trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ⁴N]cobalt(III) diperchlorate

The racemic title compound, trans-[N,N-bis(2-amino­ethyl)-1,2-ethanediamine-κ⁴N]­(DL-isoleucinato-N,O)­cobalt(III) di­per­chlor­ate, [Co(C₆H₁₈N₄)(C₆H₁₂NO₂)](ClO₄)₂, crystallizes in the enantiomorphous space group P2₁2₁2₁ with Z = 12 (Z′ = 3). Each of the three cations in the asymmetric unit represents a different chirality of the isoleucine ligand; two of them are R (or D) and the third is the S (or L) enantiomer. The mixture crystallizes in a so-called unbalanced crystallization, in which the cations adopt a chiral array of composition RRS or SSR, depending on the crystal selected for data collection.

Computing details

Data collection: SMART-NT (Bruker, 1998); cell refinement: SMART-NT; data reduction: SAINT+ (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ⁴N]cobalt(III) diperchlorate

Crystal data

[Co(C6H18N4)(C6H12NO2)]·2ClO4	Dx = 1.639 Mg m^−3
Mr = 534.24	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P212121	Cell parameters from 989 reflections
a = 9.4330 (12) Å	θ = 3.8–26.4°
b = 25.266 (3) Å	µ = 1.10 mm^−1
c = 27.258 (4) Å	T = 293 K
V = 6496.4 (14) Å^3	Plate, orange
Z = 12	0.24 × 0.12 × 0.05 mm
F(000) = 3336

Data collection

Bruker SMART CCD area-detector diffractometer	13232 independent reflections
Radiation source: fine-focus sealed tube	10595 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.033
φ and ω scans	θmax = 26.4°, θmin = 3.8°
Absorption correction: multi-scan (Blessing, 1995)	h = −11→11
Tmin = 0.779, Tmax = 0.947	k = −24→31
36842 measured reflections	l = −33→34

Refinement

Refinement on F^2	H-atom parameters constrained
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0652P)^2 + 0.2357P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.046	(Δ/σ)max = 0.042
wR(F^2) = 0.125	Δρmax = 0.72 e Å^−3
S = 1.00	Δρmin = −0.47 e Å^−3
13232 reflections	Absolute structure: Flack (1983)
811 parameters	Absolute structure parameter: 0.005 (13)
3 restraints

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.86669 (6)	0.82265 (2)	0.921964 (19)	0.02834 (13)
Co2	0.95565 (6)	0.33946 (2)	0.227477 (18)	0.02717 (13)
Co3	0.36450 (6)	0.11311 (2)	0.051268 (19)	0.03008 (13)
Cl1	0.86572 (14)	0.76049 (5)	0.11297 (4)	0.0475 (3)
Cl2	0.95511 (16)	0.54194 (5)	0.06815 (5)	0.0584 (3)
Cl3	0.41576 (19)	0.50652 (8)	0.24666 (7)	0.0767 (5)
Cl4	0.40763 (16)	0.25784 (7)	0.19845 (8)	0.0750 (5)
Cl5	−0.00439 (15)	0.23967 (5)	0.07591 (5)	0.0491 (3)
Cl6	0.00074 (15)	0.01626 (5)	0.09655 (5)	0.0516 (3)
C1	0.9783 (6)	0.9093 (2)	0.96918 (18)	0.0519 (14)
H1A	1.0534	0.8891	0.9847	0.062*
H1B	1.0047	0.9464	0.9698	0.062*
C2	0.8431 (7)	0.9015 (2)	0.99633 (19)	0.0574 (15)
H2A	0.8603	0.9033	1.0314	0.069*
H2B	0.7763	0.9291	0.9877	0.069*
C3	1.0989 (6)	0.8828 (2)	0.8929 (2)	0.0581 (14)
H3A	1.1642	0.8657	0.9154	0.070*
H3B	1.1393	0.9164	0.8830	0.070*
C4	1.0761 (6)	0.8486 (2)	0.8489 (2)	0.0559 (14)
H4A	1.1661	0.8353	0.8369	0.067*
H4B	1.0315	0.8688	0.8229	0.067*
C5	0.8682 (7)	0.92891 (18)	0.88971 (18)	0.0479 (12)
H5A	0.9273	0.9525	0.8704	0.057*
H5B	0.8147	0.9503	0.9127	0.057*
C6	0.7665 (6)	0.90005 (19)	0.85602 (19)	0.0483 (12)
H6A	0.6871	0.9227	0.8478	0.058*
H6B	0.8142	0.8900	0.8259	0.058*
C7	0.9878 (5)	0.74386 (18)	0.97586 (15)	0.0351 (10)
C8	0.8527 (5)	0.71627 (18)	0.95814 (17)	0.0413 (10)
H8A	0.7933	0.7098	0.9870	0.050*
C9	0.8836 (5)	0.66266 (18)	0.93467 (16)	0.0415 (11)
H9A	0.9383	0.6418	0.9584	0.050*
C10	0.9745 (7)	0.6685 (2)	0.8883 (2)	0.0587 (14)
