (15)	C3^xiv—Fe6—Fe5	97.11 (7)
Fe6—Fe2—Fe6^vii	56.401 (11)	C3^xv—Fe6—Fe5	153.02 (6)
C1—Fe2—Fe1^i	101.61 (7)	C3^xiv—Fe6—Fe6^vii	62.81 (7)
C1—Fe2—Fe2^iii	102.06 (7)	C3^xv—Fe6—Fe6^vii	95.69 (6)
C1—Fe2—Fe3	52.35 (7)	C3^xv—Fe6—Fe6^iii	49.45 (6)
C1—Fe2—Fe4^vii	72.73 (7)	C3^xiv—Fe6—Fe6^iii	133.75 (7)
C1—Fe2—Fe4	110.77 (7)	C3^xv—Fe6—Fe7^xii	107.48 (6)
C1—Fe2—Fe5^i	49.30 (7)	C3^xiv—Fe6—Fe7^xii	51.37 (7)
C1—Fe2—Fe5	59.13 (7)	C3^xiv—Fe6—C3^xv	90.27 (11)
C1—Fe2—Fe6	115.15 (7)	C3^xv—Fe6—C2^iii	95.21 (9)
C1—Fe2—Fe6^vii	158.29 (7)	C3^xiv—Fe6—C2^iii	112.13 (9)
C1—Fe2—C2^iii	147.75 (10)	C3^xiv—Fe6—C2^xiii	145.99 (11)
C2^iii—Fe2—Fe1^i	102.97 (7)	C2^iii—Fe6—Fe1^x	47.31 (6)
C2—Fe2—Fe1^i	47.51 (7)	C2^xiii—Fe6—Fe1^x	108.21 (7)
C2—Fe2—Fe2^iii	151.03 (7)	C2^xiii—Fe6—Fe2^iii	49.66 (7)
C2^iii—Fe2—Fe2^iii	46.72 (7)	C2^xiii—Fe6—Fe2	74.04 (7)
C2—Fe2—Fe3	111.76 (7)	C2^iii—Fe6—Fe2^iii	45.77 (6)
C2^iii—Fe2—Fe3	110.61 (7)	C2^iii—Fe6—Fe2	47.43 (6)
C2—Fe2—Fe4	111.51 (7)	C2^iii—Fe6—Fe3^xii	142.76 (6)
C2—Fe2—Fe4^vii	49.95 (7)	C2^xiii—Fe6—Fe3^xii	103.40 (7)
C2^iii—Fe2—Fe4	51.99 (7)	C2^xiii—Fe6—Fe5	51.25 (7)
C2^iii—Fe2—Fe4^vii	127.59 (7)	C2^iii—Fe6—Fe5	105.78 (6)
C2^iii—Fe2—Fe5	116.35 (7)	C2^xiii—Fe6—Fe6^iii	63.39 (7)
C2^iii—Fe2—Fe5^i	159.13 (7)	C2^iii—Fe6—Fe6^iii	95.50 (6)
C2—Fe2—Fe5^i	62.34 (7)	C2^xiii—Fe6—Fe6^vii	133.91 (7)
C2—Fe2—Fe5	103.92 (7)	C2^iii—Fe6—Fe6^vii	49.32 (6)
C2^iii—Fe2—Fe6	60.66 (7)	C2^iii—Fe6—Fe7^xii	150.86 (6)
C2—Fe2—Fe6	103.06 (7)	C2^xiii—Fe6—Fe7^xii	96.47 (7)
C2^iii—Fe2—Fe6^vii	49.93 (7)	C2^xiii—Fe6—C3^xv	112.84 (9)
C2—Fe2—Fe6^vii	61.11 (7)	C2^xiii—Fe6—C2^iii	91.10 (10)
C2—Fe2—C1	106.49 (10)	Fe1—Fe7—Fe1^ii	123.858 (17)
C2—Fe2—C2^iii	105.47 (11)	Fe1—Fe7—Fe3^ii	61.371 (13)
Fe1^vi—Fe3—Fe4^iii	121.009 (15)	Fe1^ii—Fe7—Fe3	116.763 (17)
Fe1^vi—Fe3—Fe4^vii	89.901 (13)	Fe1^ii—Fe7—Fe3^ii	91.308 (15)
Fe1^vi—Fe3—Fe6^viii	56.894 (14)	Fe1—Fe7—Fe3	92.541 (15)
Fe1^vi—Fe3—Fe7	61.792 (12)	Fe1—Fe7—Fe4^iii	61.309 (13)
Fe2—Fe3—Fe1^vi	145.446 (16)	Fe1^ii—Fe7—Fe4^xvi	116.743 (16)
Fe2—Fe3—Fe4^vii	61.500 (12)	Fe1—Fe7—Fe4^xvi	92.718 (15)
Fe2—Fe3—Fe4	60.083 (12)	Fe1^ii—Fe7—Fe4^iii	91.305 (14)
Fe2—Fe3—Fe4^iii	63.347 (12)	Fe1—Fe7—Fe5^ix	150.072 (18)
Fe2—Fe3—Fe6^viii	144.164 (16)	Fe1—Fe7—Fe6^ix	149.012 (19)
Fe2—Fe3—Fe6^ix	147.334 (16)	Fe1—Fe7—Fe7^ii	65.016 (17)
Fe2—Fe3—Fe7^vi	89.919 (14)	Fe1—Fe7—Fe7^vi	62.251 (17)
Fe2—Fe3—Fe7	112.147 (15)	Fe3^ii—Fe7—Fe3	150.088 (16)
Fe4—Fe3—Fe1^vi	144.992 (16)	Fe3^ii—Fe7—Fe4^xvi	60.994 (13)
Fe4—Fe3—Fe4^vii	90.228 (16)	Fe3—Fe7—Fe4^xvi	109.846 (16)
Fe4—Fe3—Fe4^iii	90.258 (16)	Fe3^ii—Fe7—Fe4^iii	111.512 (15)
Fe4^iii—Fe3—Fe4^vii	115.096 (16)	Fe4^iii—Fe7—Fe3	60.862 (13)
Fe4—Fe3—Fe6^viii	89.261 (14)	Fe4^iii—Fe7—Fe4^xvi	150.162 (17)
Fe4—Fe3—Fe6^ix	109.037 (17)	Fe5^ix—Fe7—Fe1^ii	64.364 (12)
Fe4—Fe3—Fe7	144.997 (17)	Fe5^ix—Fe7—Fe3	109.428 (15)
Fe4—Fe3—Fe7^vi	146.385 (16)	Fe5^ix—Fe7—Fe3^ii	91.343 (14)
Fe6^ix—Fe3—Fe1^vi	61.616 (13)	Fe5^ix—Fe7—Fe4^iii	147.466 (17)
Fe6^viii—Fe3—Fe4^iii	140.810 (16)	Fe5^ix—Fe7—Fe4^xvi	61.268 (12)
Fe6^ix—Fe3—Fe4^vii	150.752 (16)	Fe6^ix—Fe7—Fe1^ii	64.507 (13)
Fe6^viii—Fe3—Fe4^vii	104.092 (14)	Fe6^ix—Fe7—Fe3^ii	148.285 (17)
Fe6^ix—Fe3—Fe4^iii	87.390 (13)	Fe6^ix—Fe7—Fe3	60.682 (13)
Fe6^ix—Fe3—Fe6^viii	56.064 (11)	Fe6^ix—Fe7—Fe4^xvi	110.192 (16)
Fe6^ix—Fe3—Fe7^vi	104.491 (16)	Fe6^ix—Fe7—Fe4^iii	90.316 (15)
Fe6^ix—Fe3—Fe7	57.223 (14)	Fe6^ix—Fe7—Fe5^ix	60.464 (13)
Fe7^vi—Fe3—Fe1^vi	57.417 (12)	Fe7^vi—Fe7—Fe1^ii	173.89 (2)
Fe7—Fe3—Fe4^vii	116.978 (16)	Fe7^ii—Fe7—Fe1^ii	58.842 (11)
Fe7—Fe3—Fe4^iii	59.233 (12)	Fe7^vi—Fe7—Fe3^ii	92.24 (2)
Fe7^vi—Fe3—Fe4^iii	88.884 (14)	Fe7^ii—Fe7—Fe3^ii	62.037 (16)
Fe7^vi—Fe3—Fe4^vii	60.147 (13)	Fe7^vi—Fe7—Fe3	60.821 (14)
Fe7^vi—Fe3—Fe6^viii	111.874 (16)	Fe7^ii—Fe7—Fe3	122.50 (2)
Fe7—Fe3—Fe6^viii	103.630 (16)	Fe7^ii—Fe7—Fe4^xvi	122.68 (2)
Fe7^vi—Fe3—Fe7	57.142 (9)	Fe7^vi—Fe7—Fe4^iii	92.02 (2)
C3—Fe3—Fe1^vi	48.84 (7)	Fe7^vi—Fe7—Fe4^xvi	61.075 (14)
C3^iii—Fe3—Fe1^vi	102.24 (7)	Fe7^ii—Fe7—Fe4^iii	61.979 (16)
C3—Fe3—Fe2	110.24 (7)	Fe7^ii—Fe7—Fe5^ix	114.884 (18)
C3^iii—Fe3—Fe2	110.19 (7)	Fe7^vi—Fe7—Fe5^ix	110.562 (17)
C3^iii—Fe3—Fe4	51.55 (7)	Fe7^ii—Fe7—Fe6^ix	114.435 (18)
C3^iii—Fe3—Fe4^vii	126.24 (7)	Fe7^vi—Fe7—Fe6^ix	110.340 (17)
C3—Fe3—Fe4^vii	49.32 (7)	Fe7^ii—Fe7—Fe7^vi	127.27 (3)
C3—Fe3—Fe4	108.88 (7)	C3^xiii—Fe7—Fe1	108.17 (7)
C3—Fe3—Fe4^iii	153.73 (8)	C3^xiii—Fe7—Fe1^ii	49.01 (7)
C3^iii—Fe3—Fe4^iii	102.76 (7)	C3^xiii—Fe7—Fe3^ii	126.91 (7)
C3^iii—Fe3—Fe6^viii	49.29 (7)	C3^xiii—Fe7—Fe3	72.69 (7)
C3—Fe3—Fe6^ix	102.42 (7)	C3^xiii—Fe7—Fe4^iii	50.00 (7)
C3^iii—Fe3—Fe6^ix	60.14 (7)	C3^xiii—Fe7—Fe4^xvi	158.96 (7)
C3—Fe3—Fe6^viii	59.75 (7)	C3^xiii—Fe7—Fe5^ix	97.89 (7)
C3^iii—Fe3—Fe7	114.80 (7)	C3^xiii—Fe7—Fe6^ix	51.75 (7)
C3^iii—Fe3—Fe7^vi	159.64 (7)	C3^xiii—Fe7—Fe7^vi	131.10 (7)
C3—Fe3—Fe7	105.69 (7)	C3^xiii—Fe7—Fe7^ii	66.76 (7)
C3—Fe3—Fe7^vi	65.16 (8)	C3^xiii—Fe7—C1^ii	97.44 (10)
C3—Fe3—C3^iii	103.26 (11)	C1^ii—Fe7—Fe1	108.75 (7)
