Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso­seleno­cyanato­tris­(2-methyl­pyridine N-oxide)cobalt(II) and diiso­seleno­cyanato­tetra­kis­(2-methyl­pyridine N-oxide)cobalt(II)

The crystal structures of the title compounds, which arose from the same reaction, consist of discrete complexes in which the cobalt cations are either in a CoN₂O₃ trigonal–bipyramidal or a CoN₂O₄ octa­hedral coordination.

Computing details

Diisoselenocyanatotris(2-methylpyridine N-oxide)cobalt(II) (1)

Crystal data

[Co(NCSe)2(C6H7NO)3]	F(000) = 1180
Mr = 596.27	Dx = 1.761 Mg m^−3
Monoclinic, Cc	Cu Kα radiation, λ = 1.54184 Å
a = 12.07686 (6) Å	Cell parameters from 35276 reflections
b = 26.47661 (16) Å	θ = 3.3–79.5°
c = 7.25623 (4) Å	µ = 9.96 mm^−1
β = 104.2765 (5)°	T = 100 K
V = 2248.56 (2) Å^3	Needle, pink
Z = 4	0.18 × 0.06 × 0.04 mm

Data collection

XtaLAB Synergy, Dualflex, HyPix diffractometer	4828 independent reflections
Radiation source: micro-focus sealed X-ray tube, PhotonJet (Cu) X-ray Source	4788 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.035
Detector resolution: 10.0000 pixels mm^-1	θmax = 80.4°, θmin = 3.3°
ω scans	h = −15→15
Absorption correction: multi-scan (CrysAlisPr; Rigaku OD, 2023)	k = −29→33
Tmin = 0.468, Tmax = 1.000	l = −9→9
49619 measured reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.020	w = 1/[σ^2(Fo^2) + (0.0682P)^2 + 0.5399P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.062	(Δ/σ)max = 0.001
S = 0.83	Δρmax = 0.25 e Å^−3
4828 reflections	Δρmin = −0.40 e Å^−3
283 parameters	Absolute structure: Flack x determined using 2302 quotients [(I^+)-(I^-)]/[(I^+)+(I^-)] (Parsons et al., 2013)
2 restraints	Absolute structure parameter: −0.0305 (14)
Primary atom site location: dual