H10A	0.9188	0.6863	0.8633	0.070*
H10B	1.0552	0.6909	0.8958	0.070*
C11	1.0281 (9)	0.6163 (3)	0.8676 (3)	0.092 (2)
H11A	1.0800	0.6228	0.8379	0.138*
H11B	0.9491	0.5935	0.8608	0.138*
H11C	1.0892	0.5996	0.8912	0.138*
C12	0.7447 (7)	0.6334 (3)	0.9253 (3)	0.0763 (19)
H12A	0.7644	0.5997	0.9105	0.115*
H12B	0.6863	0.6540	0.9037	0.115*
H12C	0.6960	0.6281	0.9558	0.115*
C13	0.7526 (6)	0.4157 (2)	0.2435 (2)	0.0504 (13)
H13A	0.7226	0.4525	0.2434	0.060*
H13B	0.7164	0.3990	0.2730	0.060*
C14	0.6965 (6)	0.3873 (2)	0.1980 (2)	0.0621 (16)
H14A	0.5978	0.3779	0.2028	0.074*
H14B	0.7024	0.4107	0.1698	0.074*
C17	0.9672 (7)	0.4477 (2)	0.2027 (2)	0.0644 (16)
H17A	0.8945	0.4541	0.1783	0.077*
H17B	0.9934	0.4815	0.2170	0.077*
C18	1.0942 (7)	0.4238 (2)	0.1784 (2)	0.0555 (15)
H18A	1.1096	0.4400	0.1466	0.067*
H18B	1.1781	0.4294	0.1983	0.067*
C19	0.8477 (5)	0.26222 (18)	0.28620 (15)	0.0371 (10)
C20	0.9664 (5)	0.23295 (18)	0.25969 (15)	0.0384 (10)
H20A	1.0497	0.2346	0.2811	0.046*
C21	0.9375 (5)	0.17403 (18)	0.25020 (17)	0.0420 (11)
H21A	0.9113	0.1586	0.2819	0.050*
C22	1.0745 (7)	0.1460 (2)	0.2340 (3)	0.0705 (18)
H22A	1.0873	0.1516	0.1991	0.085*
H22B	1.1541	0.1623	0.2507	0.085*
C23	1.0775 (10)	0.0883 (3)	0.2438 (4)	0.137 (5)
H23A	1.1659	0.0738	0.2326	0.205*
H23B	1.0008	0.0715	0.2267	0.205*
H23C	1.0677	0.0822	0.2784	0.205*
C24	0.8137 (8)	0.1651 (3)	0.2166 (3)	0.085 (2)
H24A	0.7326	0.1839	0.2288	0.127*
H24B	0.7927	0.1280	0.2151	0.127*
H24C	0.8367	0.1778	0.1843	0.127*
C25	0.6120 (6)	0.0554 (3)	0.0574 (2)	0.0751 (19)
H25A	0.6980	0.0455	0.0746	0.090*
H25B	0.6344	0.0597	0.0229	0.090*
C26	0.4998 (7)	0.0126 (3)	0.0639 (2)	0.0725 (19)
H26A	0.5226	−0.0179	0.0438	0.087*
H26B	0.4956	0.0014	0.0979	0.087*
C27	0.6355 (6)	0.1522 (3)	0.05980 (19)	0.0624 (16)
H27A	0.6561	0.1482	0.0251	0.075*
H27B	0.7246	0.1551	0.0773	0.075*
C28	0.5487 (7)	0.2005 (3)	0.0680 (2)	0.0694 (19)
H28A	0.5880	0.2299	0.0496	0.083*
H28B	0.5493	0.2098	0.1025	0.083*
C29	0.5482 (6)	0.1053 (3)	0.13413 (19)	0.0645 (17)
H29A	0.6148	0.0794	0.1468	0.077*
H29B	0.5757	0.1398	0.1466	0.077*
C30	0.4018 (6)	0.0922 (3)	0.15192 (19)	0.0663 (17)
H30A	0.3901	0.0541	0.1533	0.080*
H30B	0.3884	0.1062	0.1847	0.080*
C31	0.3391 (5)	0.12224 (17)	−0.04823 (15)	0.0339 (10)
C32	0.1892 (5)	0.13625 (17)	−0.02980 (15)	0.0320 (9)
H32A	0.1832	0.1750	−0.0291	0.038*
C33	0.0695 (5)	0.11684 (18)	−0.06341 (14)	0.0367 (10)
H33A	0.0829	0.1341	−0.0953	0.044*
C34	−0.0745 (5)	0.1346 (3)	−0.0439 (2)	0.0584 (15)
H34A	−0.0925	0.1170	−0.0129	0.070*
H34B	−0.0713	0.1724	−0.0376	0.070*
C35	−0.1954 (7)	0.1231 (4)	−0.0786 (3)	0.095 (3)
H35A	−0.2827	0.1353	−0.0644	0.143*
H35B	−0.2012	0.0856	−0.0842	0.143*
H35C	−0.1794	0.1410	−0.1091	0.143*
C36	0.0750 (7)	0.0578 (2)	−0.0722 (2)	0.0567 (14)
H36A	−0.0011	0.0477	−0.0936	0.085*
H36B	0.0655	0.0395	−0.0415	0.085*
H36C	0.1640	0.0487	−0.0870	0.085*
N1	0.9601 (4)	0.89139 (15)	0.91734 (14)	0.0400 (9)
N2	0.7835 (4)	0.84895 (14)	0.98342 (13)	0.0394 (9)
H2C	0.6889	0.8516	0.9800	0.047*
H2D	0.8015	0.8258	1.0078	0.047*
N3	0.9825 (4)	0.80359 (15)	0.86389 (14)	0.0384 (9)
H3C	1.0363	0.7752	0.8710	0.046*
H3D	0.9249	0.7949	0.8388	0.046*
N4	0.7162 (4)	0.85241 (14)	0.88236 (13)	0.0363 (8)
H4C	0.6862	0.8281	0.8605	0.044*
H4D	0.6425	0.8611	0.9017	0.044*
N5	0.7748 (4)	0.75365 (13)	0.92577 (13)	0.0338 (8)
H5C	0.6860	0.7578	0.9372	0.041*
H5D	0.7688	0.7397	0.8954	0.041*
N6	0.9081 (4)	0.41240 (15)	0.24223 (13)	0.0383 (9)
N7	0.7806 (4)	0.33913 (15)	0.18872 (13)	0.0371 (8)
H7A	0.8022	0.3372	0.1566	0.045*
