Tris(1,10-phenanthroline)cobalt(II) triiodide

The asymmetric unit of the title compound, [Co(C₁₂H₈N₂)₃](I₃)₂, contains one [Co(1,10-phenanthroline)₃]²⁺ cation, half each of two centrosymmetric triiodide anions, and one complete triiodide anion. The title compound was synthesized solvothermally from Co(NO₃)₂, 1,10-phenanthroline, and SnI₂, where the SnI₂ reagent serves only as a source of I atoms.

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.038
• wR factor = 0.087
• Data-to-parameter ratio = 18.3

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PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.45 Ratio

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   0 ALERT type 4 Improvement, methodology, query or suggestion


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Computing details

Data collection: SMART-NT (Bruker, 2001); cell refinement: SAINT-Plus-NT (Bruker, 2001); data reduction: SAINT-Plus-NT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2000); software used to prepare material for publication: SHELXTL.

Tris(1,10-phenanthroline)cobalt(II) triiodide

Crystal data

[Co(C12H8N3)2](I3)2	F(000) = 2508
Mr = 1360.94	Dx = 2.274 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 8858 reflections
a = 10.4187 (5) Å	θ = 2.4–26.4°
b = 29.5648 (13) Å	µ = 5.13 mm^−1
c = 12.9299 (6) Å	T = 150 K
β = 93.395 (1)°	Block, orange–brown
V = 3975.8 (3) Å^3	0.18 × 0.16 × 0.12 mm
Z = 4

Data collection

Bruker SMART APEX CCD diffractometer	8145 independent reflections
Radiation source: fine-focus sealed tube	7152 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.043
ω scans	θmax = 26.4°, θmin = 1.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 2002)	h = −13→12
Tmin = 0.434, Tmax = 0.541	k = −36→37
42790 measured reflections	l = −16→15

Refinement

Refinement on F^2	Primary atom site location: heavy-atom method
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.087	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0368P)^2 + 12.0369P] where P = (Fo^2 + 2Fc^2)/3
8145 reflections	(Δ/σ)max = 0.001
445 parameters	Δρmax = 2.11 e Å^−3
0 restraints	Δρmin = −1.07 e Å^−3