C3—Fe3—C1	107.83 (10)	C1^ii—Fe7—Fe1^ii	48.85 (7)
C3^iii—Fe3—C1	147.84 (10)	C1^ii—Fe7—Fe3^ii	50.46 (7)
C1—Fe3—Fe1^vi	104.25 (7)	C1^ii—Fe7—Fe3	158.55 (7)
C1—Fe3—Fe2	50.83 (7)	C1^ii—Fe7—Fe4^iii	127.22 (7)
C1—Fe3—Fe4^iii	47.28 (7)	C1^ii—Fe7—Fe4^xvi	72.64 (7)
C1—Fe3—Fe4^vii	71.82 (7)	C1^ii—Fe7—Fe5^ix	52.00 (7)
C1—Fe3—Fe4	108.99 (7)	C1^ii—Fe7—Fe6^ix	98.13 (7)
C1—Fe3—Fe6^ix	119.17 (7)	C1^ii—Fe7—Fe7^vi	131.45 (7)
C1—Fe3—Fe6^viii	161.07 (7)	C1^ii—Fe7—Fe7^ii	67.23 (7)
C1—Fe3—Fe7^vi	49.68 (7)	Fe1^vi—C3—Fe3^vii	141.84 (14)
C1—Fe3—Fe7	64.26 (7)	Fe1^vi—C3—Fe4^vii	136.34 (13)
Fe1^vii—Fe4—Fe2^iii	121.493 (16)	Fe1^vi—C3—Fe6^viii	69.57 (8)
Fe1^vii—Fe4—Fe3^vii	89.574 (14)	Fe1^vi—C3—Fe6^xvii	85.69 (9)
Fe1^vii—Fe4—Fe5^x	60.905 (13)	Fe1^vi—C3—Fe7^xviii	80.93 (9)
Fe1^vii—Fe4—Fe7^vii	57.221 (12)	Fe3—C3—Fe1^vi	82.80 (9)
Fe1^vii—Fe4—Fe7^xi	61.680 (13)	Fe3—C3—Fe3^vii	85.46 (10)
Fe2—Fe4—Fe1^vii	145.235 (16)	Fe3^vii—C3—Fe4^vii	77.52 (8)
Fe2—Fe4—Fe2^iii	62.129 (11)	Fe3—C3—Fe4^vii	83.49 (9)
Fe2—Fe4—Fe3^vii	89.428 (15)	Fe3—C3—Fe6^xvii	142.12 (14)
Fe2^iii—Fe4—Fe3^vii	148.395 (18)	Fe3^vii—C3—Fe6^viii	72.31 (8)
Fe2—Fe4—Fe3	59.502 (14)	Fe3^vii—C3—Fe6^xvii	81.69 (9)
Fe2—Fe4—Fe5^vii	89.246 (14)	Fe3—C3—Fe6^viii	74.42 (8)
Fe2—Fe4—Fe5^x	110.849 (15)	Fe3—C3—Fe7^xviii	135.82 (13)
Fe2—Fe4—Fe7^xi	145.899 (18)	Fe4^vii—C3—Fe6^viii	143.61 (12)
Fe2—Fe4—Fe7^vii	145.397 (17)	Fe6^xvii—C3—Fe4^vii	127.43 (12)
Fe3—Fe4—Fe1^vii	145.777 (16)	Fe6^xvii—C3—Fe6^viii	67.74 (7)
Fe3—Fe4—Fe2^iii	89.544 (15)	Fe7^xviii—C3—Fe3^vii	129.92 (12)
Fe3—Fe4—Fe3^vii	62.606 (11)	Fe7^xviii—C3—Fe4^vii	80.68 (9)
Fe3—Fe4—Fe5^x	146.983 (18)	Fe7^xviii—C3—Fe6^xvii	76.88 (9)
Fe3—Fe4—Fe5^vii	144.237 (17)	Fe7^xviii—C3—Fe6^viii	134.83 (12)
Fe3—Fe4—Fe7^xi	111.374 (15)	Fe1—C1—Fe2	143.90 (12)
Fe3—Fe4—Fe7^vii	90.147 (13)	Fe1—C1—Fe3	135.36 (12)
Fe5^vii—Fe4—Fe1^vii	57.353 (12)	Fe1—C1—Fe5	70.80 (8)
Fe5^vii—Fe4—Fe2^iii	90.315 (13)	Fe1—C1—Fe5^i	85.34 (10)
Fe5^x—Fe4—Fe2^iii	60.590 (12)	Fe1—C1—Fe7^vi	80.88 (9)
Fe5^x—Fe4—Fe3^vii	149.806 (18)	Fe2—C1—Fe3	76.81 (9)
Fe5^vii—Fe4—Fe3^vii	103.596 (15)	Fe2—C1—Fe5	73.11 (7)
Fe5^vii—Fe4—Fe5^x	56.543 (14)	Fe2—C1—Fe5^i	82.56 (9)
Fe5^x—Fe4—Fe7^xi	56.951 (14)	Fe2—C1—Fe7^vi	128.32 (13)
Fe5^vii—Fe4—Fe7^vii	111.969 (17)	Fe3—C1—Fe5	143.08 (12)
Fe5^vii—Fe4—Fe7^xi	104.299 (16)	Fe4^iii—C1—Fe1	82.99 (10)
Fe7^xi—Fe4—Fe2^iii	86.265 (15)	Fe4^iii—C1—Fe2	86.47 (10)
Fe7^vii—Fe4—Fe2^iii	140.027 (17)	Fe4^iii—C1—Fe3	83.11 (9)
Fe7^vii—Fe4—Fe3^vii	59.905 (12)	Fe4^iii—C1—Fe5^i	142.90 (12)
Fe7^xi—Fe4—Fe3^vii	116.547 (15)	Fe4^iii—C1—Fe5	74.22 (8)
Fe7^vii—Fe4—Fe5^x	103.703 (16)	Fe4^iii—C1—Fe7^vi	135.29 (12)
Fe7^vii—Fe4—Fe7^xi	56.947 (9)	Fe5^i—C1—Fe3	127.86 (13)
C3^iii—Fe4—Fe1^vii	103.63 (7)	Fe5^i—C1—Fe5	68.68 (7)
C3^iii—Fe4—Fe2	109.01 (7)	Fe7^vi—C1—Fe3	79.86 (8)
C3^iii—Fe4—Fe2^iii	103.10 (7)	Fe7^vi—C1—Fe5	136.25 (12)
C3^iii—Fe4—Fe3	50.92 (7)	Fe7^vi—C1—Fe5^i	76.59 (9)
C3^iii—Fe4—Fe3^vii	71.83 (7)	Fe1^i—C2—Fe2^vii	141.27 (13)
C3^iii—Fe4—Fe5^vii	160.87 (7)	Fe1^i—C2—Fe4^vii	138.36 (13)
C3^iii—Fe4—Fe5^x	118.66 (7)	Fe1^i—C2—Fe5^xviii	83.61 (9)
C3^iii—Fe4—Fe7^vii	49.32 (7)	Fe1^i—C2—Fe5^i	67.74 (7)
C3^iii—Fe4—Fe7^xi	63.73 (7)	Fe1^i—C2—Fe6^vii	69.37 (7)
C3^iii—Fe4—C2^iii	147.88 (10)	Fe1^i—C2—Fe6^xviii	83.96 (9)
C1^vii—Fe4—Fe1^vii	48.61 (7)	Fe2—C2—Fe1^i	85.31 (10)
C1^vii—Fe4—Fe2	108.22 (7)	Fe2—C2—Fe2^vii	84.55 (9)
C1^vii—Fe4—Fe2^iii	148.81 (7)	Fe2—C2—Fe4^vii	82.97 (9)
C1^vii—Fe4—Fe3^vii	49.60 (7)	Fe2^vii—C2—Fe4^vii	76.93 (8)
C1^vii—Fe4—Fe3	111.61 (7)	Fe2^vii—C2—Fe5^i	142.28 (11)
C1^vii—Fe4—Fe5^x	101.41 (7)	Fe2—C2—Fe5^i	73.05 (8)
C1^vii—Fe4—Fe5^vii	59.02 (7)	Fe2—C2—Fe5^xviii	138.98 (13)
C1^vii—Fe4—Fe7^xi	105.56 (7)	Fe2^vii—C2—Fe5^xviii	126.28 (12)
C1^vii—Fe4—Fe7^vii	65.41 (7)	Fe2^vii—C2—Fe6^vii	71.91 (8)
C1^vii—Fe4—C3^iii	108.02 (10)	Fe2—C2—Fe6^vii	73.11 (8)
C1^vii—Fe4—C2^iii	102.78 (9)	Fe2—C2—Fe6^xviii	140.27 (13)
C2^iii—Fe4—Fe1^vii	103.42 (7)	Fe2^vii—C2—Fe6^xviii	80.41 (9)
C2^iii—Fe4—Fe2	51.08 (7)	Fe4^vii—C2—Fe5^i	70.62 (7)
C2^iii—Fe4—Fe2^iii	47.08 (7)	Fe4^vii—C2—Fe6^vii	142.05 (12)
C2^iii—Fe4—Fe3	108.85 (7)	Fe5^xviii—C2—Fe4^vii	79.63 (9)
C2^iii—Fe4—Fe3^vii	125.28 (7)	Fe5^xviii—C2—Fe5^i	66.19 (7)
C2^iii—Fe4—Fe5^x	62.22 (7)	Fe5^xviii—C2—Fe6^xviii	77.33 (8)
C2^iii—Fe4—Fe5^vii	49.81 (7)	Fe5^xviii—C2—Fe6^vii	136.93 (11)
C2^iii—Fe4—Fe7^xi	116.33 (7)	Fe6^xviii—C2—Fe4^vii	128.02 (12)
C2^iii—Fe4—Fe7^vii	160.64 (7)	Fe6^xviii—C2—Fe5^i	135.35 (11)
Fe1—Fe5—Fe2	95.958 (16)	Fe6^vii—C2—Fe5^i	126.54 (10)
Fe1—Fe5—Fe4^v	93.739 (16)	Fe6^xviii—C2—Fe6^vii	67.29 (7)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, y−1/2, −z+1/2; (iii) −x+1/2, y−1/2, z; (iv) −x+1, −y, −z+1; (v) x+1/2, −y+1/2, −z+1; (vi) −x+1, y+1/2, −z+1/2; (vii) −x+1/2, y+1/2, z; (viii) −x+1/2, −y+1, z−1/2; (ix) x, −y+1/2, z−1/2; (x) x−1/2, −y+1/2, −z+1; (xi) x−1/2, y, −z+1/2; (xii) x, −y+1/2, z+1/2; (xiii) x, y−1, z; (xiv) x, −y+3/2, z+1/2; (xv) −x+1/2, −y+1, z+1/2; (xvi) x+1/2, y, −z+1/2; (xvii) x, −y+3/2, z−1/2; (xviii) x, y+1, z.