H7B	0.7288	0.3104	0.1965	0.045*
N8	1.1141 (4)	0.34843 (16)	0.27369 (14)	0.0453 (9)
H8B	1.1074	0.3239	0.2975	0.054*
H8C	1.1964	0.3432	0.2577	0.054*
N9	1.0669 (4)	0.36678 (14)	0.17270 (13)	0.0352 (8)
H9B	1.1499	0.3493	0.1711	0.042*
H9C	1.0198	0.3611	0.1445	0.042*
N10	1.0009 (4)	0.26477 (13)	0.21540 (12)	0.0342 (8)
H10C	0.9505	0.2529	0.1896	0.041*
H10D	1.0936	0.2614	0.2082	0.041*
N11	0.5555 (4)	0.10580 (19)	0.07762 (15)	0.0504 (11)
N12	0.3618 (5)	0.03546 (15)	0.04860 (16)	0.0507 (10)
H12D	0.2929	0.0232	0.0684	0.061*
H12E	0.3420	0.0250	0.0178	0.061*
N13	0.4001 (4)	0.18992 (16)	0.05149 (15)	0.0448 (10)
H13C	0.3872	0.2031	0.0211	0.054*
H13D	0.3386	0.2060	0.0718	0.054*
N14	0.2972 (5)	0.11469 (17)	0.11918 (12)	0.0430 (9)
H14C	0.2794	0.1484	0.1280	0.052*
H14D	0.2159	0.0963	0.1215	0.052*
N15	0.1770 (4)	0.11816 (15)	0.02141 (11)	0.0317 (8)
H15E	0.1344	0.0863	0.0222	0.038*
H15F	0.1233	0.1411	0.0385	0.038*
O1	1.0087 (3)	0.79204 (12)	0.96235 (12)	0.0408 (8)
O2	1.0638 (4)	0.72004 (14)	1.00467 (12)	0.0506 (9)
O3	0.8412 (3)	0.31199 (11)	0.27908 (10)	0.0368 (7)
O4	0.7691 (4)	0.23810 (13)	0.31537 (11)	0.0449 (8)
O5	0.4302 (3)	0.11244 (13)	−0.01475 (10)	0.0368 (7)
O6	0.3649 (4)	0.12278 (13)	−0.09249 (10)	0.0439 (8)
O7	0.9492 (9)	0.7162 (3)	0.1165 (2)	0.158 (3)
O8	0.7716 (5)	0.7653 (2)	0.15368 (14)	0.0770 (13)
O9	0.7931 (7)	0.7610 (4)	0.07151 (19)	0.179 (4)
O10	0.9580 (11)	0.8011 (4)	0.1160 (4)	0.231 (6)
O11	1.0651 (7)	0.5057 (2)	0.0602 (3)	0.128 (2)
O12	0.9267 (8)	0.5437 (3)	0.11890 (19)	0.128 (2)
O13	1.0039 (7)	0.5906 (2)	0.0530 (2)	0.113 (2)
O14	0.8312 (5)	0.5288 (2)	0.0421 (2)	0.0985 (17)
O15	0.4650 (11)	0.4920 (3)	0.2921 (2)	0.146 (3)
O16	0.4995 (13)	0.5469 (6)	0.2340 (4)	0.296 (9)
O17	0.2718 (8)	0.5212 (3)	0.2429 (4)	0.156 (3)
O18	0.4260 (12)	0.4677 (6)	0.2171 (5)	0.312 (10)
O19	0.400 (2)	0.2313 (7)	0.2424 (4)	0.341 (11)
O20	0.3375 (9)	0.3030 (4)	0.2076 (3)	0.170 (4)
O21	0.5384 (6)	0.2621 (3)	0.1842 (3)	0.156 (3)
O22	0.3253 (7)	0.2267 (3)	0.1666 (3)	0.173 (4)
O23	−0.1139 (8)	0.2455 (2)	0.0406 (2)	0.121 (2)
O24	0.0134 (7)	0.18625 (17)	0.08928 (18)	0.0968 (18)
O25	0.1144 (9)	0.2536 (4)	0.0440 (4)	0.204 (5)
O26	−0.0318 (18)	0.2693 (3)	0.11201 (18)	0.307 (10)
O27	0.1322 (5)	0.0058 (2)	0.12165 (16)	0.0865 (15)
O28	0.0255 (8)	0.0123 (2)	0.04534 (15)	0.117 (2)
O29	−0.1083 (6)	−0.0173 (2)	0.11138 (19)	0.1025 (19)
O30	−0.0307 (7)	0.0697 (2)	0.1052 (3)	0.119 (2)
C15A	0.9634 (8)	0.4203 (4)	0.2938 (3)	0.044 (2)*	0.726 (18)
H15A	0.9582	0.4574	0.3026	0.053*	0.726 (18)
H15B	0.9059	0.4004	0.3168	0.053*	0.726 (18)
C16A	1.1152 (10)	0.4016 (3)	0.2962 (4)	0.053 (2)*	0.726 (18)
H16A	1.1770	0.4252	0.2781	0.063*	0.726 (18)
H16B	1.1475	0.3998	0.3299	0.063*	0.726 (18)
C15B	1.001 (2)	0.4366 (6)	0.2815 (6)	0.038 (5)*	0.274 (18)
H15C	1.0734	0.4586	0.2666	0.045*	0.274 (18)
H15D	0.9444	0.4585	0.3032	0.045*	0.274 (18)
C16B	1.067 (2)	0.3928 (6)	0.3093 (6)	0.036 (5)*	0.274 (18)
H16C	0.9998	0.3787	0.3328	0.043*	0.274 (18)
H16D	1.1487	0.4059	0.3272	0.043*	0.274 (18)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0273 (3)	0.0270 (3)	0.0307 (3)	−0.0018 (2)	−0.0034 (2)	−0.0029 (2)
Co2	0.0298 (3)	0.0297 (3)	0.0220 (3)	−0.0002 (2)	0.0013 (2)	0.0006 (2)
Co3	0.0288 (3)	0.0367 (3)	0.0247 (3)	−0.0007 (3)	−0.0015 (2)	0.0024 (2)
Cl1	0.0393 (6)	0.0658 (8)	0.0375 (6)	−0.0037 (6)	−0.0033 (5)	−0.0050 (5)
Cl2	0.0565 (8)	0.0498 (7)	0.0690 (9)	−0.0119 (7)	0.0004 (7)	−0.0090 (6)
Cl3	0.0661 (10)	0.0955 (13)	0.0686 (10)	0.0137 (9)	−0.0117 (8)	0.0045 (9)