Special details

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

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 > σ(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
I1	0.5000	0.0000	0.5000	0.03241 (12)
I2	0.60337 (3)	0.066011 (14)	0.35642 (3)	0.04186 (11)
I3	0.5000	0.0000	0.0000	0.02921 (11)
I4	0.46163 (4)	0.097640 (13)	0.01318 (3)	0.03863 (10)
I5	0.63081 (4)	0.236240 (14)	0.50756 (4)	0.04850 (12)
I6	0.73946 (4)	0.306377 (12)	0.37887 (3)	0.03377 (10)
I7	0.84558 (4)	0.380029 (15)	0.26496 (3)	0.04668 (12)
Co1	0.13636 (6)	0.13695 (2)	0.41357 (5)	0.02067 (14)
C1	0.2574 (5)	0.05843 (16)	0.2932 (4)	0.0265 (11)
H1	0.3202	0.0569	0.3495	0.032*
C2	0.2711 (5)	0.03031 (18)	0.2081 (4)	0.0301 (12)
H2	0.3419	0.0101	0.2067	0.036*
C3	0.1814 (5)	0.03210 (18)	0.1263 (4)	0.0295 (11)
H3	0.1910	0.0137	0.0670	0.035*
C4	0.0764 (5)	0.06087 (17)	0.1303 (4)	0.0280 (11)
C5	−0.0260 (6)	0.06471 (18)	0.0509 (4)	0.0331 (12)
H5	−0.0211	0.0473	−0.0105	0.040*
C6	−0.1281 (5)	0.09193 (19)	0.0604 (4)	0.0330 (12)
H6	−0.1948	0.0925	0.0070	0.040*
C7	−0.1379 (5)	0.12037 (16)	0.1506 (4)	0.0259 (11)
C8	−0.2384 (5)	0.15063 (19)	0.1641 (4)	0.0321 (12)
H8	−0.3081	0.1526	0.1135	0.038*
C9	−0.2364 (5)	0.17722 (18)	0.2499 (4)	0.0321 (12)
H9	−0.3049	0.1976	0.2602	0.039*
C10	−0.1314 (5)	0.17415 (18)	0.3232 (4)	0.0297 (11)
H10	−0.1304	0.1932	0.3824	0.036*
C11	−0.0367 (5)	0.11900 (16)	0.2283 (4)	0.0224 (10)
C12	0.0688 (5)	0.08831 (16)	0.2189 (4)	0.0224 (10)
C13	0.3192 (6)	0.1791 (2)	0.2528 (4)	0.0374 (13)
H13	0.3318	0.1492	0.2288	0.045*
C14	0.3799 (6)	0.2152 (2)	0.2041 (5)	0.0471 (16)
H14	0.4320	0.2096	0.1476	0.057*
C15	0.3639 (7)	0.2577 (2)	0.2379 (6)	0.0545 (19)
H15	0.4058	0.2821	0.2060	0.065*
C16	0.2855 (6)	0.26609 (19)	0.3204 (5)	0.0437 (15)
C17	0.2613 (8)	0.3100 (2)	0.3621 (7)	0.065 (2)
H17	0.3002	0.3357	0.3328	0.078*
C18	0.1858 (8)	0.3159 (2)	0.4407 (8)	0.069 (2)
H18	0.1692	0.3457	0.4639	0.083*
C19	0.1289 (6)	0.2784 (2)	0.4911 (6)	0.0469 (17)
C20	0.0534 (7)	0.2817 (2)	0.5756 (6)	0.060 (2)
H20	0.0361	0.3106	0.6034	0.072*
C21	0.0035 (6)	0.2440 (3)	0.6194 (6)	0.0537 (19)
H21	−0.0477	0.2466	0.6776	0.064*
C22	0.0289 (5)	0.2018 (2)	0.5775 (5)	0.0381 (13)
H22	−0.0052	0.1755	0.6082	0.046*
C23	0.1490 (5)	0.23458 (17)	0.4531 (4)	0.0299 (12)
C24	0.2276 (5)	0.22863 (18)	0.3661 (4)	0.0320 (12)