Special details

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

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

	x	y	z	Uiso*/Ueq
Co1	0.63215 (4)	0.86731 (2)	0.79899 (6)	0.01397 (11)
N1	0.4748 (2)	0.83139 (10)	0.7711 (4)	0.0180 (5)
C1	0.3847 (3)	0.82543 (12)	0.7960 (4)	0.0173 (6)
Se1	0.24577 (3)	0.81838 (2)	0.84143 (4)	0.02001 (9)
N2	0.7899 (2)	0.90028 (10)	0.8433 (4)	0.0184 (5)
C2	0.8794 (3)	0.91870 (12)	0.8762 (4)	0.0172 (6)
Se2	1.01804 (3)	0.94751 (2)	0.92765 (4)	0.02230 (10)
O11	0.6860 (2)	0.81331 (8)	0.6514 (4)	0.0209 (5)
N11	0.6102 (2)	0.77961 (10)	0.5563 (4)	0.0169 (5)
C11	0.5986 (3)	0.73433 (12)	0.6337 (4)	0.0173 (6)
C12	0.5201 (3)	0.70021 (12)	0.5273 (4)	0.0185 (6)
H12	0.512002	0.667709	0.577882	0.022*
C13	0.4543 (3)	0.71294 (13)	0.3504 (5)	0.0210 (6)
H13	0.399759	0.689803	0.280355	0.025*
C14	0.4686 (3)	0.76001 (13)	0.2754 (5)	0.0218 (6)
H14	0.423837	0.769563	0.153540	0.026*
C15	0.5483 (3)	0.79260 (12)	0.3801 (5)	0.0204 (6)
H15	0.560187	0.824548	0.328556	0.024*
O21	0.55635 (18)	0.92647 (9)	0.6444 (3)	0.0199 (4)
N21	0.4429 (2)	0.92698 (10)	0.5685 (4)	0.0178 (5)
C21	0.3714 (3)	0.94192 (11)	0.6761 (5)	0.0194 (6)
C22	0.2550 (3)	0.94443 (12)	0.5905 (5)	0.0220 (6)
H22	0.203471	0.955060	0.662840	0.026*
C23	0.2133 (3)	0.93161 (15)	0.4009 (5)	0.0247 (7)
H23	0.133828	0.933923	0.342723	0.030*
C24	0.2889 (3)	0.91531 (13)	0.2967 (5)	0.0236 (7)
H24	0.261750	0.905660	0.167347	0.028*
C25	0.4040 (3)	0.91336 (12)	0.3842 (5)	0.0219 (6)
H25	0.456510	0.902355	0.314261	0.026*
O31	0.6368 (2)	0.86742 (9)	1.0809 (3)	0.0189 (4)
N31	0.7399 (2)	0.87014 (10)	1.2061 (4)	0.0183 (5)
C31	0.7818 (3)	0.91535 (13)	1.2802 (4)	0.0204 (6)
C32	0.8872 (3)	0.91558 (14)	1.4123 (5)	0.0237 (7)
H32	0.918537	0.946696	1.466300	0.028*
C33	0.9469 (3)	0.87135 (15)	1.4660 (5)	0.0250 (7)
H33	1.018835	0.871934	1.556260	0.030*
C34	0.9007 (3)	0.82600 (14)	1.3865 (5)	0.0237 (7)
H34	0.940708	0.795231	1.421995	0.028*
C35	0.7968 (3)	0.82592 (13)	1.2565 (5)	0.0207 (6)
H35	0.764512	0.795027	1.201666	0.025*
C36	0.7123 (3)	0.96119 (14)	1.2166 (5)	0.0272 (7)
H36A	0.641642	0.959482	1.259800	0.041*
H36B	0.693531	0.963154	1.077488	0.041*
H36C	0.755827	0.991225	1.270547	0.041*
C16	0.6698 (3)	0.72386 (14)	0.8287 (5)	0.0254 (7)
H16A	0.648341	0.747113	0.919137	0.038*
H16B	0.750650	0.728605	0.831326	0.038*
H16C	0.657240	0.688988	0.864016	0.038*
C26	0.4234 (3)	0.95514 (13)	0.8779 (5)	0.0240 (7)
H26A	0.481990	0.981121	0.883718	0.036*
H26B	0.458476	0.924982	0.946474	0.036*
H26C	0.364160	0.968028	0.936542	0.036*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0123 (2)	0.0146 (2)	0.0155 (2)	−0.00053 (16)	0.00419 (17)	−0.00040 (16)
N1	0.0142 (12)	0.0190 (12)	0.0223 (12)	−0.0031 (10)	0.0076 (10)	−0.0020 (10)
C1	0.0202 (16)	0.0154 (13)	0.0156 (13)	0.0006 (11)	0.0033 (11)	−0.0004 (10)
Se1	0.01337 (15)	0.02559 (18)	0.02267 (16)	−0.00155 (12)	0.00749 (11)	0.00275 (12)
N2	0.0150 (11)	0.0198 (13)	0.0207 (12)	−0.0042 (9)	0.0052 (9)	−0.0003 (10)
C2	0.0212 (16)	0.0171 (14)	0.0141 (13)	0.0035 (11)	0.0058 (11)	0.0010 (10)
Se2	0.01459 (16)	0.02685 (19)	0.02437 (17)	−0.00539 (12)	0.00272 (12)	−0.00185 (12)
O11	0.0140 (11)	0.0206 (11)	0.0298 (12)	−0.0048 (8)	0.0087 (9)	−0.0088 (9)
N11	0.0111 (11)	0.0182 (13)	0.0229 (12)	−0.0018 (9)	0.0073 (9)	−0.0058 (10)
C11	0.0135 (13)	0.0216 (15)	0.0184 (13)	0.0005 (11)	0.0069 (11)	0.0000 (11)
C12	0.0170 (14)	0.0193 (15)	0.0221 (14)	−0.0012 (11)	0.0102 (11)	−0.0036 (12)
C13	0.0143 (14)	0.0268 (16)	0.0228 (15)	−0.0042 (12)	0.0064 (11)	−0.0062 (12)
C14	0.0169 (14)	0.0283 (17)	0.0210 (14)	0.0041 (12)	0.0061 (11)	0.0007 (12)
C15	0.0202 (14)	0.0180 (14)	0.0256 (15)	0.0042 (12)	0.0107 (12)	0.0025 (12)
O21	0.0115 (10)	0.0198 (11)	0.0272 (11)	−0.0002 (8)	0.0026 (8)	0.0065 (9)
N21	0.0153 (12)	0.0161 (12)	0.0215 (12)	0.0014 (9)	0.0035 (10)	0.0044 (10)
C21	0.0219 (16)	0.0151 (14)	0.0211 (15)	0.0015 (11)	0.0050 (13)	0.0021 (11)
C22	0.0188 (16)	0.0219 (16)	0.0264 (16)	0.0005 (11)	0.0075 (13)	0.0056 (11)
C23	0.0162 (14)	0.0279 (17)	0.0272 (16)	−0.0020 (13)	0.0001 (12)	0.0065 (13)
C24	0.0243 (16)	0.0250 (17)	0.0198 (14)	−0.0025 (13)	0.0021 (12)	0.0012 (12)
C25	0.0244 (15)	0.0221 (15)	0.0204 (14)	0.0045 (13)	0.0076 (12)	0.0034 (12)
O31	0.0143 (10)	0.0262 (12)	0.0154 (10)	−0.0044 (8)	0.0018 (8)	0.0000 (8)
N31	0.0160 (12)	0.0242 (14)	0.0153 (11)	−0.0008 (10)	0.0048 (10)	0.0015 (9)
C31	0.0212 (15)	0.0237 (16)	0.0174 (14)	−0.0062 (12)	0.0067 (12)	−0.0021 (11)
C32	0.0224 (16)	0.0298 (17)	0.0195 (14)	−0.0063 (12)	0.0061 (12)	−0.0021 (12)
C33	0.0192 (15)	0.038 (2)	0.0167 (14)	−0.0049 (13)	0.0031 (12)	0.0019 (13)
C34	0.0199 (15)	0.0302 (17)	0.0225 (15)	0.0053 (13)	0.0082 (12)	0.0067 (13)
C35	0.0235 (16)	0.0216 (15)	0.0187 (14)	−0.0017 (12)	0.0082 (12)	0.0004 (11)
C36	0.0259 (17)	0.0233 (17)	0.0313 (17)	−0.0018 (14)	0.0050 (14)	−0.0060 (14)
C16	0.0202 (15)	0.0311 (18)	0.0235 (16)	−0.0011 (12)	0.0029 (12)	0.0015 (13)
C26	0.0269 (18)	0.0223 (15)	0.0217 (15)	0.0038 (13)	0.0041 (13)	0.0004 (12)

