[Tris(2-amino­ethyl)­amine-[kappa]⁴N]chloro­(dimethyl sulfoxide-O)­cobalt(III) diper­chlorate

The title compound, [CoCl(tren)(dmso)](ClO₄)₂ [tren is tris-(2-amino­ethyl)­amine, C₆H₁₈N₄; dmso is di­methyl sulfoxide, C₂H₆OS], is the first crystal structure reported with dmso coordinated to Co^III. It crystallizes with two independent mol­ecules in the asymmetric unit. A localized non-crystallographic inversion centre is observed between the two cations.

Computing details

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

chloro tris-(2-aminoethyl)amine (dimethyl sulfoxide-O)- cobalt (III) perchlorate

Crystal data

[CoCl(C6H18N4)(C2H6OS)](ClO4)2	F(000) = 2128
Mr = 517.65	Dx = 1.739 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 20.0177 (10) Å	Cell parameters from 8192 reflections
b = 15.7193 (8) Å	θ = 1.7–27.0°
c = 12.9074 (7) Å	µ = 1.43 mm^−1
β = 103.235 (1)°	T = 293 K
V = 3953.6 (4) Å^3	Column, red
Z = 8	0.3 × 0.2 × 0.15 mm

Data collection

Bruker SMART CCD area-detector diffractometer	8616 independent reflections
Radiation source: fine-focus sealed tube	6484 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.025
φ and ω scans	θmax = 27.0°, θmin = 1.7°
Absorption correction: empirical (using intensity measurements) (Blessing, 1995)	h = −25→25
Tmin = 0.674, Tmax = 0.814	k = −15→20
23159 measured reflections	l = −16→15

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.044	w = 1/[σ^2(Fo^2) + (0.0977P)^2 + 1.2289P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.130	(Δ/σ)max = 0.002
S = 1.04	Δρmax = 0.99 e Å^−3
8616 reflections	Δρmin = −0.84 e Å^−3
466 parameters

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	0.41961 (2)	0.41694 (3)	0.82622 (3)	0.02703 (11)
Cl1	0.44355 (4)	0.39637 (6)	1.00340 (6)	0.0384 (2)
C1	0.4004 (2)	0.2793 (2)	0.6763 (3)	0.0474 (9)
H1A	0.4407	0.2685	0.6484	0.057*
H1B	0.3706	0.2300	0.6616	0.057*
C2	0.3634 (2)	0.3571 (2)	0.6244 (3)	0.0432 (9)
H2A	0.3603	0.3557	0.5483	0.052*
H2B	0.3173	0.3589	0.6361	0.052*