C25	0.4092 (5)	0.13782 (18)	0.5317 (4)	0.0285 (11)
H25	0.4356	0.1575	0.4789	0.034*
C26	0.4966 (5)	0.12777 (19)	0.6146 (5)	0.0365 (13)
H26	0.5803	0.1407	0.6173	0.044*
C27	0.4624 (5)	0.09954 (19)	0.6917 (4)	0.0333 (12)
H27	0.5207	0.0930	0.7490	0.040*
C28	0.3390 (5)	0.08039 (17)	0.6844 (4)	0.0291 (11)
C29	0.2947 (6)	0.04861 (19)	0.7579 (4)	0.0365 (13)
H29	0.3491	0.0410	0.8169	0.044*
C30	0.1769 (6)	0.02900 (19)	0.7454 (4)	0.0363 (13)
H30	0.1517	0.0070	0.7939	0.044*
C31	0.0903 (5)	0.04115 (16)	0.6598 (4)	0.0259 (11)
C32	−0.0335 (5)	0.02306 (17)	0.6431 (4)	0.0305 (12)
H32	−0.0631	0.0009	0.6892	0.037*
C33	−0.1115 (5)	0.03701 (18)	0.5613 (4)	0.0320 (12)
H33	−0.1949	0.0244	0.5493	0.038*
C34	−0.0669 (5)	0.07035 (17)	0.4951 (4)	0.0266 (11)
H34	−0.1219	0.0803	0.4384	0.032*
C35	0.1281 (5)	0.07360 (16)	0.5896 (4)	0.0226 (10)
C36	0.2555 (4)	0.09242 (15)	0.5997 (4)	0.0200 (10)
N1	0.1605 (4)	0.08727 (13)	0.2991 (3)	0.0213 (8)
N2	−0.0341 (4)	0.14611 (13)	0.3136 (3)	0.0225 (9)
N3	0.2443 (4)	0.18585 (14)	0.3315 (3)	0.0268 (9)
N4	0.0994 (4)	0.19712 (14)	0.4957 (3)	0.0278 (10)
N5	0.2903 (4)	0.12105 (13)	0.5234 (3)	0.0227 (9)
N6	0.0499 (4)	0.08849 (13)	0.5087 (3)	0.0224 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I1	0.0220 (2)	0.0368 (3)	0.0379 (3)	0.00325 (19)	−0.0027 (2)	0.0001 (2)
I2	0.02445 (19)	0.0527 (2)	0.0482 (2)	−0.00255 (16)	−0.00005 (16)	0.01051 (19)
I3	0.0269 (2)	0.0388 (3)	0.0218 (2)	0.0070 (2)	0.00054 (18)	0.00394 (19)
I4	0.0423 (2)	0.0338 (2)	0.0394 (2)	−0.00110 (16)	−0.00053 (17)	0.00083 (16)
I5	0.0554 (3)	0.0382 (2)	0.0544 (3)	−0.01558 (19)	0.0245 (2)	−0.00647 (18)
I6	0.0340 (2)	0.03485 (19)	0.0330 (2)	−0.00418 (15)	0.00724 (15)	−0.00591 (15)
I7	0.0548 (3)	0.0514 (2)	0.0347 (2)	−0.0111 (2)	0.01046 (18)	0.00514 (18)
Co1	0.0219 (3)	0.0207 (3)	0.0194 (3)	−0.0023 (3)	0.0006 (3)	0.0007 (3)
C1	0.023 (3)	0.023 (2)	0.033 (3)	0.000 (2)	0.003 (2)	0.002 (2)
C2	0.023 (3)	0.031 (3)	0.037 (3)	0.001 (2)	0.010 (2)	−0.005 (2)
C3	0.029 (3)	0.034 (3)	0.026 (3)	−0.004 (2)	0.011 (2)	−0.007 (2)
C4	0.032 (3)	0.026 (3)	0.026 (3)	−0.009 (2)	0.002 (2)	0.001 (2)
C5	0.043 (3)	0.032 (3)	0.023 (3)	−0.007 (2)	−0.002 (2)	−0.004 (2)
C6	0.034 (3)	0.040 (3)	0.024 (3)	−0.006 (2)	−0.009 (2)	0.004 (2)
C7	0.029 (3)	0.023 (2)	0.025 (3)	−0.001 (2)	−0.002 (2)	0.003 (2)
C8	0.027 (3)	0.040 (3)	0.029 (3)	0.002 (2)	−0.008 (2)	0.007 (2)