Geometric parameters (Å, º)

Co1—N1	2.090 (3)	C22—C23	1.385 (5)
Co1—N2	2.047 (3)	C23—H23	0.9500
Co1—O11	1.989 (2)	C23—C24	1.390 (5)
Co1—O21	2.011 (2)	C24—H24	0.9500
Co1—O31	2.032 (2)	C24—C25	1.379 (5)
N1—C1	1.157 (4)	C25—H25	0.9500
C1—Se1	1.797 (3)	O31—N31	1.350 (4)
N2—C2	1.156 (4)	N31—C31	1.358 (4)
C2—Se2	1.794 (3)	N31—C35	1.361 (4)
O11—N11	1.341 (3)	C31—C32	1.392 (5)
N11—C11	1.346 (4)	C31—C36	1.483 (5)
N11—C15	1.357 (4)	C32—H32	0.9500
C11—C12	1.397 (4)	C32—C33	1.380 (5)
C11—C16	1.490 (4)	C33—H33	0.9500
C12—H12	0.9500	C33—C34	1.388 (5)
C12—C13	1.374 (5)	C34—H34	0.9500
C13—H13	0.9500	C34—C35	1.371 (5)
C13—C14	1.387 (5)	C35—H35	0.9500
C14—H14	0.9500	C36—H36A	0.9800
C14—C15	1.374 (5)	C36—H36B	0.9800
C15—H15	0.9500	C36—H36C	0.9800
O21—N21	1.345 (3)	C16—H16A	0.9800
N21—C21	1.358 (4)	C16—H16B	0.9800
N21—C25	1.353 (4)	C16—H16C	0.9800
C21—C22	1.392 (5)	C26—H26A	0.9800
C21—C26	1.485 (4)	C26—H26B	0.9800
C22—H22	0.9500	C26—H26C	0.9800
N2—Co1—N1	176.24 (11)	C24—C23—H23	120.4
O11—Co1—N1	91.77 (10)	C23—C24—H24	120.5
O11—Co1—N2	88.63 (10)	C25—C24—C23	119.0 (3)
O11—Co1—O21	115.08 (11)	C25—C24—H24	120.5
O11—Co1—O31	127.68 (10)	N21—C25—C24	120.6 (3)
O21—Co1—N1	91.29 (10)	N21—C25—H25	119.7
O21—Co1—N2	91.92 (10)	C24—C25—H25	119.7
O21—Co1—O31	117.13 (10)	N31—O31—Co1	118.01 (18)
O31—Co1—N1	84.07 (10)	O31—N31—C31	120.3 (3)
O31—Co1—N2	92.72 (10)	O31—N31—C35	117.1 (3)
C1—N1—Co1	156.2 (3)	C31—N31—C35	122.5 (3)
N1—C1—Se1	177.6 (3)	N31—C31—C32	117.7 (3)
C2—N2—Co1	177.2 (2)	N31—C31—C36	118.1 (3)
N2—C2—Se2	179.8 (3)	C32—C31—C36	124.2 (3)
N11—O11—Co1	118.91 (18)	C31—C32—H32	119.5
O11—N11—C11	120.4 (3)	C33—C32—C31	121.1 (3)
O11—N11—C15	117.6 (3)	C33—C32—H32	119.5
C11—N11—C15	121.9 (3)	C32—C33—H33	120.4
N11—C11—C12	118.2 (3)	C32—C33—C34	119.2 (3)
N11—C11—C16	117.8 (3)	C34—C33—H33	120.4
C12—C11—C16	124.0 (3)	C33—C34—H34	120.2
C11—C12—H12	119.5	C35—C34—C33	119.6 (3)
C13—C12—C11	121.0 (3)	C35—C34—H34	120.2
C13—C12—H12	119.5	N31—C35—C34	119.9 (3)
C12—C13—H13	120.4	N31—C35—H35	120.0
C12—C13—C14	119.2 (3)	C34—C35—H35	120.0
C14—C13—H13	120.4	C31—C36—H36A	109.5
C13—C14—H14	120.5	C31—C36—H36B	109.5
C15—C14—C13	119.0 (3)	C31—C36—H36C	109.5
C15—C14—H14	120.5	H36A—C36—H36B	109.5
N11—C15—C14	120.7 (3)	H36A—C36—H36C	109.5
N11—C15—H15	119.7	H36B—C36—H36C	109.5
C14—C15—H15	119.7	C11—C16—H16A	109.5
N21—O21—Co1	120.92 (18)	C11—C16—H16B	109.5
O21—N21—C21	119.7 (3)	C11—C16—H16C	109.5
O21—N21—C25	118.2 (3)	H16A—C16—H16B	109.5
C21—N21—C25	122.1 (3)	H16A—C16—H16C	109.5
N21—C21—C22	118.2 (3)	H16B—C16—H16C	109.5
N21—C21—C26	117.5 (3)	C21—C26—H26A	109.5
C22—C21—C26	124.3 (3)	C21—C26—H26B	109.5
C21—C22—H22	119.6	C21—C26—H26C	109.5
C23—C22—C21	120.8 (3)	H26A—C26—H26B	109.5
C23—C22—H22	119.6	H26A—C26—H26C	109.5
C22—C23—H23	120.4	H26B—C26—H26C	109.5
C22—C23—C24	119.3 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C14—H14···Se1^i	0.95	3.00	3.920 (3)	163
C15—H15···O31^i	0.95	2.49	3.305 (4)	144
C32—H32···Se2^ii	0.95	3.09	3.945 (4)	151
C26—H26B···O31	0.98	2.62	3.511 (4)	151