C3	0.3624 (2)	0.5142 (2)	0.6485 (3)	0.0420 (8)
H3A	0.3151	0.5044	0.6520	0.050*
H3B	0.3629	0.5341	0.5776	0.050*
C4	0.3948 (2)	0.5798 (2)	0.7303 (3)	0.0449 (9)
H4A	0.4384	0.5984	0.7174	0.054*
H4B	0.3650	0.6289	0.7262	0.054*
C5	0.47061 (19)	0.4408 (2)	0.6397 (3)	0.0411 (8)
H5A	0.4677	0.4106	0.5732	0.049*
H5B	0.4804	0.5001	0.6285	0.049*
C6	0.52769 (19)	0.4037 (2)	0.7242 (3)	0.0428 (8)
H6A	0.5276	0.3421	0.7188	0.051*
H6B	0.5717	0.4247	0.7158	0.051*
C7	0.2072 (2)	0.3338 (4)	0.8163 (4)	0.0817 (17)
H7A	0.2121	0.2889	0.7681	0.123*
H7B	0.1875	0.3828	0.7765	0.123*
H7C	0.1778	0.3151	0.8610	0.123*
C8	0.2643 (3)	0.4418 (4)	0.9745 (4)	0.0879 (19)
H8A	0.3043	0.4635	1.0232	0.132*
H8B	0.2330	0.4192	1.0137	0.132*
H8C	0.2424	0.4869	0.9290	0.132*
N1	0.40288 (14)	0.43391 (17)	0.6723 (2)	0.0326 (6)
N2	0.42128 (15)	0.29496 (17)	0.7944 (2)	0.0351 (6)
H2C	0.4638	0.2745	0.8200	0.042*
H2D	0.3924	0.2672	0.8268	0.042*
N3	0.40533 (15)	0.53916 (18)	0.8373 (2)	0.0374 (6)
H3C	0.3684	0.5485	0.8645	0.045*
H3D	0.4421	0.5625	0.8816	0.045*
N4	0.51570 (14)	0.43012 (18)	0.8288 (2)	0.0354 (6)
H4C	0.5282	0.4848	0.8418	0.042*
H4D	0.5410	0.3978	0.8808	0.042*
O1	0.32101 (12)	0.40697 (16)	0.81506 (18)	0.0398 (6)
S1	0.28878 (5)	0.36036 (7)	0.89622 (7)	0.0460 (2)
Co2	0.90425 (2)	0.47537 (3)	0.80758 (3)	0.02916 (12)
Cl2	0.90154 (4)	0.50517 (6)	0.97645 (6)	0.0403 (2)
C9	0.9334 (2)	0.3643 (2)	0.6580 (3)	0.0459 (9)
H9A	0.9473	0.3540	0.5919	0.055*
H9B	0.8974	0.3243	0.6630	0.055*
C10	0.9940 (2)	0.3534 (3)	0.7517 (3)	0.0490 (10)
H10A	1.0062	0.2937	0.7615	0.059*
H10B	1.0334	0.3844	0.7396	0.059*
C11	0.8368 (2)	0.4649 (3)	0.5963 (3)	0.0524 (10)
H11A	0.8080	0.4183	0.6091	0.063*
H11B	0.8367	0.4658	0.5211	0.063*
C12	0.8097 (2)	0.5480 (3)	0.6284 (3)	0.0561 (11)
H12A	0.8299	0.5953	0.5981	0.067*
H12B	0.7603	0.5505	0.6026	0.067*
C13	0.9575 (2)	0.5150 (3)	0.6277 (3)	0.0492 (10)
H13A	1.0015	0.4875	0.6330	0.059*
H13B	0.9399	0.5317	0.5542	0.059*
C14	0.9667 (2)	0.5927 (3)	0.6976 (3)	0.0513 (10)
H14A	1.0080	0.6230	0.6924	0.062*