Iron carbide (II)

Crystal data

C6Fe14	Dx = 7.622 Mg m^−3
Mr = 853.90	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbca	Cell parameters from 2015 reflections
a = 4.5251 (4) Å	θ = 6.8–30.3°
b = 13.7555 (10) Å	µ = 26.30 mm^−1
c = 23.9096 (16) Å	T = 298 K
V = 1488.3 (2) Å^3	Block, metallic light gray
Z = 8	0.08 × 0.04 × 0.04 mm
F(000) = 3240.5764

Data collection

Bruker DUO CCD area-detector diffractometer	2275 independent reflections
Radiation source: fine-focus sealed tube	1095 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.060
Detector resolution: 25 pixels mm^-1	θmax = 30.5°, θmin = 1.7°
φ and ω scans	h = −6→6
Absorption correction: multi-scan SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0871 before and 0.0484 after correction. The Ratio of minimum to maximum transmission is 0.7968. The λ/2 correction factor is 0.0015.	k = −16→19
Tmin = 0.595, Tmax = 0.746	l = −34→20
12211 measured reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	0 constraints
R[F^2 > 2σ(F^2)] = 0.059	Primary atom site location: dual
wR(F^2) = 0.226	w = 1/[σ^2(Fo^2) + (0.1074P)^2 + 12.8085P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.001
2275 reflections	Δρmax = 4.19 e Å^−3
208 parameters	Δρmin = −3.66 e Å^−3

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Fe1	0.5723 (5)	0.84167 (13)	0.53065 (8)	0.0007 (4)
Fe2	0.5649 (4)	0.65837 (13)	0.53111 (8)	−0.0004 (4)
Fe3	0.5640 (4)	0.75145 (13)	0.43871 (8)	0.0004 (4)
Fe4	0.2416 (4)	0.99970 (15)	0.41610 (11)	−0.0001 (5)
Fe5	0.7398 (4)	0.75294 (16)	0.33380 (12)	0.0045 (6)
Fe6	0.7268 (4)	0.91103 (18)	0.38672 (12)	0.0048 (5)
Fe7	0.2508 (4)	0.99774 (16)	0.52140 (11)	0.0019 (5)
Fe8	0.2291 (4)	0.84099 (17)	0.36319 (10)	0.0008 (5)
Fe9	1.2476 (4)	0.65815 (17)	0.36272 (11)	0.0022 (5)
Fe10	0.7481 (4)	0.75144 (16)	0.22873 (11)	0.0035 (5)
Fe11	0.7483 (4)	0.59542 (17)	0.38669 (12)	0.0037 (5)
Fe12	0.9272 (6)	0.59407 (16)	0.28047 (9)	0.0095 (5)
Fe13	0.9366 (6)	0.50077 (15)	0.18834 (9)	0.0094 (5)
Fe14	0.9379 (6)	0.41051 (16)	0.28174 (10)	0.0096 (5)
C1	0.464 (3)	0.8960 (9)	0.4544 (6)	0.004 (2)
C2	0.971 (3)	0.8921 (10)	0.5472 (6)	0.004 (2)
C3	0.965 (3)	0.7466 (9)	0.4050 (5)	0.002 (2)
C4	0.529 (3)	0.6457 (16)	0.2971 (8)	−0.001 (4)	0.666700
C5	0.540 (4)	0.3586 (15)	0.2964 (8)	−0.002 (3)	0.666700
C6	1.058 (5)	0.5023 (13)	0.3139 (11)	−0.025 (3)	0.333330
C7	0.538 (4)	0.5095 (15)	0.1548 (9)	0.001 (4)	0.666700
C8	1.077 (6)	0.4066 (19)	0.2180 (13)	−0.017 (5)	0.333330
C9	1.060 (6)	0.5929 (18)	0.2180 (9)	−0.023 (4)	0.333330

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.0008 (9)	0.0005 (8)	0.0008 (8)	−0.0003 (7)	0.0005 (8)	0.0002 (6)
Fe2	−0.0004 (8)	0.0004 (8)	−0.0010 (8)	0.0011 (7)	0.0003 (7)	−0.0004 (6)
Fe3	0.0002 (8)	0.0006 (8)	0.0003 (8)	0.0000 (7)	0.0009 (7)	0.0004 (6)
Fe4	0.0009 (12)	−0.0016 (10)	0.0003 (11)	0.0009 (5)	0.0000 (6)	0.0005 (8)
Fe5	0.0034 (13)	0.0063 (11)	0.0038 (12)	−0.0004 (7)	0.0000 (6)	0.0003 (9)
Fe6	0.0034 (11)	0.0053 (11)	0.0055 (12)	−0.0023 (7)	−0.0002 (7)	−0.0011 (9)
Fe7	0.0007 (13)	0.0028 (10)	0.0022 (12)	−0.0008 (6)	−0.0001 (6)	−0.0001 (8)
Fe8	−0.0003 (10)	0.0017 (10)	0.0011 (11)	0.0003 (6)	0.0005 (6)	−0.0019 (8)
Fe9	0.0023 (13)	−0.0002 (10)	0.0046 (13)	−0.0006 (6)	0.0000 (6)	0.0010 (8)
Fe10	0.0031 (13)	0.0060 (11)	0.0014 (11)	0.0009 (6)	0.0001 (6)	−0.0006 (9)
Fe11	0.0015 (12)	0.0059 (12)	0.0038 (12)	0.0019 (6)	0.0000 (6)	−0.0007 (9)
Fe12	0.0122 (12)	0.0107 (11)	0.0057 (10)	−0.0002 (9)	0.0003 (10)	−0.0004 (8)
Fe13	0.0114 (11)	0.0095 (10)	0.0073 (10)	0.0010 (9)	0.0000 (9)	0.0001 (9)
Fe14	0.0109 (11)	0.0087 (10)	0.0091 (11)	0.0013 (9)	−0.0027 (10)	0.0004 (8)
C1	0.005 (6)	−0.001 (5)	0.008 (6)	−0.009 (5)	0.003 (5)	0.000 (4)
C2	−0.001 (6)	0.001 (5)	0.013 (6)	−0.004 (5)	−0.001 (5)	−0.008 (5)
C3	0.004 (6)	0.009 (6)	−0.007 (5)	0.000 (5)	0.001 (4)	−0.003 (4)
C4	−0.018 (6)	0.017 (11)	0.000 (8)	−0.007 (6)	−0.008 (6)	0.011 (8)
C5	−0.004 (8)	0.003 (9)	−0.006 (7)	0.012 (7)	−0.009 (6)	−0.001 (7)
C6	−0.025 (9)	−0.034 (7)	−0.017 (11)	−0.007 (6)	−0.001 (8)	0.005 (7)
C7	−0.003 (8)	0.011 (10)	−0.004 (9)	−0.003 (7)	0.006 (7)	−0.012 (7)
C8	−0.027 (9)	−0.023 (10)	−0.001 (14)	0.003 (8)	0.000 (9)	−0.010 (10)
C9	−0.016 (11)	−0.019 (10)	−0.033 (7)	−0.005 (8)	−0.002 (8)	0.000 (7)

Geometric parameters (Å, º)

Fe1—Fe2	2.522 (3)	Fe7—Fe7^vi	2.490 (4)
Fe1—Fe2^i	2.730 (3)	Fe7—Fe11^i	2.544 (4)
Fe1—Fe2^ii	2.674 (3)	Fe7—C1^iii	2.033 (13)
Fe1—Fe3^ii	2.670 (3)	Fe7—C1	2.336 (13)
Fe1—Fe3	2.525 (3)	Fe7—C2^iii	2.447 (14)
Fe1—Fe3^i	2.733 (3)	Fe7—C2^v	2.024 (14)
Fe1—Fe4^iii	2.663 (3)	Fe8—Fe9^v	2.516 (4)
Fe1—Fe7^iii	2.659 (3)	Fe8—Fe10^xi	2.521 (4)
Fe1—Fe7	2.603 (3)	Fe8—Fe13^ix	2.629 (3)
Fe1—Fe9^i	2.670 (3)	Fe8—Fe14^vii	2.641 (3)
Fe1—Fe11^i	2.609 (3)	Fe8—C1	2.542 (14)
Fe1—C1	2.029 (14)	Fe8—C3^v	2.028 (13)
Fe1—C2	1.973 (13)	Fe8—C5^viii	2.02 (2)
Fe1—C3^i	2.019 (13)	Fe8—C7^ix	2.583 (19)
Fe2—Fe3^i	2.683 (3)	Fe8—C8^ix	2.55 (3)
Fe2—Fe3^ii	2.676 (3)	Fe9—Fe10^xii	2.535 (4)
Fe2—Fe3	2.553 (3)	Fe9—Fe11	2.486 (3)
Fe2—Fe4^ii	2.638 (3)	Fe9—Fe11^x	2.491 (2)
Fe2—Fe6^i	2.667 (3)	Fe9—Fe12	2.597 (3)
Fe2—Fe7^iv	2.641 (3)	Fe9—Fe13^xii	2.628 (3)
Fe2—Fe7^ii	2.626 (3)	Fe9—C2^ii	2.478 (15)
Fe2—Fe8^ii	2.634 (3)	Fe9—C3	2.034 (13)
Fe2—C1^ii	1.986 (13)	Fe9—C4^x	2.03 (2)
Fe2—C2^i	2.042 (14)	Fe9—C6	2.59 (2)
Fe2—C3^i	2.060 (12)	Fe9—C7^xii	2.29 (2)
Fe3—Fe5	2.631 (3)	Fe9—C9^xii	2.56 (3)
Fe3—Fe6	2.628 (3)	Fe10—Fe10^xii	2.481 (2)
Fe3—Fe8	2.660 (3)	Fe10—Fe10^xi	2.481 (2)
Fe3—Fe9^v	2.645 (3)	Fe10—Fe12	2.622 (3)
Fe3—Fe11	2.617 (3)	Fe10—Fe12^xi	2.616 (3)
Fe3—C1	2.073 (13)	Fe10—Fe14^vii	2.665 (3)
Fe3—C2^i	2.048 (14)	Fe10—Fe14^xiii	2.621 (3)
Fe3—C3	1.987 (13)	Fe10—C4^xii	2.030 (19)
Fe4—Fe6^v	2.722 (3)	Fe10—C4	2.401 (18)
Fe4—Fe6	2.608 (3)	Fe10—C5^ix	2.06 (2)
Fe4—Fe7^vi	2.683 (3)	Fe10—C5^vii	2.390 (17)
Fe4—Fe7^iii	2.740 (3)	Fe11—Fe12	2.666 (4)
Fe4—Fe7	2.518 (4)	Fe11—Fe13^xi	2.627 (3)
Fe4—Fe8	2.524 (3)	Fe11—C2^i	2.026 (14)
Fe4—Fe9^vii	2.526 (3)	Fe11—C3	2.341 (13)
Fe4—Fe11^vii	2.749 (3)	Fe11—C4	2.459 (17)
Fe4—Fe11^viii	2.673 (3)	Fe11—C6	2.58 (3)
Fe4—Fe13^ix	2.624 (3)	Fe11—C7^xii	2.02 (2)
Fe4—C1	1.973 (14)	Fe12—Fe12^xi	2.691 (2)