Symmetry codes: (i) x, y, z−1; (ii) x, −y+2, z+1/2.

Diisoselenocyanatotetrakis(2-methylpyridine N-oxide)cobalt(II) (2)

Crystal data

[Co(NCSe)2(C6H7NO)4]	F(000) = 2824
Mr = 705.39	Dx = 1.614 Mg m^−3
Monoclinic, P21/n	Cu Kα radiation, λ = 1.54184 Å
a = 9.3825 (1) Å	Cell parameters from 27892 reflections
b = 39.9164 (3) Å	θ = 3.1–79.1°
c = 15.9920 (1) Å	µ = 7.86 mm^−1
β = 104.217 (1)°	T = 100 K
V = 5805.82 (9) Å^3	Block, pink
Z = 8	0.16 × 0.14 × 0.12 mm

Data collection

XtaLAB Synergy, Dualflex, HyPix diffractometer	11937 independent reflections
Radiation source: micro-focus sealed X-ray tube, PhotonJet (Cu) X-ray Source	11197 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.020
Detector resolution: 10.0000 pixels mm^-1	θmax = 80.4°, θmin = 2.2°
ω scans	h = −7→11
Absorption correction: multi-scan (CrysAlisPro; Rigaku OD, 2023)	k = −49→50
Tmin = 0.489, Tmax = 0.596	l = −20→20
41815 measured reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.038	H-atom parameters constrained
wR(F^2) = 0.109	w = 1/[σ^2(Fo^2) + (0.0611P)^2 + 6.3002P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.003
11937 reflections	Δρmax = 1.76 e Å^−3
711 parameters	Δρmin = −0.67 e Å^−3
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.