C9	0.030 (3)	0.029 (3)	0.037 (3)	0.008 (2)	0.002 (2)	0.001 (2)
C10	0.026 (3)	0.031 (3)	0.033 (3)	0.004 (2)	0.005 (2)	0.000 (2)
C11	0.025 (3)	0.020 (2)	0.022 (2)	−0.0039 (19)	0.0029 (19)	0.0057 (19)
C12	0.026 (3)	0.022 (2)	0.019 (2)	−0.0072 (19)	0.0034 (19)	0.0037 (19)
C13	0.040 (3)	0.041 (3)	0.031 (3)	−0.014 (3)	0.006 (3)	0.004 (2)
C14	0.046 (4)	0.057 (4)	0.039 (4)	−0.017 (3)	0.010 (3)	0.005 (3)
C15	0.056 (4)	0.054 (4)	0.054 (4)	−0.029 (3)	−0.001 (3)	0.020 (3)
C16	0.048 (4)	0.029 (3)	0.052 (4)	−0.012 (3)	−0.009 (3)	0.005 (3)
C17	0.075 (6)	0.029 (3)	0.090 (6)	−0.020 (3)	−0.006 (5)	0.009 (4)
C18	0.079 (6)	0.020 (3)	0.107 (7)	−0.004 (3)	−0.013 (5)	−0.013 (4)
C19	0.045 (4)	0.031 (3)	0.063 (4)	0.005 (3)	−0.017 (3)	−0.018 (3)
C20	0.054 (4)	0.046 (4)	0.079 (5)	0.009 (3)	−0.004 (4)	−0.035 (4)
C21	0.042 (4)	0.067 (5)	0.053 (4)	0.016 (3)	0.008 (3)	−0.032 (4)
C22	0.030 (3)	0.048 (3)	0.036 (3)	−0.001 (3)	0.003 (2)	−0.009 (3)
C23	0.029 (3)	0.027 (3)	0.032 (3)	0.004 (2)	−0.010 (2)	−0.004 (2)
C24	0.028 (3)	0.030 (3)	0.036 (3)	−0.005 (2)	−0.006 (2)	0.004 (2)
C25	0.023 (3)	0.032 (3)	0.030 (3)	−0.006 (2)	−0.001 (2)	0.002 (2)
C26	0.028 (3)	0.037 (3)	0.043 (3)	−0.001 (2)	−0.005 (2)	−0.004 (3)
C27	0.031 (3)	0.039 (3)	0.029 (3)	0.004 (2)	−0.012 (2)	−0.006 (2)
C28	0.032 (3)	0.025 (3)	0.030 (3)	−0.001 (2)	−0.005 (2)	−0.003 (2)
C29	0.045 (3)	0.038 (3)	0.026 (3)	0.004 (3)	−0.007 (2)	0.006 (2)
C30	0.046 (3)	0.030 (3)	0.032 (3)	−0.001 (2)	0.001 (3)	0.013 (2)
C31	0.033 (3)	0.024 (2)	0.022 (3)	0.006 (2)	0.007 (2)	0.002 (2)
C32	0.035 (3)	0.026 (3)	0.032 (3)	−0.005 (2)	0.010 (2)	0.004 (2)
C33	0.028 (3)	0.033 (3)	0.035 (3)	−0.007 (2)	0.005 (2)	0.001 (2)
C34	0.023 (3)	0.032 (3)	0.025 (3)	−0.003 (2)	−0.001 (2)	0.001 (2)
C35	0.028 (3)	0.020 (2)	0.019 (2)	0.0035 (19)	0.000 (2)	−0.0048 (19)
C36	0.022 (2)	0.018 (2)	0.020 (2)	0.0003 (18)	0.0020 (19)	−0.0032 (18)
N1	0.022 (2)	0.021 (2)	0.021 (2)	−0.0040 (16)	−0.0010 (16)	0.0048 (16)
N2	0.024 (2)	0.021 (2)	0.022 (2)	−0.0003 (16)	0.0002 (17)	0.0025 (16)
N3	0.028 (2)	0.028 (2)	0.024 (2)	−0.0050 (18)	−0.0004 (18)	0.0037 (17)
N4	0.026 (2)	0.029 (2)	0.029 (2)	0.0014 (18)	−0.0022 (18)	−0.0067 (18)
N5	0.024 (2)	0.021 (2)	0.022 (2)	−0.0007 (16)	−0.0006 (17)	−0.0012 (16)
N6	0.021 (2)	0.022 (2)	0.024 (2)	−0.0042 (16)	0.0038 (16)	0.0016 (16)