Fe4—C2^iii	1.977 (13)	Fe12—Fe12^xii	2.691 (2)
Fe4—C7^ix	1.972 (19)	Fe12—Fe13	2.550 (3)
Fe5—Fe6	2.517 (4)	Fe12—Fe13^xi	2.670 (4)
Fe5—Fe8^x	2.620 (3)	Fe12—Fe13^xii	2.742 (4)
Fe5—Fe8	2.702 (3)	Fe12—Fe14	2.526 (3)
Fe5—Fe9	2.731 (3)	Fe12—C4^xii	2.04 (2)
Fe5—Fe9^v	2.672 (3)	Fe12—C4	1.975 (19)
Fe5—Fe10^xi	2.680 (3)	Fe12—C6	1.61 (2)
Fe5—Fe10	2.512 (4)	Fe12—C7^xii	2.000 (18)
Fe5—Fe10^xii	2.744 (3)	Fe12—C9^xi	1.66 (3)
Fe5—Fe11	2.509 (4)	Fe12—C9	1.61 (2)
Fe5—Fe12	2.668 (3)	Fe13—Fe14^xi	2.673 (4)
Fe5—Fe14^vii	2.626 (3)	Fe13—Fe14	2.555 (3)
Fe5—C3	1.986 (12)	Fe13—Fe14^xii	2.683 (4)
Fe5—C4	1.96 (2)	Fe13—C4^xii	2.07 (2)
Fe5—C5^vii	1.976 (18)	Fe13—C5^xii	2.044 (19)
Fe5—C8^xiii	2.59 (3)	Fe13—C6^xi	1.71 (2)
Fe6—Fe7^iii	2.532 (4)	Fe13—C7	1.98 (2)
Fe6—Fe8^x	2.532 (3)	Fe13—C8	1.61 (3)
Fe6—Fe8	2.513 (3)	Fe13—C9	1.56 (2)
Fe6—Fe11^vii	2.539 (4)	Fe14—Fe14^xii	2.724 (3)
Fe6—Fe13^xiii	2.658 (4)	Fe14—Fe14^xi	2.724 (3)
Fe6—Fe14^vii	2.618 (4)	Fe14—C5^xii	2.054 (18)
Fe6—C1	2.019 (13)	Fe14—C5	1.97 (2)
Fe6—C3	2.543 (13)	Fe14—C6	1.58 (2)
Fe6—C5^vii	2.509 (17)	Fe14—C7^xii	2.09 (2)
Fe6—C6^vii	2.50 (2)	Fe14—C8	1.65 (3)
Fe6—C7^ix	2.062 (19)	Fe14—C8^xi	1.63 (3)
Fe7—Fe7^iii	2.478 (4)
Fe4^iii—Fe1—Fe3^ii	89.91 (8)	Fe5—Fe9—Fe1^ii	89.50 (10)
Fe4^iii—Fe1—Fe3	145.46 (10)	Fe5—Fe9—Fe3^x	113.44 (11)
Fe4^iii—Fe1—Fe3^i	121.47 (9)	Fe5^x—Fe9—Fe3^x	59.33 (8)
Fe7—Fe1—Fe3	108.85 (10)	Fe5^x—Fe9—Fe4^xiv	122.40 (10)
Fe7^iii—Fe1—Fe3^i	140.21 (10)	Fe5—Fe9—Fe4^xiv	123.78 (9)
Fe7^iii—Fe1—Fe3	90.30 (9)	Fe8^x—Fe9—Fe1^ii	89.14 (10)
Fe7—Fe1—Fe3^i	86.50 (8)	Fe8^x—Fe9—Fe3^x	61.97 (8)
Fe7^iii—Fe1—Fe3^ii	106.02 (9)	Fe8^x—Fe9—Fe4^xiv	149.39 (14)
Fe7—Fe1—Fe3^ii	152.23 (10)	Fe8^x—Fe9—Fe5^x	62.69 (8)
Fe7—Fe1—Fe4^iii	62.71 (8)	Fe8^x—Fe9—Fe5	59.74 (8)
Fe7^iii—Fe1—Fe4^iii	56.48 (8)	Fe10^xii—Fe9—Fe1^ii	145.42 (11)
Fe9^i—Fe1—Fe3^i	89.69 (8)	Fe10^xii—Fe9—Fe3^x	110.26 (10)
Fe9^i—Fe1—Fe3^ii	59.39 (7)	Fe10^xii—Fe9—Fe4^xiv	150.74 (13)
Fe9^i—Fe1—Fe3	146.75 (10)	Fe10^xii—Fe9—Fe5^x	61.90 (9)
Fe9^i—Fe1—Fe4^iii	56.55 (8)	Fe10^xii—Fe9—Fe5	62.67 (9)
Fe9^i—Fe1—Fe7^iii	110.90 (10)	Fe10^xii—Fe9—Fe8^x	59.87 (9)
Fe9^i—Fe1—Fe7	104.27 (10)	Fe11—Fe9—Fe1^ii	60.66 (8)
Fe11^i—Fe1—Fe3^ii	114.82 (9)	Fe11^x—Fe9—Fe1^ii	92.91 (10)
Fe11^i—Fe1—Fe3	144.53 (11)	Fe11^x—Fe9—Fe3^x	61.17 (8)
Fe11^i—Fe1—Fe3^i	58.62 (7)	Fe11—Fe9—Fe3^x	120.13 (11)
Fe11^i—Fe1—Fe4^iii	62.85 (8)	Fe11—Fe9—Fe4^xiv	66.51 (8)
Fe11^i—Fe1—Fe7	58.44 (9)	Fe11^x—Fe9—Fe4^xiv	64.37 (8)
Fe11^i—Fe1—Fe7^iii	104.37 (10)	Fe11—Fe9—Fe5^x	170.69 (11)
Fe11^i—Fe1—Fe9^i	56.17 (8)	Fe11—Fe9—Fe5	57.26 (8)
C1—Fe1—Fe3^i	102.2 (4)	Fe11^x—Fe9—Fe5^x	58.03 (8)
C1—Fe1—Fe3^ii	128.6 (4)	Fe11^x—Fe9—Fe5	171.43 (11)
C1—Fe1—Fe3	52.8 (4)	Fe11^x—Fe9—Fe8^x	112.05 (9)
C1—Fe1—Fe4^iii	101.8 (4)	Fe11—Fe9—Fe8^x	108.40 (9)
C1—Fe1—Fe7	59.0 (4)	Fe11^x—Fe9—Fe10^xii	111.90 (9)
C1—Fe1—Fe7^iii	49.2 (4)	Fe11—Fe9—Fe10^xii	112.05 (9)
C1—Fe1—Fe9^i	158.2 (4)	Fe12—Fe9—Fe1^ii	123.88 (10)
C1—Fe1—Fe11^i	115.0 (4)	Fe12—Fe9—Fe3^x	170.67 (12)
C2—Fe1—Fe3^i	151.7 (4)	Fe12—Fe9—Fe4^xiv	95.77 (10)
C2—Fe1—Fe3	111.2 (4)	Fe12—Fe9—Fe5	60.04 (9)
C2—Fe1—Fe3^ii	49.6 (4)	Fe12—Fe9—Fe5^x	115.78 (13)
C2—Fe1—Fe4^iii	47.7 (4)	Fe12—Fe9—Fe8^x	108.90 (11)
C2—Fe1—Fe7	103.8 (4)	Fe12—Fe9—Fe10^xii	61.27 (9)
C2—Fe1—Fe7^iii	61.7 (4)	Fe12—Fe9—Fe11	63.22 (9)
C2—Fe1—Fe9^i	62.4 (4)	Fe12—Fe9—Fe11^x	124.35 (11)
C2—Fe1—Fe11^i	104.2 (4)	Fe13^xii—Fe9—Fe1^ii	122.75 (11)
C2—Fe1—C1	105.7 (6)	Fe13^xii—Fe9—Fe3^x	122.85 (11)
C3^i—Fe1—Fe3	111.4 (4)	Fe13^xii—Fe9—Fe4^xiv	61.17 (9)
C3^i—Fe1—Fe3^i	46.5 (4)	Fe13^xii—Fe9—Fe5^x	90.60 (10)
C3^i—Fe1—Fe3^ii	72.7 (4)	Fe13^xii—Fe9—Fe5	123.33 (12)
C3^i—Fe1—Fe4^iii	101.8 (4)	Fe13^xii—Fe9—Fe8^x	146.73 (12)
C3^i—Fe1—Fe7^iii	158.2 (4)	Fe13^xii—Fe9—Fe10^xii	90.92 (10)
C3^i—Fe1—Fe7	115.3 (4)	Fe13^xii—Fe9—Fe11	96.72 (10)
C3^i—Fe1—Fe9^i	49.0 (4)	Fe13^xii—Fe9—Fe11^x	61.68 (9)
C3^i—Fe1—Fe11^i	59.2 (4)	Fe13^xii—Fe9—Fe12	63.29 (9)
C3^i—Fe1—C1	148.0 (5)	C2^ii—Fe9—Fe1^ii	44.9 (3)
C3^i—Fe1—C2	106.2 (6)	C2^ii—Fe9—Fe3^x	47.0 (3)
Fe3^i—Fe2—Fe1^ii	148.89 (9)	C2^ii—Fe9—Fe4^xiv	46.5 (3)
Fe3—Fe2—Fe1^ii	62.19 (7)	C2^ii—Fe9—Fe5^x	91.2 (3)
Fe3^ii—Fe2—Fe1^i	148.51 (9)	C2^ii—Fe9—Fe5	134.1 (3)
Fe3—Fe2—Fe1	59.66 (7)	C2^ii—Fe9—Fe8^x	106.8 (3)
Fe3^ii—Fe2—Fe1	61.74 (7)	C2^ii—Fe9—Fe10^xii	153.0 (3)
Fe3^i—Fe2—Fe1	63.26 (8)	C2^ii—Fe9—Fe11^x	48.1 (3)
Fe3^ii—Fe2—Fe1^ii	55.68 (7)	C2^ii—Fe9—Fe11	94.2 (3)
Fe3—Fe2—Fe1^i	61.38 (7)	C2^ii—Fe9—Fe12	142.3 (3)
Fe3^i—Fe2—Fe1^i	56.24 (7)	C2^ii—Fe9—Fe13^xii	92.4 (3)
Fe4^ii—Fe2—Fe1^i	121.11 (9)	C3—Fe9—Fe1^ii	48.6 (4)
Fe4^ii—Fe2—Fe1	145.30 (10)	C3—Fe9—Fe3^x	73.1 (4)
Fe4^ii—Fe2—Fe1^ii	90.21 (8)	C3—Fe9—Fe4^xiv	106.1 (4)
Fe4^ii—Fe2—Fe3^ii	89.84 (8)	C3—Fe9—Fe5^x	111.1 (4)
Fe4^ii—Fe2—Fe3	145.86 (10)	C3—Fe9—Fe5	46.5 (4)
Fe4^ii—Fe2—Fe3^i	120.56 (9)	C3—Fe9—Fe8^x	51.6 (4)
Fe6^i—Fe2—Fe1^i	85.90 (9)	C3—Fe9—Fe10^xii	97.3 (4)
Fe6^i—Fe2—Fe1	111.63 (10)	C3—Fe9—Fe11^x	131.6 (4)
Fe6^i—Fe2—Fe1^ii	151.76 (10)	C3—Fe9—Fe11	61.4 (4)
Fe6^i—Fe2—Fe3^ii	116.84 (9)	C3—Fe9—Fe12	103.2 (4)
Fe6^i—Fe2—Fe3	144.68 (11)	C3—Fe9—Fe13^xii	158.1 (4)
Fe6^i—Fe2—Fe3^i	58.84 (7)	C3—Fe9—C2^ii	89.5 (5)
Fe6^i—Fe2—Fe4^ii	61.73 (8)	C6—Fe9—C4^x	77.8 (8)
Fe7^iv—Fe2—Fe1	147.48 (10)	C9^xii—Fe9—C7^xii	77.2 (8)
Fe7^ii—Fe2—Fe1^ii	58.12 (7)	Fe8^xii—Fe10—Fe5^xii	62.50 (9)
Fe7^ii—Fe2—Fe1^i	90.16 (8)	Fe8^xii—Fe10—Fe5	150.13 (13)
Fe7^iv—Fe2—Fe1^ii	114.03 (9)	Fe8^xii—Fe10—Fe5^xi	59.51 (8)
Fe7^ii—Fe2—Fe1	144.24 (10)	Fe9^xi—Fe10—Fe5^xi	62.16 (8)
Fe7^iv—Fe2—Fe1^i	60.03 (7)	Fe9^xi—Fe10—Fe5	150.05 (13)
Fe7^ii—Fe2—Fe3^ii	103.75 (9)	Fe9^xi—Fe10—Fe5^xii	61.55 (8)
Fe7^iv—Fe2—Fe3^i	87.33 (8)	Fe9^xi—Fe10—Fe8^xii	59.69 (10)
Fe7^iv—Fe2—Fe3	110.03 (10)	Fe10^xi—Fe10—Fe5^xii	170.29 (17)
Fe7^ii—Fe2—Fe3	89.82 (9)	Fe10^xi—Fe10—Fe5	64.93 (12)
Fe7^ii—Fe2—Fe3^i	141.02 (10)	Fe10^xi—Fe10—Fe5^xi	57.22 (9)
Fe7^iv—Fe2—Fe3^ii	150.22 (9)	Fe10^xii—Fe10—Fe5^xi	171.17 (17)
Fe7^ii—Fe2—Fe4^ii	57.16 (9)	Fe10^xii—Fe10—Fe5^xii	58.11 (9)
Fe7^iv—Fe2—Fe4^ii	61.09 (7)	Fe10^xii—Fe10—Fe5	66.66 (13)
Fe7^ii—Fe2—Fe6^i	104.08 (10)	Fe10^xii—Fe10—Fe8^xii	112.86 (11)
Fe7^iv—Fe2—Fe6^i	56.97 (9)	Fe10^xi—Fe10—Fe8^xii	109.04 (10)
Fe8^ii—Fe2—Fe1^i	139.90 (10)	Fe10^xii—Fe10—Fe9^xi	110.76 (10)