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

	x	y	z	Uiso*/Ueq
Co1	0.85687 (5)	0.30073 (2)	0.25349 (3)	0.03255 (11)
N1	0.7045 (3)	0.30528 (7)	0.32998 (18)	0.0439 (6)
C1	0.6211 (3)	0.30086 (8)	0.37078 (19)	0.0398 (6)
Se1	0.48879 (4)	0.29344 (2)	0.43375 (2)	0.04996 (10)
N2	0.8337 (3)	0.35121 (7)	0.21658 (19)	0.0467 (6)
C2	0.7640 (3)	0.37377 (7)	0.18443 (19)	0.0375 (6)
Se2	0.65659 (3)	0.40942 (2)	0.13745 (2)	0.04001 (9)
O11	0.6964 (2)	0.29141 (6)	0.13849 (13)	0.0414 (5)
N11	0.5621 (2)	0.27903 (6)	0.12825 (15)	0.0346 (5)
C11	0.4567 (3)	0.28858 (8)	0.05670 (19)	0.0398 (6)
C12	0.3196 (3)	0.27392 (8)	0.0426 (2)	0.0431 (7)
H12	0.246440	0.279411	−0.008091	0.052*
C13	0.2868 (3)	0.25143 (8)	0.1007 (2)	0.0465 (7)
H13	0.191510	0.241859	0.091308	0.056*
C14	0.3960 (3)	0.24317 (8)	0.1730 (2)	0.0447 (7)
H14	0.375413	0.227885	0.213985	0.054*
C15	0.5335 (3)	0.25683 (7)	0.1859 (2)	0.0390 (6)
H15	0.608527	0.250736	0.235095	0.047*
C16	0.4994 (4)	0.31461 (11)	0.0004 (2)	0.0534 (9)
H16A	0.535110	0.334590	0.034815	0.080*
H16B	0.413754	0.320524	−0.046059	0.080*
H16C	0.577394	0.305811	−0.024481	0.080*
O21	0.8669 (2)	0.25020 (6)	0.28634 (16)	0.0469 (5)
N21	0.9700 (3)	0.23026 (6)	0.27081 (16)	0.0373 (5)
C21	0.9424 (5)	0.20957 (10)	0.2003 (2)	0.0566 (9)
C22	1.0556 (6)	0.18664 (9)	0.1935 (3)	0.0640 (12)
H22	1.038070	0.171341	0.146527	0.077*
C23	1.1853 (5)	0.18606 (10)	0.2511 (3)	0.0663 (11)
H23	1.259130	0.170516	0.245622	0.080*
C24	1.2092 (5)	0.20788 (11)	0.3168 (3)	0.0611 (10)
H24	1.302134	0.208032	0.357349	0.073*
C25	1.1028 (4)	0.22996 (9)	0.3268 (2)	0.0445 (7)
H25	1.123087	0.245224	0.373844	0.053*
C26	0.8030 (5)	0.21089 (12)	0.1372 (3)	0.0676 (11)
H26A	0.724731	0.203455	0.163751	0.101*
H26B	0.806154	0.196186	0.088647	0.101*
H26C	0.783446	0.233942	0.116457	0.101*
O31	1.0078 (2)	0.28863 (5)	0.18030 (12)	0.0339 (4)
N31	1.1007 (2)	0.31146 (6)	0.16405 (14)	0.0305 (4)
C31	1.0651 (3)	0.32881 (7)	0.08905 (17)	0.0332 (5)
C32	1.1666 (3)	0.35134 (7)	0.07174 (19)	0.0370 (6)
H32	1.142666	0.363892	0.019694	0.044*
C33	1.3017 (3)	0.35587 (7)	0.12868 (19)	0.0373 (6)
H33	1.370726	0.371318	0.116247	0.045*
C34	1.3349 (3)	0.33734 (7)	0.20473 (19)	0.0360 (6)
H34	1.427367	0.339968	0.244894	0.043*
C35	1.2331 (3)	0.31525 (7)	0.22133 (18)	0.0337 (5)
H35	1.255339	0.302541	0.273140	0.040*
C36	0.9211 (3)	0.32107 (9)	0.02853 (19)	0.0432 (7)
H36A	0.916201	0.297105	0.014824	0.065*
H36B	0.911002	0.334061	−0.024614	0.065*
H36C	0.841353	0.326956	0.055521	0.065*
O41	1.0443 (3)	0.31159 (7)	0.35059 (15)	0.0514 (6)
N41	1.0439 (3)	0.32764 (7)	0.42399 (16)	0.0446 (6)
C41	1.1138 (4)	0.35725 (9)	0.4411 (2)	0.0446 (7)
C42	1.1179 (4)	0.37286 (9)	0.5191 (2)	0.0526 (8)
H42	1.169421	0.393427	0.532417	0.063*
C43	1.0484 (5)	0.35906 (10)	0.5778 (2)	0.0624 (10)
H43	1.050575	0.370045	0.630794	0.075*
C44	0.9753 (5)	0.32870 (10)	0.5574 (2)	0.0605 (10)
H44	0.925918	0.318749	0.596364	0.073*
C45	0.9748 (4)	0.31314 (10)	0.4806 (2)	0.0512 (8)
H45	0.926239	0.292243	0.466866	0.061*
C46	1.1844 (4)	0.37162 (10)	0.3753 (2)	0.0529 (8)
H46A	1.268379	0.357690	0.371152	0.079*
H46B	1.218275	0.394423	0.392139	0.079*
H46C	1.112834	0.372203	0.319137	0.079*