Geometric parameters (Å, º)

I1—I2^i	2.9414 (4)	C15—H15	0.9500
I1—I2	2.9414 (4)	C16—C24	1.408 (8)
I3—I4	2.9206 (4)	C16—C17	1.435 (10)
I3—I4^ii	2.9206 (4)	C17—C18	1.333 (12)
I5—I6	2.9280 (5)	C17—H17	0.9500
I6—I7	2.8855 (5)	C18—C19	1.433 (11)
Co1—N1	2.111 (4)	C18—H18	0.9500
Co1—N4	2.118 (4)	C19—C20	1.386 (10)
Co1—N6	2.123 (4)	C19—C23	1.405 (8)
Co1—N5	2.131 (4)	C20—C21	1.366 (11)
Co1—N3	2.150 (4)	C20—H20	0.9500
Co1—N2	2.151 (4)	C21—C22	1.394 (8)
C1—N1	1.327 (6)	C21—H21	0.9500
C1—C2	1.394 (7)	C22—N4	1.330 (7)
C1—H1	0.9500	C22—H22	0.9500
C2—C3	1.370 (8)	C23—N4	1.353 (7)
C2—H2	0.9500	C23—C24	1.441 (8)
C3—C4	1.390 (7)	C24—N3	1.356 (7)
C3—H3	0.9500	C25—N5	1.332 (6)
C4—C12	1.410 (7)	C25—C26	1.397 (7)
C4—C5	1.440 (8)	C25—H25	0.9500
C5—C6	1.346 (8)	C26—C27	1.363 (8)
C5—H5	0.9500	C26—H26	0.9500
C6—C7	1.446 (7)	C27—C28	1.403 (7)
C6—H6	0.9500	C27—H27	0.9500
C7—C8	1.396 (7)	C28—C36	1.404 (7)
C7—C11	1.414 (7)	C28—C29	1.432 (8)
C8—C9	1.358 (8)	C29—C30	1.358 (8)
C8—H8	0.9500	C29—H29	0.9500
C9—C10	1.407 (8)	C30—C31	1.432 (7)
C9—H9	0.9500	C30—H30	0.9500
C10—N2	1.321 (6)	C31—C35	1.393 (7)
C10—H10	0.9500	C31—C32	1.401 (7)
C11—N2	1.362 (6)	C32—C33	1.359 (8)
C11—C12	1.436 (7)	C32—H32	0.9500
C12—N1	1.368 (6)	C33—C34	1.404 (7)
C13—N3	1.334 (7)	C33—H33	0.9500
C13—C14	1.408 (8)	C34—N6	1.331 (6)
C13—H13	0.9500	C34—H34	0.9500
C14—C15	1.343 (10)	C35—N6	1.362 (6)
C14—H14	0.9500	C35—C36	1.437 (7)
C15—C16	1.403 (10)	C36—N5	1.366 (6)
I2^i—I1—I2	180.0	C20—C19—C23	116.4 (6)
I4—I3—I4^ii	180.0	C20—C19—C18	124.9 (6)
I7—I6—I5	175.733 (18)	C23—C19—C18	118.7 (7)
N1—Co1—N4	165.56 (16)	C21—C20—C19	121.1 (6)
N1—Co1—N6	90.52 (15)	C21—C20—H20	119.4
N4—Co1—N6	100.39 (16)	C19—C20—H20	119.4
N1—Co1—N5	101.39 (15)	C20—C21—C22	118.9 (6)
N4—Co1—N5	90.19 (16)	C20—C21—H21	120.5
N6—Co1—N5	78.09 (15)	C22—C21—H21	120.5
N1—Co1—N3	91.96 (16)	N4—C22—C21	121.9 (6)
N4—Co1—N3	78.38 (17)	N4—C22—H22	119.1
N6—Co1—N3	172.73 (16)	C21—C22—H22	119.1
N5—Co1—N3	94.72 (16)	N4—C23—C19	122.9 (6)
N1—Co1—N2	78.16 (15)	N4—C23—C24	117.8 (5)