Fe8^ii—Fe2—Fe1	89.83 (9)	Fe10^xi—Fe10—Fe9^xi	110.65 (10)
Fe8^ii—Fe2—Fe1^ii	106.37 (9)	Fe12—Fe10—Fe5^xi	121.50 (11)
Fe8^ii—Fe2—Fe3^ii	60.11 (7)	Fe12^xi—Fe10—Fe5^xii	114.84 (11)
Fe8^ii—Fe2—Fe3^i	88.78 (8)	Fe12^xi—Fe10—Fe5^xi	59.66 (8)
Fe8^ii—Fe2—Fe3	145.98 (10)	Fe12—Fe10—Fe5^xii	90.74 (9)
Fe8^ii—Fe2—Fe4^ii	57.20 (8)	Fe12—Fe10—Fe5	62.59 (9)
Fe8^ii—Fe2—Fe6^i	57.06 (8)	Fe12^xi—Fe10—Fe5	94.73 (10)
Fe8^ii—Fe2—Fe7^ii	111.78 (10)	Fe12—Fe10—Fe8^xii	145.63 (12)
Fe8^ii—Fe2—Fe7^iv	103.86 (10)	Fe12^xi—Fe10—Fe8^xii	108.18 (11)
C1^ii—Fe2—Fe1^i	148.7 (4)	Fe12^xi—Fe10—Fe9^xi	60.53 (9)
C1^ii—Fe2—Fe1	111.4 (4)	Fe12—Fe10—Fe9^xi	89.38 (10)
C1^ii—Fe2—Fe1^ii	47.8 (4)	Fe12^xi—Fe10—Fe10^xi	61.84 (7)
C1^ii—Fe2—Fe3	109.9 (4)	Fe12—Fe10—Fe10^xi	95.08 (11)
C1^ii—Fe2—Fe3^i	153.6 (4)	Fe14^xiii—Fe10—Fe5^xii	59.36 (8)
C1^ii—Fe2—Fe3^ii	50.2 (4)	Fe14^xiii—Fe10—Fe5	95.56 (11)
C1^ii—Fe2—Fe4^ii	48.0 (4)	Fe14^vii—Fe10—Fe5	60.86 (9)
C1^ii—Fe2—Fe6^i	105.0 (4)	Fe14^xiii—Fe10—Fe5^xi	113.34 (11)
C1^ii—Fe2—Fe7^ii	58.9 (4)	Fe14^vii—Fe10—Fe5^xi	89.32 (9)
C1^ii—Fe2—Fe7^iv	101.1 (4)	Fe14^vii—Fe10—Fe5^xii	121.41 (11)
C1^ii—Fe2—Fe8^ii	65.0 (4)	Fe14^vii—Fe10—Fe8^xii	90.15 (10)
C2^i—Fe2—Fe1	109.8 (4)	Fe14^xiii—Fe10—Fe8^xii	61.79 (9)
C2^i—Fe2—Fe1^ii	71.3 (4)	Fe14^vii—Fe10—Fe9^xi	145.63 (12)
C2^i—Fe2—Fe1^i	47.1 (4)	Fe14^xiii—Fe10—Fe9^xi	109.92 (12)
C2^i—Fe2—Fe3^ii	125.5 (4)	Fe14^vii—Fe10—Fe10^xi	61.11 (8)
C2^i—Fe2—Fe3^i	103.2 (4)	Fe14^xiii—Fe10—Fe10^xi	122.25 (8)
C2^i—Fe2—Fe3	51.5 (4)	Fe14^vii—Fe10—Fe12	123.45 (12)
C2^i—Fe2—Fe4^ii	102.8 (4)	Fe14^vii—Fe10—Fe12^xi	122.96 (10)
C2^i—Fe2—Fe6^i	115.7 (4)	Fe14^xiii—Fe10—Fe12^xi	169.66 (14)
C2^i—Fe2—Fe7^ii	49.5 (4)	Fe14^xiii—Fe10—Fe12	124.54 (10)
C2^i—Fe2—Fe7^iv	61.4 (4)	C5^vii—Fe10—C4^xii	113.3 (7)
C2^i—Fe2—Fe8^ii	160.0 (4)	C5^vii—Fe10—C4	94.5 (7)
C2^i—Fe2—C1^ii	102.8 (5)	C5^ix—Fe10—C4	111.8 (7)
C3^i—Fe2—Fe1^i	103.1 (4)	C5^ix—Fe10—C4^xii	145.3 (8)
C3^i—Fe2—Fe1^ii	125.9 (4)	Fe3—Fe11—Fe1^ii	63.06 (9)
C3^i—Fe2—Fe1	51.1 (4)	Fe4^iv—Fe11—Fe1^ii	115.49 (12)
C3^i—Fe2—Fe3^ii	72.0 (4)	Fe4^xiv—Fe11—Fe1^ii	59.54 (8)
C3^i—Fe2—Fe3	108.9 (4)	Fe4^iv—Fe11—Fe3	90.85 (9)
C3^i—Fe2—Fe3^i	47.3 (4)	Fe4^xiv—Fe11—Fe3	122.60 (11)
C3^i—Fe2—Fe4^ii	103.6 (4)	Fe5—Fe11—Fe1^ii	95.97 (11)
C3^i—Fe2—Fe6^i	63.6 (4)	Fe5—Fe11—Fe3	61.73 (9)
C3^i—Fe2—Fe7^ii	160.6 (4)	Fe5—Fe11—Fe4^iv	123.05 (9)
C3^i—Fe2—Fe7^iv	118.5 (4)	Fe5—Fe11—Fe4^xiv	123.74 (9)
C3^i—Fe2—Fe8^ii	49.3 (4)	Fe6^xiv—Fe11—Fe1^ii	107.84 (11)
C3^i—Fe2—C1^ii	108.0 (5)	Fe6^xiv—Fe11—Fe3	146.45 (13)
C3^i—Fe2—C2^i	148.2 (5)	Fe6^xiv—Fe11—Fe4^xiv	58.94 (8)
Fe5—Fe3—Fe1	145.26 (10)	Fe6^xiv—Fe11—Fe4^iv	62.91 (8)
Fe5—Fe3—Fe1^ii	90.28 (8)	Fe6^xiv—Fe11—Fe5	149.71 (15)
Fe5—Fe3—Fe1^i	121.14 (9)	Fe7^ii—Fe11—Fe1^ii	60.67 (8)
Fe6—Fe3—Fe1^i	139.82 (10)	Fe7^ii—Fe11—Fe3	90.23 (11)
Fe6—Fe3—Fe1	89.84 (9)	Fe7^ii—Fe11—Fe4^iv	61.85 (9)
Fe6—Fe3—Fe1^ii	106.41 (9)	Fe7^ii—Fe11—Fe4^xiv	62.22 (8)
Fe6—Fe3—Fe5	57.18 (9)	Fe7^ii—Fe11—Fe5	150.52 (14)
Fe8—Fe3—Fe1	111.84 (10)	Fe7^ii—Fe11—Fe6^xiv	59.76 (10)
Fe8—Fe3—Fe1^i	86.19 (9)	Fe9^v—Fe11—Fe1^ii	124.79 (11)
Fe8—Fe3—Fe1^ii	151.48 (10)	Fe9—Fe11—Fe1^ii	63.17 (8)
Fe8—Fe3—Fe5	61.41 (8)	Fe9—Fe11—Fe3	96.57 (9)
Fe8—Fe3—Fe6	56.75 (8)	Fe9^v—Fe11—Fe3	62.32 (8)
Fe9^v—Fe3—Fe1	147.62 (11)	Fe9—Fe11—Fe4^xiv	57.45 (8)
Fe9^v—Fe3—Fe1^ii	114.35 (9)	Fe9—Fe11—Fe4^iv	170.31 (11)
Fe9^v—Fe3—Fe1^i	60.31 (8)	Fe9^v—Fe11—Fe4^xiv	171.28 (11)
Fe9^v—Fe3—Fe5	60.83 (8)	Fe9^v—Fe11—Fe4^iv	58.46 (8)
Fe9^v—Fe3—Fe6	103.42 (11)	Fe9—Fe11—Fe5	66.29 (8)
Fe9^v—Fe3—Fe8	56.63 (9)	Fe9^v—Fe11—Fe5	64.59 (8)
Fe11—Fe3—Fe1^i	90.14 (8)	Fe9—Fe11—Fe6^xiv	107.84 (9)
Fe11—Fe3—Fe1^ii	58.32 (7)	Fe9^v—Fe11—Fe6^xiv	112.74 (10)
Fe11—Fe3—Fe1	144.31 (11)	Fe9—Fe11—Fe7^ii	111.72 (10)
Fe11—Fe3—Fe5	57.12 (9)	Fe9^v—Fe11—Fe7^ii	112.17 (10)
Fe11—Fe3—Fe6	111.78 (10)	Fe12—Fe11—Fe1^ii	123.60 (10)
Fe11—Fe3—Fe8	103.81 (10)	Fe12—Fe11—Fe3	123.73 (11)
Fe11—Fe3—Fe9^v	56.51 (7)	Fe12—Fe11—Fe4^xiv	89.16 (10)
C1—Fe3—Fe1	51.2 (4)	Fe12—Fe11—Fe4^iv	119.95 (12)
C1—Fe3—Fe1^ii	125.7 (4)	Fe12—Fe11—Fe5	61.99 (10)
C1—Fe3—Fe1^i	103.2 (4)	Fe12—Fe11—Fe6^xiv	88.84 (11)
C1—Fe3—Fe5	103.4 (4)	Fe12—Fe11—Fe7^ii	144.90 (12)
C1—Fe3—Fe6	49.1 (4)	Fe12—Fe11—Fe9^v	93.41 (10)
C1—Fe3—Fe8	63.6 (4)	Fe12—Fe11—Fe9	60.44 (9)
C1—Fe3—Fe9^v	118.2 (4)	Fe13^xi—Fe11—Fe1^ii	169.57 (12)
C1—Fe3—Fe11	160.4 (4)	Fe13^xi—Fe11—Fe3	124.05 (10)
C2^i—Fe3—Fe1	109.5 (4)	Fe13^xi—Fe11—Fe4^xiv	112.83 (11)
C2^i—Fe3—Fe1^ii	71.2 (4)	Fe13^xi—Fe11—Fe4^iv	59.35 (9)
C2^i—Fe3—Fe1^i	47.2 (4)	Fe13^xi—Fe11—Fe5	94.33 (11)
C2^i—Fe3—Fe5	103.1 (4)	Fe13^xi—Fe11—Fe6^xiv	61.90 (10)
C2^i—Fe3—Fe6	160.3 (4)	Fe13^xi—Fe11—Fe7^ii	110.04 (11)
C2^i—Fe3—Fe8	116.2 (4)	Fe13^xi—Fe11—Fe9^v	61.73 (9)
C2^i—Fe3—Fe9^v	62.2 (4)	Fe13^xi—Fe11—Fe9	120.17 (12)
C2^i—Fe3—Fe11	49.7 (4)	Fe13^xi—Fe11—Fe12	60.59 (10)
C2^i—Fe3—C1	148.2 (5)	C2^i—Fe11—Fe1^ii	74.3 (4)
C3—Fe3—Fe1^i	148.9 (4)	C2^i—Fe11—Fe3	50.4 (4)
C3—Fe3—Fe1^ii	47.5 (4)	C2^i—Fe11—Fe4^iv	47.3 (4)
C3—Fe3—Fe1	110.9 (4)	C2^i—Fe11—Fe4^xiv	111.2 (4)
C3—Fe3—Fe5	48.5 (4)	C2^i—Fe11—Fe5	108.1 (4)
C3—Fe3—Fe6	65.2 (4)	C2^i—Fe11—Fe6^xiv	96.4 (4)
C3—Fe3—Fe8	105.1 (4)	C2^i—Fe11—Fe7^ii	51.0 (4)
C3—Fe3—Fe9^v	101.5 (4)	C2^i—Fe11—Fe9^v	65.6 (4)
C3—Fe3—Fe11	59.3 (4)	C2^i—Fe11—Fe9	135.6 (4)
C3—Fe3—C1	107.7 (5)	C2^i—Fe11—Fe12	158.8 (4)
C3—Fe3—C2^i	102.9 (5)	C2^i—Fe11—Fe13^xi	104.0 (4)
Fe6—Fe4—Fe1^iii	104.23 (9)	C3—Fe11—Fe1^ii	47.8 (3)
Fe6^v—Fe4—Fe1^iii	139.57 (10)	C3—Fe11—Fe3	46.8 (3)
Fe7^iii—Fe4—Fe1^iii	57.57 (8)	C3—Fe11—Fe4^iv	137.4 (3)
Fe7^vi—Fe4—Fe1^iii	89.17 (9)	C3—Fe11—Fe4^xiv	91.5 (3)
Fe7—Fe4—Fe1^iii	61.68 (8)	C3—Fe11—Fe5	48.2 (3)
Fe7^vi—Fe4—Fe6	148.79 (12)	C3—Fe11—Fe6^xiv	150.3 (3)
Fe7^iii—Fe4—Fe6^v	149.76 (11)	C3—Fe11—Fe7^ii	106.5 (3)
Fe7^iii—Fe4—Fe6	56.45 (8)	C3—Fe11—Fe9^v	96.7 (3)
Fe7—Fe4—Fe6	104.51 (10)	C3—Fe11—Fe9	49.7 (3)
Fe7—Fe4—Fe6^v	105.51 (10)	C3—Fe11—Fe12	93.3 (3)
Fe7^vi—Fe4—Fe6^v	55.86 (8)	C3—Fe11—Fe13^xi	142.5 (3)
Fe8—Fe4—Fe1^iii	162.85 (9)	C3—Fe11—C2^i	92.2 (5)
Fe8—Fe4—Fe6	58.62 (8)	C6—Fe11—C4	76.7 (8)
Fe8—Fe4—Fe6^v	57.58 (8)	Fe9—Fe12—Fe5	62.47 (8)
Fe8—Fe4—Fe7^iii	107.65 (9)	Fe10^xii—Fe12—Fe5	62.55 (8)
Fe8—Fe4—Fe7	119.49 (11)	Fe10—Fe12—Fe5	56.70 (9)
Fe8—Fe4—Fe7^vi	105.78 (9)	Fe10^xii—Fe12—Fe9	58.20 (9)