Co2	0.05490 (5)	0.55048 (2)	0.26790 (3)	0.03372 (11)
N3	−0.1122 (3)	0.55122 (7)	0.33403 (17)	0.0399 (5)
C3	−0.1889 (3)	0.54722 (7)	0.37930 (19)	0.0366 (6)
Se3	−0.30340 (4)	0.54154 (2)	0.45399 (2)	0.04069 (9)
N4	0.0266 (3)	0.60176 (7)	0.23483 (17)	0.0417 (6)
C4	−0.0233 (3)	0.62762 (8)	0.21203 (18)	0.0364 (6)
Se4	−0.10390 (4)	0.66802 (2)	0.17864 (2)	0.04073 (9)
O51	−0.0877 (2)	0.53873 (6)	0.14900 (14)	0.0443 (5)
N51	−0.2280 (3)	0.53048 (6)	0.13995 (16)	0.0372 (5)
C51	−0.3329 (3)	0.54714 (7)	0.08062 (19)	0.0374 (6)
C52	−0.4772 (3)	0.53760 (8)	0.06833 (19)	0.0385 (6)
H52	−0.550788	0.548674	0.025880	0.046*
C53	−0.5174 (3)	0.51215 (8)	0.1167 (2)	0.0413 (6)
H53	−0.617456	0.505829	0.108496	0.050*
C54	−0.4072 (4)	0.49608 (8)	0.1776 (2)	0.0425 (7)
H54	−0.431603	0.478620	0.211947	0.051*
C55	−0.2633 (4)	0.50544 (8)	0.1879 (2)	0.0424 (7)
H55	−0.188053	0.494262	0.229107	0.051*
C56	−0.2814 (4)	0.57487 (9)	0.0324 (2)	0.0527 (8)
H56A	−0.224618	0.591042	0.073505	0.079*
H56B	−0.366620	0.586115	−0.004755	0.079*
H56C	−0.219314	0.565636	−0.003085	0.079*
O61	0.0747 (2)	0.49913 (5)	0.29973 (13)	0.0359 (4)
N61	0.1925 (3)	0.48096 (6)	0.29677 (15)	0.0338 (5)
C61	0.1780 (4)	0.45543 (9)	0.2397 (2)	0.0499 (8)
C62	0.2985 (4)	0.43517 (9)	0.2418 (3)	0.0577 (9)
H62	0.289413	0.417190	0.201929	0.069*
C63	0.4301 (4)	0.44036 (8)	0.2998 (2)	0.0482 (8)
H63	0.510759	0.425707	0.302108	0.058*
C64	0.4434 (4)	0.46748 (9)	0.3553 (2)	0.0456 (7)
H64	0.534361	0.472043	0.395294	0.055*
C65	0.3234 (3)	0.48773 (8)	0.35187 (19)	0.0401 (6)
H65	0.332637	0.506706	0.388678	0.048*
C66	0.0321 (5)	0.45120 (16)	0.1783 (4)	0.098 (2)
H66A	−0.041594	0.445915	0.210397	0.147*
H66B	0.036981	0.432891	0.138290	0.147*
H66C	0.004750	0.472002	0.145805	0.147*
O71	0.2211 (2)	0.54389 (5)	0.20202 (13)	0.0365 (4)
N71	0.3090 (3)	0.56936 (6)	0.19452 (15)	0.0340 (5)
C71	0.2769 (3)	0.58840 (7)	0.12162 (18)	0.0362 (6)
C72	0.3756 (3)	0.61346 (8)	0.1133 (2)	0.0403 (6)
H72	0.355116	0.627086	0.063102	0.048*
C73	0.5027 (3)	0.61885 (8)	0.1768 (2)	0.0409 (6)
H73	0.569491	0.636000	0.170536	0.049*
C74	0.5312 (3)	0.59888 (8)	0.2498 (2)	0.0402 (6)
H74	0.618290	0.602127	0.294180	0.048*
C75	0.4328 (3)	0.57434 (7)	0.25761 (18)	0.0364 (6)
H75	0.451851	0.560697	0.307813	0.044*
C76	0.1424 (3)	0.57984 (9)	0.0544 (2)	0.0442 (7)
H76A	0.149950	0.556819	0.034623	0.066*
H76B	0.131994	0.595263	0.005540	0.066*
H76C	0.056233	0.581794	0.078453	0.066*
O81	0.2256 (2)	0.56159 (5)	0.37630 (13)	0.0377 (4)
N81	0.2060 (3)	0.56779 (6)	0.45506 (15)	0.0344 (5)
C81	0.2607 (4)	0.59684 (8)	0.4944 (2)	0.0445 (7)
C82	0.2398 (4)	0.60311 (9)	0.5759 (2)	0.0532 (8)
H82	0.275400	0.623445	0.604265	0.064*
C83	0.1686 (4)	0.58051 (9)	0.6165 (2)	0.0493 (8)
H83	0.154145	0.585270	0.672016	0.059*
C84	0.1182 (3)	0.55068 (8)	0.57515 (19)	0.0414 (7)
H84	0.070081	0.534572	0.602321	0.050*
C85	0.1390 (3)	0.54478 (7)	0.49424 (19)	0.0361 (6)
H85	0.105963	0.524319	0.465635	0.043*
C86	0.3388 (5)	0.61941 (10)	0.4461 (3)	0.0604 (10)
H86A	0.425429	0.607893	0.436153	0.091*
H86B	0.369744	0.639797	0.479800	0.091*
H86C	0.272588	0.625365	0.390545	0.091*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0293 (2)	0.0352 (2)	0.0326 (2)	−0.00107 (18)	0.00656 (18)	−0.00012 (18)