Cl4	0.0420 (8)	0.0809 (11)	0.1022 (13)	0.0011 (8)	0.0110 (8)	−0.0078 (10)
Cl5	0.0612 (8)	0.0376 (6)	0.0485 (7)	0.0088 (6)	−0.0033 (6)	−0.0030 (5)
Cl6	0.0537 (8)	0.0523 (7)	0.0489 (7)	−0.0119 (6)	−0.0043 (6)	0.0162 (6)
C1	0.067 (4)	0.044 (3)	0.045 (3)	−0.019 (3)	−0.016 (3)	−0.007 (2)
C2	0.086 (4)	0.039 (3)	0.048 (3)	−0.008 (3)	−0.002 (3)	−0.015 (2)
C3	0.041 (3)	0.062 (4)	0.071 (4)	−0.014 (3)	0.001 (3)	0.000 (3)
C4	0.040 (3)	0.064 (3)	0.064 (3)	0.000 (3)	0.013 (2)	−0.001 (3)
C5	0.067 (3)	0.027 (2)	0.049 (3)	−0.006 (2)	−0.007 (3)	0.004 (2)
C6	0.049 (3)	0.042 (3)	0.053 (3)	0.002 (2)	−0.005 (2)	0.003 (2)
C7	0.036 (2)	0.039 (2)	0.030 (2)	0.007 (2)	−0.0120 (18)	−0.0033 (18)
C8	0.043 (3)	0.038 (2)	0.043 (3)	−0.002 (2)	−0.002 (2)	−0.0008 (19)
C9	0.048 (3)	0.034 (2)	0.042 (2)	0.002 (2)	−0.006 (2)	0.0007 (19)
C10	0.065 (4)	0.045 (3)	0.065 (3)	0.002 (3)	0.009 (3)	−0.007 (3)
C11	0.106 (6)	0.056 (4)	0.114 (6)	0.011 (4)	0.025 (5)	−0.020 (4)
C12	0.066 (4)	0.062 (4)	0.101 (5)	−0.024 (3)	0.001 (4)	−0.013 (4)
C13	0.046 (3)	0.051 (3)	0.054 (3)	0.020 (3)	0.010 (2)	0.002 (2)
C14	0.047 (3)	0.065 (4)	0.073 (4)	0.022 (3)	−0.021 (3)	−0.017 (3)
C17	0.072 (4)	0.035 (3)	0.086 (4)	0.007 (3)	0.023 (3)	0.008 (3)
C18	0.077 (4)	0.040 (3)	0.049 (3)	−0.015 (3)	0.018 (3)	0.000 (2)
C19	0.041 (3)	0.043 (3)	0.027 (2)	−0.001 (2)	0.0036 (19)	0.0014 (18)
C20	0.041 (3)	0.042 (3)	0.032 (2)	−0.001 (2)	0.0050 (19)	0.0032 (18)
C21	0.053 (3)	0.031 (2)	0.042 (2)	0.000 (2)	0.012 (2)	0.004 (2)
C22	0.078 (4)	0.051 (3)	0.082 (4)	0.009 (3)	0.030 (4)	0.012 (3)
C23	0.120 (8)	0.057 (5)	0.232 (12)	0.016 (5)	0.089 (8)	0.030 (6)
C24	0.096 (5)	0.065 (4)	0.092 (5)	−0.022 (4)	−0.006 (4)	−0.007 (4)
C25	0.039 (3)	0.109 (5)	0.078 (4)	0.030 (4)	0.000 (3)	0.011 (4)
C26	0.084 (5)	0.061 (4)	0.073 (4)	0.041 (4)	−0.003 (3)	0.012 (3)
C27	0.034 (3)	0.106 (5)	0.047 (3)	−0.023 (3)	−0.004 (2)	0.009 (3)
C28	0.073 (4)	0.085 (4)	0.050 (3)	−0.052 (4)	−0.007 (3)	0.009 (3)
C29	0.051 (3)	0.101 (5)	0.041 (3)	−0.018 (3)	−0.016 (3)	0.024 (3)
C30	0.058 (4)	0.107 (5)	0.034 (3)	−0.006 (3)	−0.011 (2)	0.017 (3)
C31	0.036 (2)	0.033 (2)	0.032 (2)	−0.0014 (18)	0.0015 (19)	0.0024 (18)
C32	0.035 (2)	0.031 (2)	0.030 (2)	0.0004 (18)	−0.0003 (17)	−0.0013 (17)
C33	0.042 (3)	0.045 (3)	0.023 (2)	0.000 (2)	−0.0055 (17)	−0.0015 (18)
C34	0.037 (3)	0.089 (4)	0.050 (3)	0.012 (3)	−0.010 (2)	−0.005 (3)
C35	0.047 (3)	0.174 (8)	0.065 (4)	0.016 (4)	−0.016 (3)	−0.015 (5)
C36	0.068 (4)	0.044 (3)	0.057 (3)	−0.014 (3)	−0.005 (3)	−0.002 (2)
N1	0.040 (2)	0.036 (2)	0.044 (2)	−0.0087 (18)	−0.0051 (18)	−0.0025 (17)
N2	0.044 (2)	0.036 (2)	0.038 (2)	−0.0061 (18)	−0.0012 (17)	−0.0064 (16)
N3	0.034 (2)	0.042 (2)	0.040 (2)	−0.0008 (17)	−0.0002 (17)	−0.0011 (16)
N4	0.037 (2)	0.0322 (19)	0.040 (2)	0.0049 (16)	−0.0049 (16)	−0.0037 (16)
N5	0.0309 (18)	0.0348 (19)	0.0358 (19)	−0.0007 (16)	−0.0049 (16)	−0.0045 (16)
N6	0.044 (2)	0.037 (2)	0.034 (2)	0.0060 (17)	0.0006 (16)	−0.0076 (16)
N7	0.038 (2)	0.040 (2)	0.0334 (19)	−0.0008 (18)	0.0004 (16)	−0.0002 (16)
N8	0.045 (2)	0.055 (2)	0.036 (2)	0.002 (2)	−0.0086 (19)	−0.0034 (18)
N9	0.036 (2)	0.038 (2)	0.0313 (18)	−0.0021 (16)	0.0069 (16)	0.0017 (15)
N10	0.036 (2)	0.0341 (19)	0.0323 (19)	−0.0026 (16)	0.0089 (15)	0.0021 (15)
N11	0.028 (2)	0.080 (3)	0.043 (2)	−0.005 (2)	−0.0058 (19)	0.010 (2)
N12	0.061 (3)	0.042 (2)	0.050 (2)	0.006 (2)	0.005 (2)	0.0055 (18)
N13	0.052 (2)	0.048 (2)	0.034 (2)	−0.0084 (19)	0.0010 (18)	−0.0028 (17)
N14	0.050 (2)	0.051 (2)	0.0285 (19)	0.000 (2)	−0.0004 (17)	0.0016 (17)