H14B	0.9278	0.6306	0.6761	0.062*
C15	0.7205 (2)	0.3111 (3)	0.7826 (4)	0.0580 (11)
H15A	0.6968	0.3444	0.7232	0.087*
H15B	0.6884	0.2911	0.8221	0.087*
H15C	0.7421	0.2634	0.7573	0.087*
C16	0.8177 (3)	0.2996 (3)	0.9678 (3)	0.0641 (12)
H16A	0.8537	0.3253	1.0205	0.096*
H16B	0.8357	0.2517	0.9368	0.096*
H16C	0.7818	0.2809	1.0006	0.096*
N5	0.90814 (14)	0.4532 (2)	0.6607 (2)	0.0373 (6)
N6	0.97329 (15)	0.38707 (19)	0.8475 (2)	0.0391 (7)
H6C	1.0103	0.4085	0.8933	0.047*
H6D	0.9564	0.3445	0.8805	0.047*
N7	0.82847 (15)	0.5530 (2)	0.7481 (2)	0.0398 (7)
H7D	0.7917	0.5395	0.7737	0.048*
H7E	0.8408	0.6067	0.7682	0.048*
N8	0.97208 (15)	0.56278 (19)	0.8081 (2)	0.0400 (7)
H8D	0.9650	0.6065	0.8493	0.048*
H8E	1.0144	0.5418	0.8348	0.048*
O2	0.83867 (13)	0.38252 (17)	0.79914 (19)	0.0428 (6)
S2	0.78427 (5)	0.37518 (6)	0.86688 (7)	0.0412 (2)
Cl3	0.63998 (4)	0.57897 (5)	0.69409 (7)	0.0394 (2)
O3	0.57936 (18)	0.5972 (2)	0.7279 (4)	0.0917 (13)
O4	0.6244 (3)	0.5306 (3)	0.5990 (3)	0.1090 (16)
O5	0.67627 (18)	0.6541 (2)	0.6797 (4)	0.0849 (12)
O6	0.6813 (2)	0.5265 (3)	0.7703 (3)	0.1044 (15)
Cl4	0.60941 (5)	0.25236 (7)	0.50364 (8)	0.0533 (3)
O7	0.66763 (17)	0.3058 (2)	0.5081 (3)	0.0751 (10)
O8	0.5887 (2)	0.2502 (3)	0.6005 (3)	0.0995 (14)
O9	0.6279 (2)	0.1649 (3)	0.4860 (4)	0.1038 (14)
O10	0.5582 (2)	0.2712 (4)	0.4144 (4)	0.141 (2)
Cl5	0.15410 (7)	0.59792 (9)	0.72736 (11)	0.0735 (4)
O11	0.1238 (2)	0.5341 (3)	0.7779 (4)	0.1129 (16)
O12	0.1346 (3)	0.6767 (3)	0.7586 (5)	0.139 (2)
O13	0.1225 (5)	0.5972 (6)	0.6194 (4)	0.212 (4)
O14A	0.2292 (5)	0.6009 (7)	0.7868 (9)	0.116 (3)*	0.50
O14B	0.2160 (5)	0.5861 (6)	0.7149 (9)	0.110 (3)*	0.50
Cl6	0.09721 (9)	0.26153 (7)	0.55487 (9)	0.0785 (4)
O15	0.0967 (2)	0.3497 (2)	0.5750 (3)	0.0935 (13)
O16	0.0947 (3)	0.2385 (3)	0.4540 (4)	0.136 (2)
O18A	0.1324 (5)	0.2133 (6)	0.6380 (8)	0.101 (3)*	0.50
O17B	0.0953 (3)	0.2205 (4)	0.6478 (5)	0.0554 (15)*	0.50
O18B	0.1790 (6)	0.2393 (8)	0.5681 (10)	0.139 (4)*	0.50