N1	0.0374 (14)	0.0524 (15)	0.0443 (14)	−0.0012 (11)	0.0144 (11)	−0.0022 (12)
C1	0.0345 (15)	0.0467 (16)	0.0352 (14)	0.0014 (12)	0.0029 (12)	−0.0006 (12)
Se1	0.03537 (18)	0.0772 (3)	0.03717 (17)	0.00101 (16)	0.00861 (13)	0.00799 (16)
N2	0.0508 (16)	0.0349 (13)	0.0565 (16)	0.0015 (12)	0.0173 (13)	0.0009 (12)
C2	0.0350 (15)	0.0401 (15)	0.0394 (14)	−0.0072 (12)	0.0130 (12)	−0.0054 (12)
Se2	0.03332 (16)	0.04557 (17)	0.03953 (16)	0.00037 (12)	0.00586 (12)	0.00369 (13)
O11	0.0252 (10)	0.0594 (13)	0.0384 (10)	−0.0092 (9)	0.0053 (8)	0.0014 (9)
N11	0.0258 (11)	0.0396 (12)	0.0383 (12)	−0.0030 (9)	0.0080 (9)	−0.0060 (10)
C11	0.0323 (15)	0.0492 (16)	0.0377 (14)	−0.0002 (12)	0.0081 (11)	−0.0080 (13)
C12	0.0297 (15)	0.0510 (17)	0.0459 (16)	0.0020 (12)	0.0039 (12)	−0.0121 (14)
C13	0.0300 (15)	0.0416 (16)	0.067 (2)	−0.0044 (12)	0.0099 (14)	−0.0127 (15)
C14	0.0352 (16)	0.0343 (14)	0.065 (2)	−0.0014 (12)	0.0143 (14)	−0.0021 (14)
C15	0.0295 (14)	0.0368 (14)	0.0508 (17)	0.0009 (11)	0.0098 (12)	−0.0024 (12)
C16	0.0357 (16)	0.084 (3)	0.0388 (16)	−0.0021 (16)	0.0054 (13)	0.0087 (16)
O21	0.0314 (11)	0.0444 (12)	0.0667 (15)	0.0046 (9)	0.0153 (10)	0.0183 (11)
N21	0.0359 (13)	0.0325 (11)	0.0430 (13)	−0.0004 (9)	0.0087 (10)	0.0075 (10)
C21	0.064 (2)	0.056 (2)	0.0451 (18)	−0.0266 (18)	0.0046 (16)	0.0075 (15)
C22	0.094 (3)	0.0383 (17)	0.076 (3)	−0.0175 (19)	0.053 (3)	−0.0129 (17)
C23	0.079 (3)	0.049 (2)	0.082 (3)	0.013 (2)	0.042 (2)	0.018 (2)
C24	0.058 (2)	0.075 (3)	0.055 (2)	0.0298 (19)	0.0229 (18)	0.0284 (19)
C25	0.0399 (17)	0.0553 (18)	0.0366 (15)	0.0067 (14)	0.0061 (12)	0.0069 (13)
C26	0.050 (2)	0.074 (3)	0.078 (3)	−0.0026 (19)	0.014 (2)	−0.016 (2)
O31	0.0311 (10)	0.0344 (9)	0.0371 (10)	−0.0043 (8)	0.0099 (8)	−0.0001 (8)
N31	0.0272 (11)	0.0329 (11)	0.0316 (11)	−0.0007 (9)	0.0078 (9)	−0.0018 (9)
C31	0.0292 (13)	0.0383 (14)	0.0315 (13)	0.0015 (11)	0.0066 (10)	−0.0002 (11)
C32	0.0371 (15)	0.0378 (14)	0.0376 (14)	0.0008 (11)	0.0120 (11)	0.0037 (11)
C33	0.0342 (14)	0.0367 (14)	0.0434 (15)	−0.0029 (11)	0.0143 (12)	−0.0024 (12)
C34	0.0285 (14)	0.0414 (14)	0.0372 (14)	−0.0016 (11)	0.0062 (11)	−0.0062 (11)
C35	0.0289 (13)	0.0385 (14)	0.0321 (13)	0.0028 (11)	0.0042 (10)	0.0004 (11)
C36	0.0333 (15)	0.0616 (19)	0.0323 (14)	−0.0040 (13)	0.0036 (11)	0.0033 (13)
O41	0.0393 (12)	0.0758 (16)	0.0382 (11)	−0.0101 (11)	0.0080 (9)	−0.0183 (11)
N41	0.0452 (15)	0.0552 (16)	0.0322 (12)	−0.0049 (12)	0.0074 (11)	−0.0044 (11)
C41	0.0459 (17)	0.0533 (18)	0.0338 (14)	−0.0029 (14)	0.0082 (12)	0.0004 (13)
C42	0.066 (2)	0.0513 (19)	0.0411 (17)	−0.0090 (17)	0.0142 (16)	−0.0054 (14)
C43	0.093 (3)	0.062 (2)	0.0349 (16)	−0.011 (2)	0.0193 (18)	−0.0065 (15)
C44	0.082 (3)	0.062 (2)	0.0416 (18)	−0.009 (2)	0.0224 (18)	0.0056 (16)
C45	0.056 (2)	0.058 (2)	0.0395 (16)	−0.0083 (16)	0.0112 (14)	0.0010 (15)
C46	0.052 (2)	0.068 (2)	0.0418 (17)	−0.0070 (17)	0.0171 (15)	−0.0013 (16)
Co2	0.0298 (2)	0.0371 (2)	0.0348 (2)	0.00232 (18)	0.00881 (18)	0.00530 (18)
N3	0.0324 (13)	0.0460 (14)	0.0431 (13)	0.0058 (10)	0.0126 (11)	0.0073 (11)
C3	0.0332 (14)	0.0352 (14)	0.0396 (14)	0.0032 (11)	0.0057 (12)	0.0050 (11)