N15	0.0285 (18)	0.040 (2)	0.0263 (16)	−0.0013 (15)	0.0014 (14)	−0.0009 (15)
O1	0.0386 (18)	0.0389 (18)	0.0448 (18)	−0.0038 (14)	−0.0114 (14)	−0.0036 (14)
O2	0.050 (2)	0.053 (2)	0.0487 (19)	0.0112 (17)	−0.0165 (17)	−0.0006 (16)
O3	0.0448 (19)	0.0351 (16)	0.0305 (15)	0.0018 (14)	0.0121 (14)	0.0011 (12)
O4	0.049 (2)	0.0483 (19)	0.0370 (17)	−0.0019 (16)	0.0133 (15)	0.0136 (15)
O5	0.0298 (16)	0.0506 (19)	0.0299 (15)	0.0024 (14)	0.0012 (13)	0.0035 (13)
O6	0.0456 (18)	0.060 (2)	0.0256 (15)	−0.0048 (17)	0.0113 (15)	−0.0009 (14)
O7	0.172 (7)	0.185 (7)	0.115 (5)	0.120 (6)	0.037 (5)	0.027 (5)
O8	0.070 (3)	0.109 (4)	0.052 (2)	0.012 (3)	0.015 (2)	−0.007 (2)
O9	0.113 (5)	0.370 (13)	0.053 (3)	0.097 (7)	−0.034 (3)	−0.055 (5)
O10	0.170 (8)	0.184 (8)	0.338 (14)	−0.107 (7)	0.144 (9)	−0.113 (9)
O11	0.094 (4)	0.094 (4)	0.197 (7)	0.016 (3)	0.005 (5)	−0.027 (4)
O12	0.147 (6)	0.176 (7)	0.063 (3)	0.007 (5)	0.014 (4)	0.004 (4)
O13	0.131 (5)	0.076 (3)	0.132 (4)	−0.055 (3)	−0.040 (4)	0.029 (3)
O14	0.069 (3)	0.109 (4)	0.118 (4)	−0.030 (3)	−0.004 (3)	−0.047 (3)
O15	0.218 (9)	0.132 (5)	0.088 (4)	0.004 (6)	−0.037 (5)	0.021 (4)
O16	0.239 (11)	0.420 (17)	0.228 (10)	−0.225 (13)	−0.135 (9)	0.230 (12)
O17	0.097 (5)	0.102 (5)	0.269 (9)	0.027 (4)	0.005 (6)	0.039 (5)
O18	0.191 (10)	0.434 (18)	0.310 (13)	0.190 (12)	−0.143 (10)	−0.290 (14)
O19	0.45 (3)	0.44 (2)	0.137 (8)	−0.14 (2)	−0.095 (12)	0.114 (11)
O20	0.148 (7)	0.201 (8)	0.160 (7)	0.102 (6)	−0.014 (5)	−0.068 (6)
O21	0.050 (3)	0.172 (6)	0.246 (8)	−0.031 (4)	0.033 (4)	−0.121 (6)
O22	0.106 (5)	0.210 (8)	0.203 (8)	−0.096 (5)	0.032 (5)	−0.098 (7)
O23	0.171 (6)	0.092 (4)	0.100 (4)	−0.025 (4)	−0.067 (4)	0.027 (3)
O24	0.152 (5)	0.049 (2)	0.089 (3)	0.039 (3)	0.031 (3)	0.011 (2)
O25	0.120 (6)	0.234 (10)	0.257 (11)	−0.043 (7)	0.000 (7)	0.126 (9)
O26	0.76 (3)	0.125 (5)	0.038 (3)	0.225 (11)	−0.026 (7)	−0.014 (3)
O27	0.059 (3)	0.122 (4)	0.079 (3)	−0.012 (3)	−0.008 (2)	0.041 (3)
O28	0.163 (6)	0.147 (5)	0.040 (2)	−0.082 (5)	−0.004 (3)	0.005 (3)
O29	0.078 (3)	0.124 (4)	0.106 (4)	−0.048 (3)	−0.017 (3)	0.062 (3)
O30	0.107 (5)	0.073 (3)	0.177 (6)	0.008 (3)	0.015 (5)	−0.016 (4)

Geometric parameters (Å, º)

Co1—O1	1.899 (3)	C5—N1	1.489 (6)
Co1—N4	1.935 (4)	C5—C6	1.515 (7)
Co1—N5	1.950 (3)	C6—N4	1.480 (6)
Co1—N1	1.952 (4)	C7—O2	1.222 (5)
Co1—N2	1.966 (4)	C7—O1	1.287 (5)
Co1—N3	1.983 (4)	C7—C8	1.530 (7)
Co2—O3	1.904 (3)	C8—N5	1.487 (6)
Co2—N6	1.939 (4)	C8—C9	1.526 (6)
Co2—N9	1.951 (3)	C9—C12	1.526 (8)
Co2—N7	1.961 (4)	C9—C10	1.534 (7)
Co2—N10	1.962 (4)	C10—C11	1.520 (8)
Co2—N8	1.968 (4)	C13—N6	1.470 (7)
Co3—O5	1.903 (3)	C13—C14	1.528 (7)
Co3—N11	1.949 (4)	C14—N7	1.475 (6)
Co3—N15	1.951 (3)	C17—C18	1.497 (8)
Co3—N14	1.957 (4)	C17—N6	1.505 (7)
Co3—N12	1.963 (4)	C18—N9	1.471 (6)
Co3—N13	1.970 (4)	C19—O4	1.246 (5)
Cl1—O9	1.321 (5)	C19—O3	1.274 (5)
Cl1—O10	1.349 (7)	C19—C20	1.524 (6)
Cl1—O7	1.372 (6)	C20—N10	1.487 (5)
Cl1—O8	1.426 (4)	C20—C21	1.535 (6)
Cl2—O13	1.377 (5)	C21—C24	1.501 (8)
Cl2—O11	1.401 (6)	C21—C22	1.539 (8)
Cl2—O14	1.408 (5)	C22—C23	1.483 (9)
Cl2—O12	1.410 (5)	C25—N11	1.485 (8)
Cl3—O18	1.274 (8)	C25—C26	1.523 (10)
Cl3—O16	1.336 (8)	C26—N12	1.484 (7)
Cl3—O15	1.372 (6)	C27—N11	1.476 (7)
Cl3—O17	1.412 (7)	C27—C28	1.487 (9)
Cl4—O21	1.298 (6)	C28—N13	1.496 (7)
Cl4—O20	1.343 (7)	C29—C30	1.501 (8)
Cl4—O19	1.374 (10)	C29—N11	1.542 (7)
Cl4—O22	1.405 (6)	C30—N14	1.447 (6)
Cl5—O26	1.264 (5)	C31—O6	1.231 (5)
Cl5—O24	1.408 (4)	C31—O5	1.278 (5)
Cl5—O23	1.419 (6)	C31—C32	1.542 (6)
Cl5—O25	1.461 (8)	C32—N15	1.473 (5)