Fe9^vii—Fe4—Fe1^iii	61.87 (8)	Fe10—Fe12—Fe9	104.45 (11)
Fe9^vii—Fe4—Fe6	104.55 (11)	Fe11—Fe12—Fe5	56.12 (9)
Fe9^vii—Fe4—Fe6^v	105.82 (10)	Fe11—Fe12—Fe9	56.35 (8)
Fe9^vii—Fe4—Fe7^iii	104.38 (9)	Fe11—Fe12—Fe10^xii	104.06 (11)
Fe9^vii—Fe4—Fe7	120.93 (12)	Fe11—Fe12—Fe10	110.48 (11)
Fe9^vii—Fe4—Fe7^vi	106.62 (9)	Fe12^xii—Fe12—Fe5	121.73 (7)
Fe9^vii—Fe4—Fe8	119.57 (13)	Fe12^xi—Fe12—Fe5	89.51 (7)
Fe11^viii—Fe4—Fe1^iii	89.10 (9)	Fe12^xii—Fe12—Fe9	86.59 (8)
Fe11^vii—Fe4—Fe1^iii	57.61 (8)	Fe12^xi—Fe12—Fe9	151.55 (10)
Fe11^vii—Fe4—Fe6^v	150.15 (14)	Fe12^xii—Fe12—Fe10	90.25 (10)
Fe11^viii—Fe4—Fe6^v	56.14 (8)	Fe12^xii—Fe12—Fe10^xii	59.18 (7)
Fe11^vii—Fe4—Fe6	56.51 (8)	Fe12^xi—Fe12—Fe10	58.98 (8)
Fe11^viii—Fe4—Fe6	149.07 (14)	Fe12^xi—Fe12—Fe10^xii	114.91 (9)
Fe11^viii—Fe4—Fe7	106.38 (10)	Fe12^xi—Fe12—Fe11	105.10 (9)
Fe11^viii—Fe4—Fe7^iii	146.34 (11)	Fe12^xii—Fe12—Fe11	140.46 (12)
Fe11^vii—Fe4—Fe7	104.30 (10)	Fe13^xi—Fe12—Fe5	89.76 (10)
Fe11^viii—Fe4—Fe7^vi	56.72 (8)	Fe13^xii—Fe12—Fe5	121.37 (11)
Fe11^vii—Fe4—Fe7^vi	146.46 (11)	Fe13—Fe12—Fe5	146.13 (12)
Fe11^vii—Fe4—Fe7^iii	55.22 (8)	Fe13^xi—Fe12—Fe9	114.56 (11)
Fe11^vii—Fe4—Fe8	107.75 (11)	Fe13^xii—Fe12—Fe9	58.91 (9)
Fe11^viii—Fe4—Fe8	106.00 (11)	Fe13—Fe12—Fe9	144.65 (13)
Fe11^viii—Fe4—Fe9^vii	57.18 (7)	Fe13^xii—Fe12—Fe10^xii	86.76 (10)
Fe11^vii—Fe4—Fe9^vii	56.04 (7)	Fe13^xii—Fe12—Fe10	140.78 (12)
Fe13^ix—Fe4—Fe1^iii	123.20 (11)	Fe13^xi—Fe12—Fe10	105.76 (11)
Fe13^ix—Fe4—Fe6	90.29 (11)	Fe13—Fe12—Fe10	90.76 (10)
Fe13^ix—Fe4—Fe6^v	59.59 (10)	Fe13—Fe12—Fe10^xii	109.55 (12)
Fe13^ix—Fe4—Fe7	163.04 (10)	Fe13^xi—Fe12—Fe10^xii	151.96 (12)
Fe13^ix—Fe4—Fe7^vi	105.94 (10)	Fe13—Fe12—Fe11	146.27 (12)
Fe13^ix—Fe4—Fe7^iii	140.94 (11)	Fe13^xi—Fe12—Fe11	58.99 (9)
Fe13^ix—Fe4—Fe8	61.38 (9)	Fe13^xii—Fe12—Fe11	89.97 (10)
Fe13^ix—Fe4—Fe9^vii	61.33 (9)	Fe13^xii—Fe12—Fe12^xi	148.67 (9)
Fe13^ix—Fe4—Fe11^vii	90.69 (11)	Fe13^xi—Fe12—Fe12^xi	56.79 (6)
Fe13^ix—Fe4—Fe11^viii	59.46 (10)	Fe13—Fe12—Fe12^xi	63.02 (11)
C1—Fe4—Fe1^iii	102.1 (4)	Fe14—Fe12—Fe5	144.99 (12)
C1—Fe4—Fe6	50.0 (4)	Fe14—Fe12—Fe9	108.63 (11)
C1—Fe4—Fe6^v	103.5 (4)	Fe14—Fe12—Fe10	146.84 (12)
C1—Fe4—Fe7	61.3 (4)	Fe14—Fe12—Fe10^xii	144.85 (13)
C1—Fe4—Fe7^vi	100.1 (4)	Fe14—Fe12—Fe11	90.07 (10)
C1—Fe4—Fe7^iii	47.8 (4)	Fe14—Fe12—Fe12^xi	91.30 (8)
C1—Fe4—Fe8	67.6 (4)	Fe14—Fe12—Fe13	60.45 (9)
C1—Fe4—Fe9^vii	148.1 (4)	Fe14—Fe12—Fe13^xii	60.83 (9)
C1—Fe4—Fe11^viii	154.5 (4)	Fe14—Fe12—Fe13^xi	62.10 (9)
C1—Fe4—Fe11^vii	92.1 (4)	C6—Fe12—C4	121.2 (11)
C1—Fe4—Fe13^ix	127.1 (4)	C6—Fe12—C4^xii	129.9 (11)
C2^iii—Fe4—Fe1^iii	47.5 (4)	C9—Fe12—C7^xii	128.2 (12)
C2^iii—Fe4—Fe6	151.8 (4)	C9^xi—Fe12—C7^xii	103.1 (9)
C2^iii—Fe4—Fe6^v	92.0 (4)	Fe6^xv—Fe13—Fe4^xvi	62.03 (8)
C2^iii—Fe4—Fe7^iii	99.0 (4)	Fe8^xvi—Fe13—Fe4^xvi	57.43 (8)
C2^iii—Fe4—Fe7^vi	48.6 (4)	Fe8^xvi—Fe13—Fe6^xv	57.23 (8)
C2^iii—Fe4—Fe7	64.7 (4)	Fe9^xi—Fe13—Fe4^xvi	57.50 (8)
C2^iii—Fe4—Fe8	149.6 (4)	Fe9^xi—Fe13—Fe6^xv	104.80 (11)
C2^iii—Fe4—Fe9^vii	65.4 (4)	Fe9^xi—Fe13—Fe8^xvi	112.22 (11)
C2^iii—Fe4—Fe11^viii	48.9 (4)	Fe11^xii—Fe13—Fe4^xvi	61.18 (8)
C2^iii—Fe4—Fe11^vii	99.3 (4)	Fe11^xii—Fe13—Fe6^xv	57.42 (10)
C2^iii—Fe4—Fe13^ix	105.6 (4)	Fe11^xii—Fe13—Fe8^xvi	104.33 (11)
C2^iii—Fe4—C1	125.9 (6)	Fe11^xii—Fe13—Fe9^xi	56.59 (8)
Fe6—Fe5—Fe3	61.34 (10)	Fe12—Fe13—Fe4^xvi	145.06 (12)
Fe8^x—Fe5—Fe3	90.19 (11)	Fe12^xii—Fe13—Fe4^xvi	121.60 (11)
Fe8—Fe5—Fe3	59.81 (9)	Fe12^xi—Fe13—Fe4^xvi	90.17 (10)
Fe8^x—Fe5—Fe6	59.03 (8)	Fe12^xi—Fe13—Fe6^xv	151.99 (13)
Fe8—Fe5—Fe6	57.44 (8)	Fe12^xii—Fe13—Fe6^xv	86.29 (11)
Fe9—Fe5—Fe3	90.53 (11)	Fe12—Fe13—Fe6^xv	145.76 (14)
Fe9^v—Fe5—Fe3	59.84 (9)	Fe12^xi—Fe13—Fe8^xvi	106.20 (11)
Fe9—Fe5—Fe6	107.75 (11)	Fe12^xii—Fe13—Fe8^xvi	140.34 (12)
Fe9^v—Fe5—Fe6	105.79 (11)	Fe12—Fe13—Fe8^xvi	145.18 (12)
Fe9^v—Fe5—Fe8	55.85 (8)	Fe12^xi—Fe13—Fe9^xi	57.81 (8)
Fe9—Fe5—Fe8^x	56.06 (8)	Fe12^xii—Fe13—Fe9^xi	90.25 (10)
Fe9—Fe5—Fe8	150.20 (14)	Fe12—Fe13—Fe9^xi	88.93 (10)
Fe9^v—Fe5—Fe8^x	149.40 (15)	Fe12^xii—Fe13—Fe11^xii	60.42 (9)
Fe10—Fe5—Fe3	163.25 (10)	Fe12—Fe13—Fe11^xii	110.46 (11)
Fe10^xi—Fe5—Fe3	106.31 (10)	Fe12^xi—Fe13—Fe11^xii	113.90 (10)
Fe10^xii—Fe5—Fe3	140.60 (11)	Fe14—Fe13—Fe4^xvi	146.06 (12)
Fe10^xi—Fe5—Fe6	105.52 (10)	Fe14^xi—Fe13—Fe4^xvi	89.57 (10)
Fe10^xii—Fe5—Fe6	107.46 (10)	Fe14^xii—Fe13—Fe4^xvi	120.73 (11)
Fe10—Fe5—Fe6	120.67 (13)	Fe14—Fe13—Fe6^xv	111.29 (11)
Fe10^xii—Fe5—Fe8	149.56 (12)	Fe14^xi—Fe13—Fe6^xv	116.67 (11)
Fe10—Fe5—Fe8^x	105.02 (10)	Fe14^xii—Fe13—Fe6^xv	58.71 (9)
Fe10^xi—Fe5—Fe8^x	148.72 (12)	Fe14^xii—Fe13—Fe8^xvi	88.81 (9)
Fe10—Fe5—Fe8	106.06 (10)	Fe14^xi—Fe13—Fe8^xvi	59.75 (9)
Fe10^xi—Fe5—Fe8	55.85 (8)	Fe14—Fe13—Fe8^xvi	90.23 (10)
Fe10^xii—Fe5—Fe8^x	56.01 (8)	Fe14—Fe13—Fe9^xi	143.79 (12)
Fe10—Fe5—Fe9^v	105.51 (11)	Fe14^xi—Fe13—Fe9^xi	103.42 (11)
Fe10^xi—Fe5—Fe9^v	56.55 (8)	Fe14^xii—Fe13—Fe9^xi	141.27 (12)
Fe10^xi—Fe5—Fe9	146.71 (12)	Fe14^xii—Fe13—Fe11^xii	87.57 (10)
Fe10—Fe5—Fe9	103.68 (10)	Fe14—Fe13—Fe11^xii	146.76 (13)
Fe10^xii—Fe5—Fe9^v	146.75 (12)	Fe14^xi—Fe13—Fe11^xii	150.00 (13)
Fe10^xii—Fe5—Fe9	55.17 (8)	Fe14—Fe13—Fe12	59.31 (9)
Fe11—Fe5—Fe3	61.15 (9)	Fe14^xi—Fe13—Fe12^xii	148.24 (12)
Fe11—Fe5—Fe6	119.55 (14)	Fe14^xi—Fe13—Fe12^xi	55.58 (9)
Fe11—Fe5—Fe8	105.61 (11)	Fe14^xii—Fe13—Fe12^xi	148.75 (12)
Fe11—Fe5—Fe8^x	104.54 (11)	Fe14—Fe13—Fe12^xii	89.29 (10)
Fe11—Fe5—Fe9^v	57.38 (8)	Fe14^xi—Fe13—Fe12	89.34 (11)
Fe11—Fe5—Fe9	56.44 (8)	Fe14^xii—Fe13—Fe12	90.96 (11)
Fe11—Fe5—Fe10^xii	104.79 (10)	Fe14—Fe13—Fe12^xi	89.52 (10)
Fe11—Fe5—Fe10^xi	106.69 (10)	Fe14^xii—Fe13—Fe12^xii	56.30 (9)
Fe11—Fe5—Fe10	119.78 (13)	C5^xii—Fe13—C4^xii	147.8 (8)
Fe12—Fe5—Fe3	123.04 (11)	C6^xi—Fe13—C4^xii	101.3 (7)
Fe12—Fe5—Fe6	162.81 (11)	C6^xi—Fe13—C5^xii	104.2 (8)
Fe12—Fe5—Fe8^x	103.77 (10)	C8—Fe13—C7	126.1 (12)
Fe12—Fe5—Fe8	139.75 (11)	C9—Fe13—C7	117.6 (12)
Fe12—Fe5—Fe9	57.49 (9)	C9—Fe13—C8	108.3 (14)
Fe12—Fe5—Fe9^v	89.37 (10)	Fe6^xiv—Fe14—Fe5^xiv	57.36 (9)
Fe12—Fe5—Fe10	60.71 (9)	Fe8^xiv—Fe14—Fe5^xiv	61.72 (8)
Fe12—Fe5—Fe10^xi	89.49 (10)	Fe8^xiv—Fe14—Fe6^xiv	57.08 (9)
Fe12—Fe5—Fe10^xii	57.79 (8)	Fe10^xv—Fe14—Fe5^xiv	61.45 (8)