N4—Co1—N2	91.56 (16)	C19—C23—C24	119.3 (5)
N6—Co1—N2	93.97 (15)	N3—C24—C16	121.9 (5)
N5—Co1—N2	172.05 (15)	N3—C24—C23	117.5 (5)
N3—Co1—N2	93.23 (15)	C16—C24—C23	120.6 (5)
N1—C1—C2	122.8 (5)	N5—C25—C26	122.9 (5)
N1—C1—H1	118.6	N5—C25—H25	118.5
C2—C1—H1	118.6	C26—C25—H25	118.5
C3—C2—C1	119.3 (5)	C27—C26—C25	120.2 (5)
C3—C2—H2	120.3	C27—C26—H26	119.9
C1—C2—H2	120.3	C25—C26—H26	119.9
C2—C3—C4	119.8 (5)	C26—C27—C28	118.5 (5)
C2—C3—H3	120.1	C26—C27—H27	120.8
C4—C3—H3	120.1	C28—C27—H27	120.8
C3—C4—C12	117.7 (5)	C27—C28—C36	118.3 (5)
C3—C4—C5	125.0 (5)	C27—C28—C29	123.4 (5)
C12—C4—C5	117.3 (5)	C36—C28—C29	118.3 (5)
C6—C5—C4	122.6 (5)	C30—C29—C28	121.7 (5)
C6—C5—H5	118.7	C30—C29—H29	119.1
C4—C5—H5	118.7	C28—C29—H29	119.1
C5—C6—C7	121.0 (5)	C29—C30—C31	120.5 (5)
C5—C6—H6	119.5	C29—C30—H30	119.7
C7—C6—H6	119.5	C31—C30—H30	119.7
C8—C7—C11	117.5 (5)	C35—C31—C32	117.1 (5)
C8—C7—C6	124.3 (5)	C35—C31—C30	119.1 (5)
C11—C7—C6	118.2 (5)	C32—C31—C30	123.7 (5)
C9—C8—C7	119.9 (5)	C33—C32—C31	120.4 (5)
C9—C8—H8	120.1	C33—C32—H32	119.8
C7—C8—H8	120.1	C31—C32—H32	119.8
C8—C9—C10	119.1 (5)	C32—C33—C34	118.9 (5)
C8—C9—H9	120.4	C32—C33—H33	120.5
C10—C9—H9	120.4	C34—C33—H33	120.5
N2—C10—C9	123.2 (5)	N6—C34—C33	122.4 (5)
N2—C10—H10	118.4	N6—C34—H34	118.8
C9—C10—H10	118.4	C33—C34—H34	118.8
N2—C11—C7	122.5 (4)	N6—C35—C31	122.9 (5)
N2—C11—C12	117.5 (4)	N6—C35—C36	116.9 (4)
C7—C11—C12	120.0 (4)	C31—C35—C36	120.2 (4)
N1—C12—C4	122.2 (5)	N5—C36—C28	122.8 (4)
N1—C12—C11	117.0 (4)	N5—C36—C35	117.3 (4)
C4—C12—C11	120.8 (5)	C28—C36—C35	119.9 (4)
N3—C13—C14	121.8 (6)	C1—N1—C12	118.1 (4)
N3—C13—H13	119.1	C1—N1—Co1	127.6 (3)
C14—C13—H13	119.1	C12—N1—Co1	114.1 (3)
C15—C14—C13	119.7 (6)	C10—N2—C11	117.8 (4)
C15—C14—H14	120.2	C10—N2—Co1	129.3 (4)
C13—C14—H14	120.2	C11—N2—Co1	112.8 (3)
C14—C15—C16	120.2 (6)	C13—N3—C24	118.9 (5)
C14—C15—H15	119.9	C13—N3—Co1	128.6 (4)
C16—C15—H15	119.9	C24—N3—Co1	112.5 (3)
C15—C16—C24	117.6 (6)	C22—N4—C23	118.8 (5)
C15—C16—C17	124.7 (6)	C22—N4—Co1	127.6 (4)
C24—C16—C17	117.7 (7)	C23—N4—Co1	113.5 (3)