Cl6—O29	1.394 (5)	C32—C33	1.534 (6)
Cl6—O30	1.403 (5)	C33—C36	1.512 (7)
Cl6—O28	1.419 (5)	C33—C34	1.526 (7)
Cl6—O27	1.441 (5)	C34—C35	1.510 (8)
C1—C2	1.488 (8)	N6—C15A	1.512 (7)
C1—N1	1.493 (6)	N6—C15B	1.512 (13)
C2—N2	1.484 (6)	N8—C16A	1.476 (8)
C3—N1	1.485 (7)	N8—C16B	1.547 (14)
C3—C4	1.494 (8)	C15A—C16A	1.510 (10)
C4—N3	1.497 (6)	C15B—C16B	1.480 (16)
O1—Co1—N4	177.69 (16)	N1—C5—C6	111.7 (4)
O1—Co1—N5	85.34 (14)	N4—C6—C5	107.5 (4)
N4—Co1—N5	92.91 (15)	O2—C7—O1	124.1 (4)
O1—Co1—N1	94.67 (15)	O2—C7—C8	117.8 (4)
N4—Co1—N1	87.10 (16)	O1—C7—C8	117.9 (4)
N5—Co1—N1	179.20 (17)	N5—C8—C9	114.2 (4)
O1—Co1—N2	85.72 (16)	N5—C8—C7	108.0 (4)
N4—Co1—N2	92.93 (17)	C9—C8—C7	112.2 (4)
N5—Co1—N2	94.56 (15)	C8—C9—C12	109.6 (5)
N1—Co1—N2	86.24 (16)	C8—C9—C10	111.5 (4)
O1—Co1—N3	88.58 (16)	C12—C9—C10	112.8 (5)
N4—Co1—N3	93.05 (16)	C11—C10—C9	114.0 (5)
N5—Co1—N3	94.03 (16)	N6—C13—C14	107.4 (4)
N1—Co1—N3	85.17 (16)	N7—C14—C13	109.9 (4)
N2—Co1—N3	169.26 (16)	C18—C17—N6	112.0 (4)
O3—Co2—N6	93.56 (15)	N9—C18—C17	107.5 (4)
O3—Co2—N9	177.66 (15)	O4—C19—O3	123.4 (4)
N6—Co2—N9	86.95 (16)	O4—C19—C20	120.2 (4)
O3—Co2—N7	85.35 (14)	O3—C19—C20	116.2 (4)
N6—Co2—N7	85.45 (16)	N10—C20—C19	106.5 (4)
N9—Co2—N7	92.42 (16)	N10—C20—C21	115.2 (4)
O3—Co2—N10	84.07 (13)	C19—C20—C21	114.8 (4)
N6—Co2—N10	177.51 (15)	C24—C21—C20	112.7 (4)
N9—Co2—N10	95.45 (15)	C24—C21—C22	114.1 (5)
N7—Co2—N10	95.09 (16)	C20—C21—C22	110.2 (4)
O3—Co2—N8	89.99 (16)	C23—C22—C21	114.6 (5)
N6—Co2—N8	86.18 (17)	N11—C25—C26	108.5 (5)
N9—Co2—N8	92.33 (17)	N12—C26—C25	107.5 (4)
N7—Co2—N8	170.15 (16)	N11—C27—C28	108.7 (4)
N10—Co2—N8	93.05 (16)	C27—C28—N13	108.9 (5)
O5—Co3—N11	92.67 (15)	C30—C29—N11	111.4 (4)
O5—Co3—N15	84.33 (13)	N14—C30—C29	109.9 (4)
N11—Co3—N15	176.59 (17)	O6—C31—O5	124.7 (4)
O5—Co3—N14	179.33 (16)	O6—C31—C32	119.9 (4)
N11—Co3—N14	87.31 (18)	O5—C31—C32	115.4 (3)
N15—Co3—N14	95.70 (16)	N15—C32—C33	114.2 (3)
O5—Co3—N12	87.72 (16)	N15—C32—C31	108.0 (3)
N11—Co3—N12	86.0 (2)	C33—C32—C31	114.0 (3)
N15—Co3—N12	92.20 (18)	C36—C33—C34	112.1 (5)
N14—Co3—N12	92.95 (18)	C36—C33—C32	112.6 (4)
O5—Co3—N13	87.49 (15)	C34—C33—C32	110.6 (4)
N11—Co3—N13	86.25 (19)	C35—C34—C33	113.4 (5)
N15—Co3—N13	95.24 (17)	C3—N1—C5	112.3 (4)
N14—Co3—N13	91.84 (17)	C3—N1—C1	111.6 (4)
N12—Co3—N13	170.71 (19)	C5—N1—C1	110.7 (4)
O9—Cl1—O10	112.3 (8)	C3—N1—Co1	107.2 (3)
O9—Cl1—O7	111.4 (5)	C5—N1—Co1	109.7 (3)
O10—Cl1—O7	104.3 (7)	C1—N1—Co1	105.1 (3)
O9—Cl1—O8	110.0 (4)	C2—N2—Co1	110.7 (3)
O10—Cl1—O8	106.8 (4)	C4—N3—Co1	111.0 (3)
O7—Cl1—O8	111.8 (4)	C6—N4—Co1	110.6 (3)
O13—Cl2—O11	106.9 (4)	C8—N5—Co1	112.3 (3)
O13—Cl2—O14	109.8 (4)	C13—N6—C17	110.6 (4)
O11—Cl2—O14	112.5 (3)	C13—N6—C15A	108.4 (5)
O13—Cl2—O12	109.2 (4)	C17—N6—C15A	117.3 (5)
O11—Cl2—O12	108.2 (5)	C13—N6—C15B	122.6 (9)
O14—Cl2—O12	110.1 (4)	C17—N6—C15B	92.9 (9)
O18—Cl3—O16	112.4 (11)	C15A—N6—C15B	24.4 (7)
O18—Cl3—O15	109.8 (8)	C13—N6—Co2	106.9 (3)
O16—Cl3—O15	103.7 (5)	C17—N6—Co2	109.2 (3)
O18—Cl3—O17	103.3 (6)	C15A—N6—Co2	103.8 (4)
O16—Cl3—O17	110.4 (7)	C15B—N6—Co2	113.4 (6)
O15—Cl3—O17	117.5 (6)	C14—N7—Co2	110.9 (3)
O21—Cl4—O20	116.9 (6)	C16A—N8—C16B	23.4 (7)
O21—Cl4—O19	110.4 (9)	C16A—N8—Co2	112.1 (4)
O20—Cl4—O19	103.2 (10)	C16B—N8—Co2	105.5 (7)
O21—Cl4—O22	112.8 (4)	C18—N9—Co2	111.1 (3)
O20—Cl4—O22	108.6 (5)	C20—N10—Co2	109.6 (3)
O19—Cl4—O22	103.7 (8)	C27—N11—C25	112.1 (5)
O26—Cl5—O24	113.0 (4)	C27—N11—C29	111.0 (4)
O26—Cl5—O23	108.5 (7)	C25—N11—C29	112.3 (5)
O24—Cl5—O23	111.2 (3)	C27—N11—Co3	106.0 (3)