Fe12—Fe5—Fe11	61.89 (9)	Fe10^xiv—Fe14—Fe5^xiv	56.70 (9)
Fe14^vii—Fe5—Fe3	111.45 (11)	Fe10^xv—Fe14—Fe6^xiv	104.37 (11)
Fe14^vii—Fe5—Fe6	61.17 (10)	Fe10^xiv—Fe14—Fe6^xiv	111.61 (12)
Fe14^vii—Fe5—Fe8^x	90.24 (10)	Fe10^xiv—Fe14—Fe8^xiv	103.50 (10)
Fe14^vii—Fe5—Fe8	59.43 (9)	Fe10^xv—Fe14—Fe8^xiv	57.25 (9)
Fe14^vii—Fe5—Fe9^v	105.68 (10)	Fe12—Fe14—Fe5^xiv	145.61 (13)
Fe14^vii—Fe5—Fe9	140.51 (11)	Fe12—Fe14—Fe6^xiv	90.19 (11)
Fe14^vii—Fe5—Fe10	62.44 (9)	Fe12—Fe14—Fe8^xiv	112.44 (11)
Fe14^vii—Fe5—Fe10^xii	90.26 (10)	Fe12—Fe14—Fe10^xv	147.55 (13)
Fe14^vii—Fe5—Fe10^xi	59.19 (9)	Fe12—Fe14—Fe10^xiv	144.00 (12)
Fe14^vii—Fe5—Fe11	163.04 (10)	Fe13^xi—Fe14—Fe5^xiv	89.82 (10)
Fe14^vii—Fe5—Fe12	123.15 (13)	Fe13^xii—Fe14—Fe5^xiv	121.00 (11)
C3—Fe5—Fe3	48.5 (4)	Fe13—Fe14—Fe5^xiv	144.56 (12)
C3—Fe5—Fe6	67.6 (4)	Fe13^xi—Fe14—Fe6^xiv	60.17 (9)
C3—Fe5—Fe8^x	49.9 (4)	Fe13^xii—Fe14—Fe6^xiv	88.99 (10)
C3—Fe5—Fe8	103.6 (4)	Fe13—Fe14—Fe6^xiv	146.71 (12)
C3—Fe5—Fe9	48.0 (4)	Fe13^xi—Fe14—Fe8^xiv	116.95 (11)
C3—Fe5—Fe9^v	100.6 (4)	Fe13^xii—Fe14—Fe8^xiv	59.29 (9)
C3—Fe5—Fe10	148.1 (4)	Fe13—Fe14—Fe8^xiv	145.24 (13)
C3—Fe5—Fe10^xi	154.7 (4)	Fe13—Fe14—Fe10^xv	108.87 (12)
C3—Fe5—Fe10^xii	92.1 (4)	Fe13^xii—Fe14—Fe10^xv	87.46 (10)
C3—Fe5—Fe11	61.5 (4)	Fe13^xi—Fe14—Fe10^xiv	103.87 (10)
C3—Fe5—Fe12	102.2 (4)	Fe13^xii—Fe14—Fe10^xiv	140.83 (12)
C3—Fe5—Fe14^vii	126.8 (4)	Fe13^xi—Fe14—Fe10^xv	150.47 (12)
C5^vii—Fe5—C4	126.5 (7)	Fe13—Fe14—Fe10^xiv	89.00 (10)
Fe4—Fe6—Fe3	91.57 (10)	Fe13—Fe14—Fe12	60.24 (9)
Fe4^x—Fe6—Fe3	119.47 (11)	Fe13^xii—Fe14—Fe12	63.58 (9)
Fe5—Fe6—Fe3	61.48 (9)	Fe13^xi—Fe14—Fe12	61.60 (9)
Fe5—Fe6—Fe4	124.01 (10)	Fe14^xii—Fe14—Fe5^xiv	121.22 (7)
Fe5—Fe6—Fe4^x	119.80 (10)	Fe14^xi—Fe14—Fe5^xiv	90.56 (7)
Fe7^iii—Fe6—Fe3	90.85 (11)	Fe14^xi—Fe14—Fe6^xiv	107.32 (10)
Fe7^iii—Fe6—Fe4^x	61.29 (8)	Fe14^xii—Fe14—Fe6^xiv	140.39 (12)
Fe7^iii—Fe6—Fe4	64.42 (9)	Fe14^xi—Fe14—Fe8^xiv	152.18 (10)
Fe7^iii—Fe6—Fe5	149.71 (14)	Fe14^xii—Fe14—Fe8^xiv	86.39 (8)
Fe8^x—Fe6—Fe3	92.22 (9)	Fe14^xi—Fe14—Fe10^xiv	58.18 (8)
Fe8—Fe6—Fe3	62.26 (8)	Fe14^xi—Fe14—Fe10^xv	113.39 (9)
Fe8—Fe6—Fe4	59.02 (8)	Fe14^xii—Fe14—Fe10^xv	59.77 (7)
Fe8—Fe6—Fe4^x	175.22 (12)	Fe14^xii—Fe14—Fe10^xiv	89.85 (10)
Fe8^x—Fe6—Fe4	173.47 (11)	Fe14^xi—Fe14—Fe12	88.70 (8)
Fe8^x—Fe6—Fe4^x	57.28 (8)	Fe14^xii—Fe14—Fe12	90.53 (8)
Fe8—Fe6—Fe5	64.98 (8)	Fe14^xi—Fe14—Fe13^xi	56.39 (6)
Fe8^x—Fe6—Fe5	62.52 (8)	Fe14^xi—Fe14—Fe13	60.74 (11)
Fe8^x—Fe6—Fe7^iii	110.20 (10)	Fe14^xi—Fe14—Fe13^xii	148.23 (9)
Fe8—Fe6—Fe7^iii	114.85 (10)	Fe14^xii—Fe14—Fe13^xii	56.50 (6)
Fe11^vii—Fe6—Fe3	147.89 (14)	Fe14^xii—Fe14—Fe13	60.98 (11)
Fe11^vii—Fe6—Fe4	64.55 (8)	Fe14^xii—Fe14—Fe13^xi	148.28 (9)
Fe11^vii—Fe6—Fe4^x	60.95 (7)	C6—Fe14—C5^xii	130.2 (11)
Fe11^vii—Fe6—Fe5	149.55 (15)	C6—Fe14—C5	121.3 (11)
Fe11^vii—Fe6—Fe7^iii	60.22 (10)	C8^xi—Fe14—C7^xii	103.5 (11)
Fe11^vii—Fe6—Fe8^x	109.88 (9)	C8—Fe14—C7^xii	127.6 (11)
Fe11^vii—Fe6—Fe8	115.01 (10)	Fe3—C1—Fe1	76.0 (5)
Fe13^xiii—Fe6—Fe3	150.22 (12)	Fe4—C1—Fe1	143.8 (7)
Fe13^xiii—Fe6—Fe4^x	58.38 (9)	Fe4—C1—Fe3	136.1 (7)
Fe13^xiii—Fe6—Fe4	116.56 (12)	Fe6—C1—Fe1	128.1 (7)
Fe13^xiii—Fe6—Fe5	92.78 (11)	Fe6—C1—Fe3	79.9 (5)
Fe13^xiii—Fe6—Fe7^iii	109.43 (11)	Fe6—C1—Fe4	81.6 (5)
Fe13^xiii—Fe6—Fe8	122.71 (12)	Fe7—C1—Fe1	72.8 (4)
Fe13^xiii—Fe6—Fe8^x	60.81 (9)	Fe7^iii—C1—Fe1	81.8 (5)
Fe13^xiii—Fe6—Fe11^vii	60.68 (9)	Fe7—C1—Fe3	142.1 (6)
Fe14^vii—Fe6—Fe3	111.80 (11)	Fe7^iii—C1—Fe3	127.1 (7)
Fe14^vii—Fe6—Fe4^x	119.49 (12)	Fe7—C1—Fe4	71.0 (4)
Fe14^vii—Fe6—Fe4	91.15 (11)	Fe7^iii—C1—Fe4	86.3 (5)
Fe14^vii—Fe6—Fe5	61.47 (10)	Fe7—C1—Fe6	137.0 (6)
Fe14^vii—Fe6—Fe7^iii	147.62 (13)	Fe7^iii—C1—Fe6	77.3 (5)
Fe14^vii—Fe6—Fe8	61.92 (9)	Fe8—C1—Fe1	139.6 (6)
Fe14^vii—Fe6—Fe8^x	92.38 (11)	Fe8—C1—Fe3	69.5 (4)
Fe14^vii—Fe6—Fe11^vii	90.87 (12)	Fe8—C1—Fe4	66.6 (4)
Fe14^vii—Fe6—Fe13^xiii	61.12 (10)	Fe8—C1—Fe6	65.7 (4)
C1—Fe6—Fe3	50.9 (4)	Fe8—C1—Fe7^iii	136.3 (6)
C1—Fe6—Fe4	48.4 (4)	Fe8—C1—Fe7	126.4 (6)
C1—Fe6—Fe4^x	110.0 (4)	Fe3^ii—C2—Fe1	83.2 (5)
C1—Fe6—Fe5	109.2 (4)	Fe4^iii—C2—Fe1	84.8 (5)
C1—Fe6—Fe7^iii	51.6 (4)	Fe4^iii—C2—Fe3^ii	138.9 (8)
C1—Fe6—Fe8^x	131.9 (4)	Fe7^iii—C2—Fe1	73.1 (4)
C1—Fe6—Fe8	67.2 (4)	Fe7^x—C2—Fe1	139.8 (8)
C1—Fe6—Fe11^vii	97.4 (4)	Fe7^x—C2—Fe3^ii	127.9 (7)
C1—Fe6—Fe13^xiii	157.9 (4)	Fe7^iii—C2—Fe3^ii	142.3 (6)
C1—Fe6—Fe14^vii	127.0 (4)	Fe7^iii—C2—Fe4^iii	68.4 (4)
C3—Fe6—Fe3	45.1 (3)	Fe7^x—C2—Fe4^iii	84.2 (5)
C3—Fe6—Fe4	136.6 (3)	Fe9^i—C2—Fe1	72.7 (4)
C3—Fe6—Fe4^x	89.5 (3)	Fe9^i—C2—Fe3^ii	70.8 (4)
C3—Fe6—Fe5	46.2 (3)	Fe9^i—C2—Fe4^iii	68.0 (4)
C3—Fe6—Fe7^iii	105.9 (3)	Fe9^i—C2—Fe7^x	136.1 (6)
C3—Fe6—Fe8^x	47.1 (3)	Fe9^i—C2—Fe7^iii	126.0 (5)
C3—Fe6—Fe8	94.4 (3)	Fe11^ii—C2—Fe1	138.8 (8)
C3—Fe6—Fe11^vii	150.4 (3)	Fe11^ii—C2—Fe3^ii	79.9 (5)
C3—Fe6—Fe13^xiii	106.6 (3)	Fe11^ii—C2—Fe4^iii	83.8 (5)
C3—Fe6—Fe14^vii	106.4 (3)	Fe11^ii—C2—Fe7^iii	136.4 (6)
C3—Fe6—C1	91.2 (5)	Fe11^ii—C2—Fe7^x	77.8 (5)
C6^vii—Fe6—C5^vii	76.3 (8)	Fe11^ii—C2—Fe9^i	66.3 (4)
Fe4—Fe7—Fe1^iii	61.84 (8)	Fe3—C3—Fe1^ii	86.0 (5)
Fe4^vi—Fe7—Fe1^iii	119.99 (10)	Fe5—C3—Fe1^ii	143.4 (7)
Fe4—Fe7—Fe1	95.91 (10)	Fe5—C3—Fe3	83.0 (5)
Fe4^iii—Fe7—Fe1^iii	89.55 (8)	Fe6—C3—Fe1^ii	140.2 (6)
Fe4^iii—Fe7—Fe1	59.72 (8)	Fe6—C3—Fe3	69.7 (4)
Fe4^vi—Fe7—Fe1	115.32 (10)	Fe6—C3—Fe5	66.2 (4)
Fe6^iii—Fe7—Fe1^iii	88.99 (10)	Fe8^x—C3—Fe1^ii	128.2 (7)
Fe6^iii—Fe7—Fe1	108.22 (11)	Fe8^x—C3—Fe3	135.8 (7)
Fe6^iii—Fe7—Fe4^iii	59.13 (8)	Fe8^x—C3—Fe5	81.5 (5)
Fe6^iii—Fe7—Fe4^vi	62.85 (9)	Fe8^x—C3—Fe6	66.2 (4)
Fe6^iii—Fe7—Fe4	149.64 (13)	Fe9—C3—Fe1^ii	82.4 (5)
Fe7^iii—Fe7—Fe1^iii	60.77 (10)	Fe9—C3—Fe3	142.7 (7)
Fe7^vi—Fe7—Fe1	124.39 (14)	Fe9—C3—Fe5	85.6 (5)
Fe7^iii—Fe7—Fe1	63.06 (10)	Fe9—C3—Fe6	135.5 (6)
Fe7^vi—Fe7—Fe1^iii	93.52 (13)	Fe9—C3—Fe8^x	76.6 (4)
Fe7^iii—Fe7—Fe4^vi	170.31 (18)	Fe11—C3—Fe1^ii	73.1 (4)
Fe7^iii—Fe7—Fe4	66.53 (12)	Fe11—C3—Fe3	73.9 (4)
Fe7^vi—Fe7—Fe4	64.78 (12)	Fe11—C3—Fe5	70.3 (4)
Fe7^iii—Fe7—Fe4^iii	57.44 (10)	Fe11—C3—Fe6	125.5 (6)
Fe7^vi—Fe7—Fe4^iii	170.96 (17)	Fe11—C3—Fe8^x	136.3 (6)
Fe7^vi—Fe7—Fe4^vi	58.11 (10)	Fe11—C3—Fe9	68.8 (4)
Fe7^vi—Fe7—Fe6^iii	112.38 (14)	Fe9^v—C4—Fe5	84.0 (9)
Fe7^iii—Fe7—Fe6^iii	108.02 (13)	Fe10—C4—Fe5	69.5 (6)