O17A	0.0192 (4)	0.2251 (5)	0.5427 (6)	0.089 (2)*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0336 (2)	0.0256 (2)	0.0221 (2)	−0.00252 (16)	0.00670 (16)	−0.00156 (16)
Cl1	0.0451 (5)	0.0443 (5)	0.0240 (4)	−0.0050 (4)	0.0043 (3)	−0.0005 (3)
C1	0.076 (3)	0.0323 (19)	0.0350 (19)	−0.0116 (18)	0.0154 (18)	−0.0083 (15)
C2	0.059 (2)	0.044 (2)	0.0251 (16)	−0.0161 (17)	0.0067 (15)	−0.0051 (15)
C3	0.049 (2)	0.042 (2)	0.0331 (18)	0.0040 (16)	0.0056 (15)	0.0089 (15)
C4	0.065 (2)	0.0305 (18)	0.0396 (19)	0.0058 (16)	0.0120 (17)	0.0069 (15)
C5	0.053 (2)	0.043 (2)	0.0321 (17)	−0.0031 (16)	0.0199 (16)	0.0014 (15)
C6	0.047 (2)	0.041 (2)	0.047 (2)	−0.0001 (16)	0.0246 (17)	−0.0005 (16)
C7	0.047 (3)	0.126 (5)	0.068 (3)	−0.036 (3)	0.005 (2)	0.000 (3)
C8	0.068 (3)	0.145 (5)	0.056 (3)	0.026 (3)	0.023 (2)	−0.028 (3)
N1	0.0416 (15)	0.0331 (15)	0.0236 (13)	−0.0044 (12)	0.0084 (11)	0.0001 (11)
N2	0.0474 (16)	0.0270 (14)	0.0315 (14)	−0.0056 (12)	0.0102 (12)	−0.0034 (11)
N3	0.0473 (17)	0.0297 (15)	0.0347 (15)	0.0013 (12)	0.0085 (13)	−0.0031 (12)
N4	0.0367 (15)	0.0334 (15)	0.0349 (15)	−0.0003 (12)	0.0062 (12)	0.0010 (12)
O1	0.0353 (12)	0.0535 (16)	0.0313 (12)	−0.0054 (11)	0.0092 (10)	0.0009 (11)
S1	0.0371 (5)	0.0663 (7)	0.0361 (5)	−0.0060 (4)	0.0112 (4)	0.0044 (4)
Co2	0.0309 (2)	0.0324 (2)	0.0241 (2)	0.00308 (17)	0.00624 (16)	−0.00085 (17)
Cl2	0.0405 (4)	0.0530 (5)	0.0274 (4)	−0.0001 (4)	0.0081 (3)	−0.0078 (3)
C9	0.062 (2)	0.042 (2)	0.0378 (19)	0.0069 (17)	0.0180 (17)	−0.0091 (16)
C10	0.061 (2)	0.047 (2)	0.042 (2)	0.0207 (18)	0.0184 (18)	0.0010 (17)
C11	0.045 (2)	0.084 (3)	0.0251 (17)	0.010 (2)	0.0034 (15)	−0.0011 (18)
C12	0.048 (2)	0.085 (3)	0.035 (2)	0.026 (2)	0.0081 (17)	0.013 (2)
C13	0.056 (2)	0.057 (2)	0.041 (2)	0.0089 (19)	0.0237 (18)	0.0117 (18)
C14	0.058 (2)	0.045 (2)	0.058 (2)	0.0021 (18)	0.027 (2)	0.0109 (19)
C15	0.049 (2)	0.065 (3)	0.058 (3)	−0.020 (2)	0.010 (2)	−0.012 (2)
C16	0.081 (3)	0.066 (3)	0.044 (2)	−0.008 (2)	0.012 (2)	0.012 (2)
N5	0.0401 (16)	0.0472 (17)	0.0254 (13)	0.0075 (13)	0.0094 (12)	0.0002 (12)