O26—Cl5—O25	118.5 (9)	C25—N11—Co3	106.0 (3)
O24—Cl5—O25	107.0 (5)	C29—N11—Co3	109.1 (3)
O23—Cl5—O25	97.5 (5)	C26—N12—Co3	111.5 (4)
O29—Cl6—O30	112.4 (4)	C28—N13—Co3	109.7 (4)
O29—Cl6—O28	111.3 (3)	C30—N14—Co3	110.8 (3)
O30—Cl6—O28	105.6 (4)	C32—N15—Co3	110.2 (3)
O29—Cl6—O27	112.7 (3)	C7—O1—Co1	116.3 (3)
O30—Cl6—O27	106.2 (4)	C19—O3—Co2	116.4 (3)
O28—Cl6—O27	108.2 (4)	C31—O5—Co3	117.0 (3)
C2—C1—N1	109.4 (4)	C16A—C15A—N6	109.1 (6)
N2—C2—C1	109.0 (4)	N8—C16A—C15A	105.0 (6)
N1—C3—C4	108.6 (4)	C16B—C15B—N6	107.6 (12)
C3—C4—N3	107.7 (4)	C15B—C16B—N8	110.0 (12)
N1—C1—C2—N2	43.5 (6)	O3—Co2—N6—C15B	85.6 (10)
N1—C3—C4—N3	−45.9 (6)	N9—Co2—N6—C15B	−96.7 (10)
N1—C5—C6—N4	39.2 (6)	N7—Co2—N6—C15B	170.6 (10)
O2—C7—C8—N5	177.1 (4)	N8—Co2—N6—C15B	−4.2 (10)
O1—C7—C8—N5	2.1 (5)	C13—C14—N7—Co2	−13.8 (6)
O2—C7—C8—C9	−56.1 (6)	O3—Co2—N7—C14	83.8 (4)
O1—C7—C8—C9	128.9 (4)	N6—Co2—N7—C14	−10.2 (4)
N5—C8—C9—C12	−65.7 (6)	N9—Co2—N7—C14	−96.9 (4)
C7—C8—C9—C12	171.0 (4)	N10—Co2—N7—C14	167.4 (4)
N5—C8—C9—C10	60.0 (6)	O3—Co2—N8—C16A	−91.8 (5)
C7—C8—C9—C10	−63.3 (5)	N6—Co2—N8—C16A	1.8 (5)
C8—C9—C10—C11	171.0 (6)	N9—Co2—N8—C16A	88.6 (5)
C12—C9—C10—C11	−65.1 (7)	N10—Co2—N8—C16A	−175.8 (5)
N6—C13—C14—N7	39.7 (6)	O3—Co2—N8—C16B	−68.0 (8)
N6—C17—C18—N9	39.5 (7)	N6—Co2—N8—C16B	25.6 (8)
O4—C19—C20—N10	158.3 (4)	N9—Co2—N8—C16B	112.4 (8)
O3—C19—C20—N10	−26.1 (5)	N10—Co2—N8—C16B	−152.0 (8)
O4—C19—C20—C21	29.5 (6)	C17—C18—N9—Co2	−34.2 (5)
O3—C19—C20—C21	−154.9 (4)	N6—Co2—N9—C18	16.6 (4)
N10—C20—C21—C24	−60.6 (6)	N7—Co2—N9—C18	102.0 (4)
C19—C20—C21—C24	63.7 (6)	N10—Co2—N9—C18	−162.7 (4)
N10—C20—C21—C22	68.2 (6)	N8—Co2—N9—C18	−69.4 (4)
C19—C20—C21—C22	−167.5 (4)	C19—C20—N10—Co2	27.5 (4)
C24—C21—C22—C23	−76.6 (8)	C21—C20—N10—Co2	156.1 (3)
C20—C21—C22—C23	155.4 (7)	O3—Co2—N10—C20	−18.9 (3)
N11—C25—C26—N12	45.1 (6)	N9—Co2—N10—C20	163.4 (3)
N11—C27—C28—N13	−45.7 (6)	N7—Co2—N10—C20	−103.6 (3)
N11—C29—C30—N14	−35.4 (8)	N8—Co2—N10—C20	70.8 (3)
O6—C31—C32—N15	164.2 (4)	C28—C27—N11—C25	162.3 (4)
O5—C31—C32—N15	−18.1 (5)	C28—C27—N11—C29	−71.3 (5)
O6—C31—C32—C33	36.2 (6)	C28—C27—N11—Co3	47.0 (5)
O5—C31—C32—C33	−146.1 (4)	C26—C25—N11—C27	−162.4 (5)
N15—C32—C33—C36	−68.3 (5)	C26—C25—N11—C29	71.9 (6)
C31—C32—C33—C36	56.4 (5)	C26—C25—N11—Co3	−47.2 (5)
N15—C32—C33—C34	58.0 (5)	C30—C29—N11—C27	135.7 (6)
C31—C32—C33—C34	−177.2 (4)	C30—C29—N11—C25	−98.1 (6)
C36—C33—C34—C35	−60.9 (7)	C30—C29—N11—Co3	19.2 (7)
C32—C33—C34—C35	172.5 (6)	O5—Co3—N11—C27	59.8 (4)
C4—C3—N1—C5	−73.9 (5)	N14—Co3—N11—C27	−119.6 (4)
C4—C3—N1—C1	161.2 (4)	N12—Co3—N11—C27	147.3 (4)
C4—C3—N1—Co1	46.6 (5)	N13—Co3—N11—C27	−27.5 (4)
C6—C5—N1—C3	95.0 (5)	O5—Co3—N11—C25	−59.5 (4)
C6—C5—N1—C1	−139.5 (5)	N14—Co3—N11—C25	121.2 (4)
C6—C5—N1—Co1	−24.1 (5)	N12—Co3—N11—C25	28.0 (4)
C2—C1—N1—C3	−162.7 (4)	N13—Co3—N11—C25	−146.8 (4)
C2—C1—N1—C5	71.5 (5)	O5—Co3—N11—C29	179.3 (4)
C2—C1—N1—Co1	−46.8 (5)	N14—Co3—N11—C29	0.0 (4)
O1—Co1—N1—C3	62.1 (3)	N12—Co3—N11—C29	−93.1 (4)
N4—Co1—N1—C3	−119.4 (3)	N13—Co3—N11—C29	92.0 (4)
N2—Co1—N1—C3	147.5 (3)	C25—C26—N12—Co3	−21.7 (6)
N3—Co1—N1—C3	−26.1 (3)	O5—Co3—N12—C26	89.5 (4)
O1—Co1—N1—C5	−175.7 (3)	N11—Co3—N12—C26	−3.4 (4)
N4—Co1—N1—C5	2.8 (3)	N15—Co3—N12—C26	173.7 (4)
N2—Co1—N1—C5	−90.3 (3)	N14—Co3—N12—C26	−90.5 (4)
N3—Co1—N1—C5	96.1 (3)	C27—C28—N13—Co3	22.2 (5)
O1—Co1—N1—C1	−56.7 (3)	O5—Co3—N13—C28	−89.7 (3)
N4—Co1—N1—C1	121.8 (3)	N11—Co3—N13—C28	3.1 (3)
N2—Co1—N1—C1	28.6 (3)	N15—Co3—N13—C28	−173.8 (3)
N3—Co1—N1—C1	−144.9 (4)	N14—Co3—N13—C28	90.3 (4)
C1—C2—N2—Co1	−19.0 (5)	C29—C30—N14—Co3	35.0 (6)