C18—C17—C16	121.9 (7)	C25—N5—C36	117.3 (4)
C18—C17—H17	119.0	C25—N5—Co1	129.1 (3)
C16—C17—H17	119.0	C36—N5—Co1	113.4 (3)
C17—C18—C19	121.7 (6)	C34—N6—C35	118.2 (4)
C17—C18—H18	119.1	C34—N6—Co1	127.7 (3)
C19—C18—H18	119.1	C35—N6—Co1	114.1 (3)
N1—C1—C2—C3	0.0 (8)	N4—Co1—N1—C12	−39.9 (8)
C1—C2—C3—C4	−1.8 (8)	N6—Co1—N1—C12	99.4 (3)
C2—C3—C4—C12	1.8 (7)	N5—Co1—N1—C12	177.3 (3)
C2—C3—C4—C5	−178.0 (5)	N3—Co1—N1—C12	−87.5 (3)
C3—C4—C5—C6	177.5 (5)	N2—Co1—N1—C12	5.4 (3)
C12—C4—C5—C6	−2.3 (8)	C9—C10—N2—C11	0.0 (7)
C4—C5—C6—C7	2.3 (8)	C9—C10—N2—Co1	178.5 (4)
C5—C6—C7—C8	177.6 (5)	C7—C11—N2—C10	0.7 (7)
C5—C6—C7—C11	0.4 (8)	C12—C11—N2—C10	−179.5 (4)
C11—C7—C8—C9	−0.2 (8)	C7—C11—N2—Co1	−178.1 (4)
C6—C7—C8—C9	−177.4 (5)	C12—C11—N2—Co1	1.8 (5)
C7—C8—C9—C10	0.8 (8)	N1—Co1—N2—C10	177.6 (4)
C8—C9—C10—N2	−0.8 (8)	N4—Co1—N2—C10	−12.7 (4)
C8—C7—C11—N2	−0.7 (7)	N6—Co1—N2—C10	87.9 (4)
C6—C7—C11—N2	176.7 (4)	N3—Co1—N2—C10	−91.1 (4)
C8—C7—C11—C12	179.5 (4)	N1—Co1—N2—C11	−3.8 (3)
C6—C7—C11—C12	−3.1 (7)	N4—Co1—N2—C11	166.0 (3)
C3—C4—C12—N1	0.0 (7)	N6—Co1—N2—C11	−93.5 (3)
C5—C4—C12—N1	179.8 (4)	N3—Co1—N2—C11	87.5 (3)
C3—C4—C12—C11	179.7 (4)	C14—C13—N3—C24	−0.7 (8)
C5—C4—C12—C11	−0.5 (7)	C14—C13—N3—Co1	177.4 (4)
N2—C11—C12—N1	3.0 (6)	C16—C24—N3—C13	0.9 (8)
C7—C11—C12—N1	−177.2 (4)	C23—C24—N3—C13	−178.3 (5)
N2—C11—C12—C4	−176.7 (4)	C16—C24—N3—Co1	−177.5 (4)
C7—C11—C12—C4	3.1 (7)	C23—C24—N3—Co1	3.3 (6)
C14—C15—C16—C17	−179.6 (7)	N1—Co1—N3—C13	−13.5 (5)
C15—C16—C17—C18	−180.0 (8)	N4—Co1—N3—C13	177.3 (5)
C16—C17—C18—C19	2.8 (13)	N5—Co1—N3—C13	88.1 (5)
C17—C18—C19—C20	177.5 (8)	N2—Co1—N3—C13	−91.8 (5)
C18—C19—C20—C21	−179.6 (7)	N1—Co1—N3—C24	164.6 (4)
C20—C19—C23—N4	−0.6 (9)	N4—Co1—N3—C24	−4.6 (3)
C18—C19—C23—N4	179.9 (6)	N5—Co1—N3—C24	−93.8 (4)
C20—C19—C23—C24	−179.4 (6)	N2—Co1—N3—C24	86.4 (4)
C18—C19—C23—C24	1.1 (9)	C21—C22—N4—C23	0.8 (8)
C15—C16—C24—N3	−1.1 (9)	C21—C22—N4—Co1	−174.7 (4)
C17—C16—C24—N3	179.6 (6)	C19—C23—N4—C22	−0.3 (8)
C15—C16—C24—C23	178.1 (6)	C24—C23—N4—C22	178.6 (5)