N6	0.0457 (17)	0.0368 (16)	0.0333 (15)	0.0096 (13)	0.0058 (13)	0.0008 (12)
N7	0.0371 (15)	0.0470 (17)	0.0355 (15)	0.0110 (13)	0.0086 (12)	0.0012 (13)
N8	0.0406 (16)	0.0358 (16)	0.0452 (17)	0.0003 (12)	0.0130 (13)	−0.0016 (13)
O2	0.0490 (15)	0.0455 (15)	0.0370 (13)	−0.0116 (11)	0.0159 (11)	−0.0091 (11)
S2	0.0431 (5)	0.0446 (5)	0.0374 (5)	−0.0059 (4)	0.0127 (4)	−0.0045 (4)
Cl3	0.0411 (5)	0.0369 (5)	0.0416 (5)	0.0051 (3)	0.0121 (4)	0.0007 (4)
O3	0.067 (2)	0.057 (2)	0.171 (4)	−0.0099 (16)	0.068 (3)	−0.027 (2)
O4	0.156 (4)	0.125 (4)	0.057 (2)	−0.053 (3)	0.048 (2)	−0.030 (2)
O5	0.072 (2)	0.0446 (18)	0.157 (4)	−0.0041 (15)	0.065 (2)	−0.005 (2)
O6	0.071 (2)	0.143 (4)	0.091 (3)	0.013 (2)	0.002 (2)	0.061 (3)
Cl4	0.0612 (6)	0.0568 (6)	0.0400 (5)	−0.0162 (5)	0.0077 (4)	−0.0032 (4)
O7	0.071 (2)	0.072 (2)	0.078 (2)	−0.0262 (17)	0.0068 (17)	0.0026 (18)
O8	0.111 (3)	0.125 (4)	0.075 (3)	−0.034 (3)	0.045 (2)	−0.034 (2)
O9	0.128 (4)	0.068 (3)	0.130 (4)	−0.020 (2)	0.061 (3)	−0.028 (2)
O10	0.108 (3)	0.169 (5)	0.111 (4)	−0.067 (3)	−0.049 (3)	0.076 (3)
Cl5	0.0898 (9)	0.0703 (8)	0.0717 (8)	−0.0073 (6)	0.0420 (7)	−0.0020 (6)
O11	0.094 (3)	0.121 (4)	0.130 (4)	0.000 (3)	0.039 (3)	0.058 (3)
O12	0.153 (5)	0.088 (3)	0.177 (5)	0.006 (3)	0.038 (4)	−0.047 (3)
O13	0.303 (10)	0.285 (10)	0.066 (3)	−0.061 (8)	0.078 (5)	−0.017 (4)
Cl6	0.1522 (13)	0.0433 (6)	0.0406 (6)	0.0138 (7)	0.0233 (7)	0.0044 (5)
O15	0.162 (4)	0.0413 (18)	0.073 (2)	0.007 (2)	0.019 (2)	0.0079 (17)
O16	0.241 (7)	0.094 (3)	0.073 (3)	0.004 (4)	0.038 (3)	−0.009 (2)

Geometric parameters (Å, º)

Co1—N4	1.927 (3)	C11—C12	1.508 (6)
Co1—O1	1.952 (2)	C12—N7	1.506 (4)
Co1—N3	1.952 (3)	C13—C14	1.504 (6)
Co1—N1	1.956 (3)	C13—N5	1.515 (5)
Co1—N2	1.963 (3)	C14—N8	1.482 (5)
Co1—Cl1	2.2500 (9)	C15—S2	1.786 (4)
C1—C2	1.505 (5)	C16—S2	1.777 (4)
C1—N2	1.506 (4)	O2—S2	1.549 (3)
C2—N1	1.497 (4)	Cl3—O6	1.400 (4)
C3—N1	1.494 (4)	Cl3—O3	1.410 (3)
C3—C4	1.510 (5)	Cl3—O4	1.416 (4)
C4—N3	1.493 (4)	Cl3—O5	1.421 (3)
C5—C6	1.505 (5)	Cl4—O10	1.386 (4)
C5—N1	1.513 (4)	Cl4—O8	1.406 (4)