O1—Co1—N2—C2	89.1 (4)	N11—Co3—N14—C30	−19.9 (4)
N4—Co1—N2—C2	−92.7 (4)	N15—Co3—N14—C30	158.5 (4)
N5—Co1—N2—C2	174.1 (4)	N12—Co3—N14—C30	66.0 (4)
N1—Co1—N2—C2	−5.8 (4)	N13—Co3—N14—C30	−106.0 (4)
N3—Co1—N2—C2	31.1 (11)	C33—C32—N15—Co3	151.7 (3)
C3—C4—N3—Co1	24.1 (5)	C31—C32—N15—Co3	23.8 (4)
O1—Co1—N3—C4	−93.7 (3)	O5—Co3—N15—C32	−18.8 (3)
N4—Co1—N3—C4	87.9 (3)	N14—Co3—N15—C32	160.6 (3)
N5—Co1—N3—C4	−179.0 (3)	N12—Co3—N15—C32	−106.3 (3)
N1—Co1—N3—C4	1.1 (3)	N13—Co3—N15—C32	68.2 (3)
N2—Co1—N3—C4	−35.9 (10)	O2—C7—O1—Co1	−174.4 (4)
C5—C6—N4—Co1	−36.1 (5)	C8—C7—O1—Co1	0.2 (5)
N5—Co1—N4—C6	−159.9 (3)	N5—Co1—O1—C7	−1.9 (3)
N1—Co1—N4—C6	19.3 (3)	N1—Co1—O1—C7	178.9 (3)
N2—Co1—N4—C6	105.4 (3)	N2—Co1—O1—C7	93.1 (3)
N3—Co1—N4—C6	−65.7 (3)	N3—Co1—O1—C7	−96.0 (3)
C9—C8—N5—Co1	−129.0 (4)	O4—C19—O3—Co2	−172.9 (3)
C7—C8—N5—Co1	−3.4 (4)	C20—C19—O3—Co2	11.6 (5)
O1—Co1—N5—C8	3.0 (3)	N6—Co2—O3—C19	−174.9 (3)
N4—Co1—N5—C8	−175.5 (3)	N7—Co2—O3—C19	100.0 (3)
N2—Co1—N5—C8	−82.3 (3)	N10—Co2—O3—C19	4.4 (3)
N3—Co1—N5—C8	91.3 (3)	N8—Co2—O3—C19	−88.7 (3)
C14—C13—N6—C17	71.7 (5)	O6—C31—O5—Co3	−179.3 (3)
C14—C13—N6—C15A	−158.4 (5)	C32—C31—O5—Co3	3.1 (5)
C14—C13—N6—C15B	179.5 (9)	N11—Co3—O5—C31	−172.6 (3)
C14—C13—N6—Co2	−47.1 (5)	N15—Co3—O5—C31	9.0 (3)
C18—C17—N6—C13	−143.8 (5)	N12—Co3—O5—C31	101.4 (3)
C18—C17—N6—C15A	91.2 (6)	N13—Co3—O5—C31	−86.5 (3)
C18—C17—N6—C15B	89.6 (8)	C13—N6—C15A—C16A	163.7 (7)
C18—C17—N6—Co2	−26.5 (6)	C17—N6—C15A—C16A	−70.2 (9)
O3—Co2—N6—C13	−52.6 (3)	C15B—N6—C15A—C16A	−66.5 (16)
N9—Co2—N6—C13	125.1 (3)	Co2—N6—C15A—C16A	50.3 (8)
N7—Co2—N6—C13	32.5 (3)	C16B—N8—C16A—C15A	−52.6 (15)
N8—Co2—N6—C13	−142.3 (3)	Co2—N8—C16A—C15A	25.1 (9)
O3—Co2—N6—C17	−172.3 (4)	N6—C15A—C16A—N8	−49.4 (10)
N9—Co2—N6—C17	5.4 (4)	C13—N6—C15B—C16B	111.1 (15)
N7—Co2—N6—C17	−87.3 (4)	C17—N6—C15B—C16B	−132.1 (17)
N8—Co2—N6—C17	97.9 (4)	C15A—N6—C15B—C16B	51.2 (15)
O3—Co2—N6—C15A	61.8 (4)	Co2—N6—C15B—C16B	−20 (2)
N9—Co2—N6—C15A	−120.4 (4)	N6—C15B—C16B—N8	41 (2)
N7—Co2—N6—C15A	146.9 (4)	C16A—N8—C16B—C15B	66.2 (17)
N8—Co2—N6—C15A	−27.9 (4)	Co2—N8—C16B—C15B	−43.8 (19)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2C···O2^i	0.90	2.20	2.728 (5)	117
N2—H2C···O13^ii	0.90	2.45	3.205 (7)	142
N2—H2D···O9^iii	0.90	2.39	3.272 (10)	167
N3—H3C···O8^iv	0.90	2.53	3.270 (6)	139
N3—H3D···O4^v	0.90	2.11	2.914 (5)	148
N4—H4C···O4^v	0.90	2.12	2.930 (5)	149
N4—H4C···O7^ii	0.90	2.58	3.057 (7)	114
N4—H4D···O13^ii	0.90	2.17	3.030 (6)	159
N5—H5C···O2^i	0.90	2.04	2.828 (5)	146
N5—H5D···O4^v	0.90	2.28	3.045 (5)	142
N7—H7A···O6^vi	0.90	2.10	2.905 (5)	148
N7—H7B···O21	0.90	2.20	3.003 (7)	149
N8—H8B···O8^vii	0.90	2.30	3.082 (6)	146
N8—H8B···O10^vii	0.90	2.50	3.305 (11)	149
N8—H8C···O20^viii	0.90	2.16	3.000 (8)	155
N9—H9B···O20^viii	0.90	2.34	3.165 (8)	152
N9—H9C···O6^vi	0.90	2.08	2.912 (5)	154
N9—H9C···O26^viii	0.90	2.53	3.109 (10)	123
N10—H10C···O26^viii	0.90	2.16	2.837 (6)	131
N10—H10D···O20^viii	0.90	2.53	3.326 (10)	148
N10—H10D···O22^viii	0.90	2.61	3.472 (8)	160
N12—H12D···O27	0.90	2.14	3.036 (6)	171
N12—H12D···O28	0.90	2.61	3.227 (8)	126
N12—H12E···O14^ix	0.90	2.13	2.971 (7)	156
N13—H13C···O23^vi	0.90	2.13	2.998 (7)	163
N13—H13D···O25	0.90	2.55	3.145 (10)	124
N13—H13D···O22	0.90	2.64	3.349 (9)	136
N14—H14C···O22	0.90	2.28	3.123 (8)	155
N14—H14D···O27	0.90	2.42	3.163 (7)	140
N14—H14D···O30	0.90	2.46	3.318 (8)	159
N15—H15E···O28	0.90	2.23	3.103 (6)	165
N15—H15F···O24	0.90	2.07	2.960 (6)	169

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