Fe11^i—Fe7—Fe1^iii	145.51 (12)	Fe10^xi—C4—Fe5	84.3 (9)
Fe11^i—Fe7—Fe1	60.89 (8)	Fe10^xi—C4—Fe9^v	77.3 (7)
Fe11^i—Fe7—Fe4^vi	61.43 (8)	Fe10—C4—Fe9^v	137.2 (11)
Fe11^i—Fe7—Fe4^iii	62.56 (8)	Fe11—C4—Fe5	68.1 (5)
Fe11^i—Fe7—Fe4	150.34 (13)	Fe11—C4—Fe9^v	66.6 (5)
Fe11^i—Fe7—Fe6^iii	60.02 (10)	Fe11—C4—Fe10^xi	136.0 (11)
C1—Fe7—Fe1	48.1 (3)	Fe11—C4—Fe10	126.7 (6)
C1^iii—Fe7—Fe1^iii	49.0 (4)	Fe12—C4—Fe5	85.3 (6)
C1—Fe7—Fe1^iii	93.0 (3)	Fe12^xi—C4—Fe5	141.1 (10)
C1^iii—Fe7—Fe1	102.4 (4)	Fe12—C4—Fe9^v	139.4 (9)
C1—Fe7—Fe4	47.8 (3)	Fe12^xi—C4—Fe9^v	126.2 (7)
C1^iii—Fe7—Fe4^iii	45.9 (4)	Fe12^xi—C4—Fe10^xi	80.2 (6)
C1^iii—Fe7—Fe4^vi	111.0 (4)	Fe12—C4—Fe10	72.9 (5)
C1^iii—Fe7—Fe4	106.7 (4)	Fe12—C4—Fe10^xi	140.2 (10)
C1—Fe7—Fe4^vi	137.1 (3)	Fe12^xi—C4—Fe10	71.7 (6)
C1—Fe7—Fe4^iii	92.0 (4)	Fe12—C4—Fe11	73.0 (5)
C1—Fe7—Fe6^iii	151.1 (4)	Fe12^xi—C4—Fe11	141.8 (11)
C1^iii—Fe7—Fe6^iii	51.1 (4)	Fe13^xi—C4—Fe5	138.4 (9)
C1—Fe7—Fe11^i	107.0 (3)	Fe13^xi—C4—Fe9^v	79.8 (6)
C1^iii—Fe7—Fe11^i	96.9 (4)	Fe13^xi—C4—Fe10	141.5 (11)
C2^iii—Fe7—Fe1	142.8 (3)	Fe13^xi—C4—Fe10^xi	128.0 (7)
C2^v—Fe7—Fe1^iii	158.1 (4)	Fe13^xi—C4—Fe11	70.4 (5)
C2^iii—Fe7—Fe1^iii	45.2 (3)	Fe13^xi—C4—Fe12^xi	76.8 (8)
C2^v—Fe7—Fe1	74.4 (4)	Fe13^xi—C4—Fe12	82.7 (8)
C2^iii—Fe7—Fe4^iii	134.5 (3)	Fe6^xiv—C5—Fe5^xiv	67.1 (5)
C2^v—Fe7—Fe4^vi	47.1 (4)	Fe8^iv—C5—Fe5^xiv	81.9 (8)
C2^v—Fe7—Fe4	107.6 (4)	Fe8^iv—C5—Fe6^xiv	67.0 (5)
C2^iii—Fe7—Fe4	46.9 (3)	Fe10^xiv—C5—Fe5^xiv	69.5 (5)
C2^v—Fe7—Fe4^iii	111.6 (4)	Fe10^xvi—C5—Fe5^xiv	85.7 (9)
C2^iii—Fe7—Fe4^vi	91.4 (3)	Fe10^xiv—C5—Fe6^xiv	126.2 (7)
C2^iii—Fe7—Fe6^iii	106.9 (3)	Fe10^xvi—C5—Fe6^xiv	136.4 (10)
C2^v—Fe7—Fe6^iii	96.7 (4)	Fe10^xvi—C5—Fe8^iv	76.3 (8)
C2^v—Fe7—Fe11^i	51.1 (4)	Fe10^xiv—C5—Fe8^iv	134.6 (11)
C2^iii—Fe7—Fe11^i	152.7 (3)	Fe13^xi—C5—Fe5^xiv	137.6 (9)
C2^v—Fe7—C1^iii	145.8 (6)	Fe13^xi—C5—Fe6^xiv	70.6 (5)
C2^v—Fe7—C1	92.1 (5)	Fe13^xi—C5—Fe8^iv	80.6 (6)
C2^iii—Fe7—C1	94.7 (5)	Fe13^xi—C5—Fe10^xvi	126.4 (8)
C2^iii—Fe7—C1^iii	90.3 (5)	Fe13^xi—C5—Fe10^xiv	143.4 (11)
Fe4—Fe8—Fe3	92.72 (10)	Fe14—C5—Fe5^xiv	83.5 (6)
Fe5—Fe8—Fe3	58.78 (8)	Fe14^xi—C5—Fe5^xiv	141.3 (9)
Fe5^v—Fe8—Fe3	116.72 (11)	Fe14^xi—C5—Fe6^xiv	141.0 (11)
Fe5—Fe8—Fe4	119.93 (10)	Fe14—C5—Fe6^xiv	70.4 (6)
Fe5^v—Fe8—Fe4	123.59 (10)	Fe14—C5—Fe8^iv	137.3 (9)
Fe6^v—Fe8—Fe3	122.47 (11)	Fe14^xi—C5—Fe8^iv	128.7 (8)
Fe6—Fe8—Fe3	60.99 (8)	Fe14—C5—Fe10^xvi	141.9 (9)
Fe6^v—Fe8—Fe4	65.14 (8)	Fe14^xi—C5—Fe10^xvi	80.8 (6)
Fe6—Fe8—Fe4	62.36 (8)	Fe14—C5—Fe10^xiv	74.7 (6)
Fe6—Fe8—Fe5^v	174.05 (11)	Fe14^xi—C5—Fe10^xiv	71.8 (5)
Fe6^v—Fe8—Fe5^v	58.45 (8)	Fe14^xi—C5—Fe13^xi	77.2 (7)
Fe6^v—Fe8—Fe5	174.93 (11)	Fe14—C5—Fe13^xi	83.9 (9)
Fe6—Fe8—Fe5	57.57 (9)	Fe9—C6—Fe6^xiv	105.8 (10)
Fe9^v—Fe8—Fe3	61.40 (8)	Fe11—C6—Fe6^xiv	59.9 (6)
Fe9^v—Fe8—Fe4	150.00 (13)	Fe11—C6—Fe9	57.5 (5)
Fe9^v—Fe8—Fe5^v	64.21 (8)	Fe12—C6—Fe6^xiv	123.3 (13)
Fe9^v—Fe8—Fe5	61.47 (8)	Fe12—C6—Fe9	72.3 (7)
Fe9^v—Fe8—Fe6^v	114.27 (9)	Fe12—C6—Fe11	75.2 (9)
Fe9^v—Fe8—Fe6	110.75 (10)	Fe13^xii—C6—Fe6^xiv	122.0 (11)
Fe10^xi—Fe8—Fe3	110.25 (10)	Fe13^xii—C6—Fe9	72.1 (7)
Fe10^xi—Fe8—Fe4	149.20 (13)	Fe13^xii—C6—Fe11	124.8 (12)
Fe10^xi—Fe8—Fe5^v	64.48 (9)	Fe13^xii—C6—Fe12	111.3 (11)
Fe10^xi—Fe8—Fe5	61.64 (8)	Fe14—C6—Fe6^xiv	76.1 (7)
Fe10^xi—Fe8—Fe6^v	114.22 (10)	Fe14—C6—Fe9	177.3 (14)
Fe10^xi—Fe8—Fe6	110.60 (10)	Fe14—C6—Fe11	122.7 (12)
Fe10^xi—Fe8—Fe9^v	60.44 (10)	Fe14—C6—Fe12	105.1 (15)
Fe13^ix—Fe8—Fe3	150.21 (11)	Fe14—C6—Fe13^xii	108.7 (14)
Fe13^ix—Fe8—Fe4	61.19 (9)	Fe6^xvi—C7—Fe4^xvi	80.5 (7)
Fe13^ix—Fe8—Fe5	119.80 (11)	Fe8^xvi—C7—Fe4^xvi	65.7 (5)
Fe13^ix—Fe8—Fe5^v	91.13 (10)	Fe8^xvi—C7—Fe6^xvi	64.4 (5)
Fe13^ix—Fe8—Fe6^v	61.96 (9)	Fe9^xi—C7—Fe4^xvi	72.2 (7)
Fe13^ix—Fe8—Fe6	92.29 (10)	Fe9^xi—C7—Fe6^xvi	137.6 (11)
Fe13^ix—Fe8—Fe9^v	147.46 (12)	Fe9^xi—C7—Fe8^xvi	126.9 (8)
Fe13^ix—Fe8—Fe10^xi	90.55 (10)	Fe11^xi—C7—Fe4^xvi	86.9 (9)
Fe14^vii—Fe8—Fe3	110.07 (10)	Fe11^xi—C7—Fe6^xvi	76.8 (7)
Fe14^vii—Fe8—Fe4	92.50 (10)	Fe11^xi—C7—Fe8^xvi	135.0 (9)
Fe14^vii—Fe8—Fe5	58.85 (9)	Fe11^xi—C7—Fe9^xi	70.0 (7)
Fe14^vii—Fe8—Fe5^v	116.86 (12)	Fe12^xi—C7—Fe4^xvi	146.3 (11)
Fe14^vii—Fe8—Fe6^v	122.56 (11)	Fe12^xi—C7—Fe6^xvi	127.5 (9)
Fe14^vii—Fe8—Fe6	60.99 (9)	Fe12^xi—C7—Fe8^xvi	138.8 (11)
Fe14^vii—Fe8—Fe9^v	109.85 (11)	Fe12^xi—C7—Fe9^xi	74.1 (6)
Fe14^vii—Fe8—Fe10^xi	60.97 (9)	Fe12^xi—C7—Fe11^xi	83.0 (7)
Fe14^vii—Fe8—Fe13^ix	60.96 (9)	Fe13—C7—Fe4^xvi	83.2 (7)
C1—Fe8—Fe3	46.9 (3)	Fe13—C7—Fe6^xvi	133.2 (10)
C1—Fe8—Fe4	45.8 (3)	Fe13—C7—Fe8^xvi	68.9 (6)
C1—Fe8—Fe5	89.9 (3)	Fe13—C7—Fe9^xi	75.5 (6)
C1—Fe8—Fe5^v	136.2 (3)	Fe13—C7—Fe11^xi	145.5 (11)
C1—Fe8—Fe6^v	94.1 (3)	Fe13—C7—Fe12^xi	87.1 (8)
C1—Fe8—Fe6	47.1 (3)	Fe14^xi—C7—Fe4^xvi	133.6 (10)
C1—Fe8—Fe9^v	106.7 (3)	Fe14^xi—C7—Fe6^xvi	78.2 (7)
C1—Fe8—Fe10^xi	151.5 (3)	Fe14^xi—C7—Fe8^xvi	67.9 (6)
C1—Fe8—Fe13^ix	105.8 (3)	Fe14^xi—C7—Fe9^xi	143.5 (10)
C1—Fe8—Fe14^vii	106.6 (3)	Fe14^xi—C7—Fe11^xi	126.6 (9)
C3^v—Fe8—Fe3	72.8 (4)	Fe14^xi—C7—Fe12^xi	76.3 (7)
C3^v—Fe8—Fe4	108.6 (4)	Fe14^xi—C7—Fe13	82.1 (9)
C3^v—Fe8—Fe5	110.2 (4)	Fe8^xvi—C8—Fe5^xv	61.3 (7)
C3^v—Fe8—Fe5^v	48.6 (4)	Fe13—C8—Fe5^xv	125.1 (16)
C3^v—Fe8—Fe6	131.5 (4)	Fe13—C8—Fe8^xvi	74.6 (11)
C3^v—Fe8—Fe6^v	66.7 (4)	Fe14^xii—C8—Fe5^xv	73.1 (9)
C3^v—Fe8—Fe9^v	51.8 (4)	Fe14—C8—Fe5^xv	126.2 (14)
C3^v—Fe8—Fe10^xi	97.9 (4)	Fe14^xii—C8—Fe8^xvi	123.9 (15)
C3^v—Fe8—Fe13^ix	126.7 (4)	Fe14—C8—Fe8^xvi	120.4 (13)
C3^v—Fe8—Fe14^vii	158.7 (4)	Fe14^xii—C8—Fe13	111.8 (16)
C3^v—Fe8—C1	90.8 (5)	Fe14—C8—Fe13	103.3 (15)
C8^ix—Fe8—C7^ix	77.2 (7)	Fe12—C9—Fe9^xi	119.4 (14)
Fe3^x—Fe9—Fe1^ii	60.30 (8)	Fe12^xii—C9—Fe9^xi	124.5 (12)
Fe4^xiv—Fe9—Fe1^ii	61.58 (9)	Fe13—C9—Fe9^xi	75.1 (9)
Fe4^xiv—Fe9—Fe3^x	93.51 (10)	Fe13—C9—Fe12	107.3 (15)
Fe5^x—Fe9—Fe1^ii	119.63 (12)	Fe13—C9—Fe12^xii	112.1 (15)

Symmetry codes: (i) x−1/2, −y+3/2, −z+1; (ii) x+1/2, −y+3/2, −z+1; (iii) −x+1, −y+2, −z+1; (iv) −x+1/2, y−1/2, z; (v) x−1, y, z; (vi) −x, −y+2, −z+1; (vii) −x+3/2, y+1/2, z; (viii) −x+1/2, y+1/2, z; (ix) −x+1, y+1/2, −z+1/2; (x) x+1, y, z; (xi) x−1/2, y, −z+1/2; (xii) x+1/2, y, −z+1/2; (xiii) −x+2, y+1/2, −z+1/2; (xiv) −x+3/2, y−1/2, z; (xv) −x+2, y−1/2, −z+1/2; (xvi) −x+1, y−1/2, −z+1/2.