C6—N4	1.484 (4)	Cl4—O7	1.427 (3)
C7—S1	1.770 (4)	Cl4—O9	1.455 (4)
C8—S1	1.768 (5)	Cl5—O14B	1.299 (10)
O1—S1	1.536 (2)	Cl5—O12	1.386 (5)
Co2—N8	1.931 (3)	Cl5—O13	1.393 (6)
Co2—N6	1.943 (3)	Cl5—O11	1.407 (4)
Co2—N5	1.947 (3)	Cl5—O14A	1.523 (11)
Co2—O2	1.949 (2)	Cl6—O16	1.341 (4)
Co2—N7	1.962 (3)	Cl6—O17B	1.370 (6)
Co2—Cl2	2.2422 (9)	Cl6—O18A	1.370 (10)
C9—N5	1.489 (5)	Cl6—O15	1.411 (4)
C9—C10	1.514 (5)	Cl6—O17A	1.637 (8)
C10—N6	1.489 (4)	Cl6—O18B	1.644 (12)
C11—N5	1.490 (5)
N4—Co1—O1	176.48 (11)	C14—C13—N5	110.5 (3)
N4—Co1—N3	93.17 (12)	N8—C14—C13	107.0 (3)
O1—Co1—N3	85.52 (12)	C9—N5—C11	113.0 (3)
N4—Co1—N1	86.61 (11)	C9—N5—C13	110.4 (3)
O1—Co1—N1	90.05 (11)	C11—N5—C13	111.5 (3)
N3—Co1—N1	86.93 (11)	C9—N5—Co2	106.3 (2)
N4—Co1—N2	92.51 (12)	C11—N5—Co2	105.9 (2)
O1—Co1—N2	88.37 (12)	C13—N5—Co2	109.4 (2)
N3—Co1—N2	170.55 (12)	C10—N6—Co2	110.5 (2)
N1—Co1—N2	85.87 (11)	C12—N7—Co2	111.0 (2)
N4—Co1—Cl1	91.06 (8)	C14—N8—Co2	109.1 (2)
O1—Co1—Cl1	92.29 (7)	S2—O2—Co2	125.15 (15)
N3—Co1—Cl1	93.87 (9)	O2—S2—C16	105.5 (2)
N1—Co1—Cl1	177.57 (9)	O2—S2—C15	101.25 (18)
N2—Co1—Cl1	93.57 (8)	C16—S2—C15	99.5 (2)
C2—C1—N2	108.2 (3)	O6—Cl3—O3	108.4 (3)
N1—C2—C1	108.2 (3)	O6—Cl3—O4	105.7 (3)
N1—C3—C4	107.9 (3)	O3—Cl3—O4	110.1 (3)
N3—C4—C3	107.6 (3)	O6—Cl3—O5	110.1 (3)
C6—C5—N1	110.6 (3)	O3—Cl3—O5	111.9 (2)
N4—C6—C5	107.2 (3)	O4—Cl3—O5	110.5 (2)
C3—N1—C2	112.7 (3)	O10—Cl4—O8	115.6 (3)
C3—N1—C5	111.2 (3)	O10—Cl4—O7	110.4 (2)
C2—N1—C5	111.4 (3)	O8—Cl4—O7	112.6 (2)
C3—N1—Co1	106.4 (2)	O10—Cl4—O9	103.8 (3)
C2—N1—Co1	105.16 (19)	O8—Cl4—O9	104.7 (3)
C5—N1—Co1	109.7 (2)	O7—Cl4—O9	109.1 (2)
C1—N2—Co1	110.9 (2)	O14B—Cl5—O12	120.2 (5)
C4—N3—Co1	110.2 (2)	O14B—Cl5—O13	95.9 (6)
C6—N4—Co1	108.8 (2)	O12—Cl5—O13	101.8 (5)
S1—O1—Co1	124.29 (15)	O14B—Cl5—O11	118.7 (5)
O1—S1—C8	105.0 (2)	O12—Cl5—O11	108.8 (3)
O1—S1—C7	101.0 (2)	O13—Cl5—O11	108.2 (4)
C8—S1—C7	99.5 (3)	O14B—Cl5—O14A	37.6 (5)
N8—Co2—N6	92.90 (13)	O12—Cl5—O14A	97.9 (5)
N8—Co2—N5	86.89 (13)	O13—Cl5—O14A	132.4 (5)
N6—Co2—N5	86.90 (12)	O11—Cl5—O14A	105.6 (5)