C17—C16—C24—C23	−1.2 (9)	C19—C23—N4—Co1	175.9 (4)
N4—C23—C24—N3	1.3 (7)	C24—C23—N4—Co1	−5.3 (6)
C19—C23—C24—N3	−179.8 (5)	N1—Co1—N4—C22	132.2 (6)
N4—C23—C24—C16	−177.9 (5)	N6—Co1—N4—C22	−6.3 (5)
C19—C23—C24—C16	1.0 (8)	N5—Co1—N4—C22	−84.2 (5)
N5—C25—C26—C27	0.3 (9)	N3—Co1—N4—C22	−179.0 (5)
C25—C26—C27—C28	1.2 (8)	N2—Co1—N4—C22	88.0 (5)
C26—C27—C28—C36	−2.0 (8)	N1—Co1—N4—C23	−43.5 (8)
C26—C27—C28—C29	176.8 (5)	N6—Co1—N4—C23	178.0 (3)
C27—C28—C29—C30	−176.5 (6)	N5—Co1—N4—C23	100.0 (4)
C36—C28—C29—C30	2.3 (8)	N3—Co1—N4—C23	5.3 (3)
C28—C29—C30—C31	−2.7 (9)	N2—Co1—N4—C23	−87.7 (4)
C29—C30—C31—C35	−0.4 (8)	C26—C25—N5—C36	−0.8 (7)
C29—C30—C31—C32	−178.7 (5)	C26—C25—N5—Co1	173.0 (4)
C35—C31—C32—C33	0.1 (8)	C28—C36—N5—C25	−0.1 (7)
C30—C31—C32—C33	178.4 (5)	C35—C36—N5—C25	−178.8 (4)
C31—C32—C33—C34	−1.1 (8)	C28—C36—N5—Co1	−174.8 (4)
C32—C33—C34—N6	0.8 (8)	C35—C36—N5—Co1	6.5 (5)
C32—C31—C35—N6	1.2 (7)	N1—Co1—N5—C25	93.2 (4)
C30—C31—C35—N6	−177.2 (5)	N4—Co1—N5—C25	−78.1 (4)
C32—C31—C35—C36	−177.7 (4)	N6—Co1—N5—C25	−178.7 (5)
C30—C31—C35—C36	3.9 (7)	N3—Co1—N5—C25	0.2 (4)
C27—C28—C36—N5	1.5 (7)	N1—Co1—N5—C36	−92.9 (3)
C29—C28—C36—N5	−177.4 (5)	N4—Co1—N5—C36	95.8 (3)
C27—C28—C36—C35	−179.9 (5)	N6—Co1—N5—C36	−4.8 (3)
C29—C28—C36—C35	1.3 (7)	N3—Co1—N5—C36	174.2 (3)
N6—C35—C36—N5	−4.6 (6)	C33—C34—N6—C35	0.5 (7)
C31—C35—C36—N5	174.4 (4)	C33—C34—N6—Co1	177.2 (4)
N6—C35—C36—C28	176.7 (4)	C31—C35—N6—C34	−1.6 (7)
C31—C35—C36—C28	−4.3 (7)	C36—C35—N6—C34	177.4 (4)
C2—C1—N1—C12	1.8 (7)	C31—C35—N6—Co1	−178.7 (4)
C2—C1—N1—Co1	−172.6 (4)	C36—C35—N6—Co1	0.3 (5)
C4—C12—N1—C1	−1.8 (7)	N1—Co1—N6—C34	−72.9 (4)
C11—C12—N1—C1	178.5 (4)	N4—Co1—N6—C34	97.6 (4)
C4—C12—N1—Co1	173.4 (4)	N5—Co1—N6—C34	−174.5 (4)
C11—C12—N1—Co1	−6.3 (5)	N2—Co1—N6—C34	5.2 (4)
N4—Co1—N1—C1	134.7 (6)	N1—Co1—N6—C35	103.9 (3)
N6—Co1—N1—C1	−86.0 (4)	N4—Co1—N6—C35	−85.6 (3)
N5—Co1—N1—C1	−8.0 (4)	N5—Co1—N6—C35	2.4 (3)
N3—Co1—N1—C1	87.2 (4)	N2—Co1—N6—C35	−177.9 (3)
N2—Co1—N1—C1	−179.9 (4)

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