N8—Co2—O2	175.66 (11)	O16—Cl6—O17B	136.1 (4)
N6—Co2—O2	84.78 (13)	O16—Cl6—O18A	120.6 (5)
N5—Co2—O2	89.32 (12)	O17B—Cl6—O18A	33.4 (4)
N8—Co2—N7	92.21 (13)	O16—Cl6—O15	116.3 (3)
N6—Co2—N7	170.99 (13)	O17B—Cl6—O15	107.4 (3)
N5—Co2—N7	85.97 (12)	O18A—Cl6—O15	115.1 (4)
O2—Co2—N7	89.63 (12)	O16—Cl6—O17A	89.5 (4)
N8—Co2—Cl2	91.24 (9)	O17B—Cl6—O17A	72.7 (4)
N6—Co2—Cl2	93.75 (9)	O18A—Cl6—O17A	100.9 (5)
N5—Co2—Cl2	178.05 (10)	O15—Cl6—O17A	108.3 (4)
O2—Co2—Cl2	92.57 (7)	O16—Cl6—O18B	81.8 (5)
N7—Co2—Cl2	93.56 (9)	O17B—Cl6—O18B	92.0 (5)
N5—C9—C10	107.6 (3)	O18A—Cl6—O18B	58.7 (6)
N6—C10—C9	107.4 (3)	O15—Cl6—O18B	103.8 (5)
N5—C11—C12	108.2 (3)	O17A—Cl6—O18B	147.3 (5)
N7—C12—C11	107.8 (3)
N2—C1—C2—N1	44.4 (4)	N5—C9—C10—N6	48.4 (4)
N1—C3—C4—N3	−48.6 (4)	N5—C11—C12—N7	−44.7 (4)
N1—C5—C6—N4	−40.6 (4)	N5—C13—C14—N8	41.8 (4)
C4—C3—N1—C2	159.4 (3)	C10—C9—N5—C11	−161.4 (3)
C4—C3—N1—C5	−74.7 (3)	C10—C9—N5—C13	72.9 (4)
C4—C3—N1—Co1	44.6 (3)	C10—C9—N5—Co2	−45.7 (3)
C1—C2—N1—C3	−165.0 (3)	C12—C11—N5—C9	164.4 (3)
C1—C2—N1—C5	69.3 (3)	C12—C11—N5—C13	−70.5 (4)
C1—C2—N1—Co1	−49.4 (3)	C12—C11—N5—Co2	48.5 (4)
C6—C5—N1—C3	136.8 (3)	C14—C13—N5—C9	−138.5 (3)
C6—C5—N1—C2	−96.6 (3)	C14—C13—N5—C11	95.0 (4)
C6—C5—N1—Co1	19.3 (3)	C14—C13—N5—Co2	−21.9 (4)
N4—Co1—N1—C3	−116.1 (2)	N8—Co2—N5—C9	117.4 (2)
O1—Co1—N1—C3	62.7 (2)	N6—Co2—N5—C9	24.3 (2)
N3—Co1—N1—C3	−22.8 (2)	O2—Co2—N5—C9	−60.5 (2)
N2—Co1—N1—C3	151.1 (2)	N7—Co2—N5—C9	−150.2 (2)
Cl1—Co1—N1—C3	−132.2 (19)	Cl2—Co2—N5—C9	134 (3)
N4—Co1—N1—C2	124.0 (2)	N8—Co2—N5—C11	−122.2 (3)
O1—Co1—N1—C2	−57.1 (2)	N6—Co2—N5—C11	144.7 (3)
N3—Co1—N1—C2	−142.6 (2)	O2—Co2—N5—C11	59.9 (3)
N2—Co1—N1—C2	31.3 (2)	N7—Co2—N5—C11	−29.8 (3)
Cl1—Co1—N1—C2	108 (2)	Cl2—Co2—N5—C11	−106 (3)
N4—Co1—N1—C5	4.2 (2)	N8—Co2—N5—C13	−1.9 (2)
O1—Co1—N1—C5	−176.9 (2)	N6—Co2—N5—C13	−94.9 (2)
N3—Co1—N1—C5	97.6 (2)	O2—Co2—N5—C13	−179.7 (2)
N2—Co1—N1—C5	−88.6 (2)	N7—Co2—N5—C13	90.6 (2)
Cl1—Co1—N1—C5	−12 (2)	Cl2—Co2—N5—C13	15 (3)
C2—C1—N2—Co1	−18.4 (4)	C9—C10—N6—Co2	−28.1 (4)
N4—Co1—N2—C1	−93.9 (2)	N8—Co2—N6—C10	−84.4 (3)
O1—Co1—N2—C1	82.7 (2)	N5—Co2—N6—C10	2.3 (3)
N3—Co1—N2—C1	33.0 (9)	O2—Co2—N6—C10	91.9 (3)
N1—Co1—N2—C1	−7.5 (2)	N7—Co2—N6—C10	40.0 (9)
Cl1—Co1—N2—C1	174.9 (2)	Cl2—Co2—N6—C10	−175.9 (2)
C3—C4—N3—Co1	29.3 (4)	C11—C12—N7—Co2	20.0 (4)
N4—Co1—N3—C4	82.7 (2)	N8—Co2—N7—C12	92.3 (3)
O1—Co1—N3—C4	−94.1 (2)	N6—Co2—N7—C12	−32.2 (9)
N1—Co1—N3—C4	−3.8 (2)	N5—Co2—N7—C12	5.5 (3)
N2—Co1—N3—C4	−44.2 (9)	O2—Co2—N7—C12	−83.8 (3)
Cl1—Co1—N3—C4	173.9 (2)	Cl2—Co2—N7—C12	−176.4 (3)
C5—C6—N4—Co1	43.5 (3)	C13—C14—N8—Co2	−42.7 (3)
O1—Co1—N4—C6	−46 (2)	N6—Co2—N8—C14	112.1 (2)
N3—Co1—N4—C6	−113.8 (2)	N5—Co2—N8—C14	25.4 (2)
N1—Co1—N4—C6	−27.1 (2)	O2—Co2—N8—C14	54.6 (17)
N2—Co1—N4—C6	58.6 (2)	N7—Co2—N8—C14	−60.4 (2)
Cl1—Co1—N4—C6	152.2 (2)	Cl2—Co2—N8—C14	−154.0 (2)
N4—Co1—O1—S1	174.9 (18)	N8—Co2—O2—S2	177.1 (15)
N3—Co1—O1—S1	−116.83 (19)	N6—Co2—O2—S2	119.3 (2)
N1—Co1—O1—S1	156.25 (19)	N5—Co2—O2—S2	−153.7 (2)
N2—Co1—O1—S1	70.39 (19)	N7—Co2—O2—S2	−67.8 (2)
Cl1—Co1—O1—S1	−23.13 (18)	Cl2—Co2—O2—S2	25.78 (19)
Co1—O1—S1—C8	101.7 (2)	Co2—O2—S2—C16	−102.4 (2)
Co1—O1—S1—C7	−155.3 (3)	Co2—O2—S2—C15	154.2 (2)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2C···O10^i	0.90	2.13	3.009 (5)	167
N2—H2D···O5^ii	0.90	2.24	3.021 (4)	145
N2—H2D···S1	0.90	2.85	3.379 (3)	119
N3—H3C···O9^iii	0.90	2.65	3.201 (5)	121
N3—H3D···Cl1^iv	0.90	2.51	3.399 (3)	169
N4—H4C···O3	0.90	2.65	3.314 (5)	131
N4—H4C···Cl1^iv	0.90	2.70	3.462 (3)	143
N4—H4D···O9^i	0.90	2.18	3.051 (5)	162
N6—H6C···Cl2^v	0.90	2.53	3.421 (3)	168
N6—H6D···O17A^vi	0.90	2.44	3.040 (9)	124
N7—H7D···O6	0.90	2.21	3.052 (5)	156
N7—H7D···S2	0.90	2.87	3.402 (3)	120
N7—H7E···O18A^iii	0.90	2.07	2.932 (10)	161
N8—H8D···O17B^iii	0.90	2.17	2.940 (7)	144
N8—H8D···O17B^iii	0.90	2.17	2.940 (7)	144
N8—H8D···O17A^iii	0.90	2.31	3.178 (9)	163
N8—H8D···O18A^iii	0.90	2.61	3.334 (10)	139
N8—H8E···O11^vii	0.90	2.47	3.181 (5)	136
N8—H8E···Cl2^v	0.90	2.73	3.472 (3)	141

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