Se3	0.03533 (17)	0.04521 (18)	0.04398 (17)	0.00154 (13)	0.01443 (13)	0.00795 (13)
N4	0.0429 (14)	0.0413 (13)	0.0428 (13)	0.0078 (11)	0.0143 (11)	0.0071 (11)
C4	0.0339 (14)	0.0448 (15)	0.0315 (13)	−0.0039 (12)	0.0101 (11)	0.0007 (11)
Se4	0.04327 (18)	0.03789 (16)	0.03780 (16)	−0.00041 (13)	0.00378 (13)	0.00388 (12)
O51	0.0297 (10)	0.0599 (13)	0.0411 (11)	−0.0058 (9)	0.0044 (8)	0.0130 (10)
N51	0.0299 (12)	0.0425 (13)	0.0391 (12)	−0.0036 (10)	0.0080 (9)	0.0048 (10)
C51	0.0354 (15)	0.0400 (14)	0.0363 (14)	−0.0005 (12)	0.0079 (11)	0.0040 (12)
C52	0.0336 (15)	0.0420 (15)	0.0391 (15)	0.0017 (12)	0.0075 (12)	−0.0036 (12)
C53	0.0349 (15)	0.0416 (15)	0.0512 (17)	−0.0037 (12)	0.0176 (13)	−0.0086 (13)
C54	0.0442 (17)	0.0371 (14)	0.0504 (17)	−0.0033 (12)	0.0196 (14)	0.0013 (13)
C55	0.0426 (17)	0.0418 (15)	0.0440 (16)	0.0023 (13)	0.0131 (13)	0.0090 (13)
C56	0.0430 (18)	0.060 (2)	0.0491 (18)	−0.0083 (15)	−0.0005 (14)	0.0199 (16)
O61	0.0310 (10)	0.0356 (10)	0.0424 (10)	0.0030 (8)	0.0114 (8)	0.0052 (8)
N61	0.0332 (12)	0.0338 (11)	0.0372 (12)	0.0012 (9)	0.0138 (9)	0.0042 (9)
C61	0.0402 (18)	0.0509 (18)	0.062 (2)	−0.0072 (14)	0.0186 (15)	−0.0162 (16)
C62	0.050 (2)	0.0446 (18)	0.085 (3)	−0.0064 (15)	0.0305 (19)	−0.0185 (18)
C63	0.0441 (18)	0.0400 (16)	0.069 (2)	0.0063 (13)	0.0302 (16)	0.0114 (15)
C64	0.0376 (16)	0.0554 (18)	0.0449 (16)	0.0079 (14)	0.0124 (13)	0.0098 (14)
C65	0.0368 (15)	0.0440 (15)	0.0380 (14)	0.0053 (12)	0.0067 (12)	0.0010 (12)
C66	0.043 (2)	0.128 (5)	0.116 (4)	−0.008 (3)	0.007 (2)	−0.080 (4)
O71	0.0330 (10)	0.0382 (10)	0.0408 (10)	−0.0011 (8)	0.0138 (8)	0.0027 (8)
N71	0.0307 (12)	0.0377 (12)	0.0358 (11)	0.0014 (9)	0.0123 (9)	0.0024 (9)
C71	0.0333 (14)	0.0413 (15)	0.0357 (14)	0.0042 (11)	0.0118 (11)	0.0021 (11)
C72	0.0393 (16)	0.0438 (15)	0.0394 (14)	0.0040 (12)	0.0127 (12)	0.0062 (12)
C73	0.0392 (16)	0.0392 (15)	0.0462 (16)	−0.0008 (12)	0.0142 (13)	0.0022 (13)
C74	0.0322 (15)	0.0482 (16)	0.0396 (15)	0.0016 (12)	0.0075 (12)	−0.0014 (13)
C75	0.0332 (14)	0.0406 (15)	0.0351 (13)	0.0044 (11)	0.0080 (11)	0.0040 (11)
C76	0.0359 (16)	0.0599 (19)	0.0373 (15)	−0.0003 (14)	0.0099 (12)	0.0044 (14)
O81	0.0350 (10)	0.0459 (11)	0.0331 (10)	−0.0007 (8)	0.0103 (8)	−0.0007 (8)
N81	0.0330 (12)	0.0372 (12)	0.0322 (11)	0.0029 (9)	0.0066 (9)	0.0020 (9)
C81	0.0486 (18)	0.0406 (15)	0.0414 (16)	−0.0075 (13)	0.0054 (13)	−0.0007 (13)
C82	0.066 (2)	0.0497 (18)	0.0386 (16)	−0.0079 (16)	0.0022 (15)	−0.0091 (14)
C83	0.054 (2)	0.061 (2)	0.0305 (14)	0.0028 (16)	0.0052 (13)	−0.0016 (14)
C84	0.0346 (15)	0.0523 (17)	0.0355 (14)	0.0044 (13)	0.0049 (12)	0.0092 (13)
C85	0.0314 (14)	0.0367 (14)	0.0382 (14)	0.0017 (11)	0.0046 (11)	0.0043 (11)
C86	0.073 (3)	0.0489 (19)	0.060 (2)	−0.0216 (18)	0.0177 (19)	−0.0026 (17)

Geometric parameters (Å, º)

Co1—N1	2.105 (3)	Co2—N3	2.096 (3)
Co1—N2	2.096 (3)	Co2—N4	2.115 (3)
Co1—O11	2.104 (2)	Co2—O51	2.092 (2)
Co1—O21	2.081 (2)	Co2—O61	2.109 (2)
Co1—O31	2.103 (2)	Co2—O71	2.102 (2)
Co1—O41	2.086 (2)	Co2—O81	2.098 (2)
N1—C1	1.149 (4)	N3—C3	1.150 (4)
C1—Se1	1.805 (3)	C3—Se3	1.806 (3)
N2—C2	1.157 (4)	N4—C4	1.155 (4)
C2—Se2	1.798 (3)	C4—Se4	1.805 (3)
O11—N11	1.325 (3)	O51—N51	1.330 (3)
N11—C11	1.370 (4)	N51—C51	1.361 (4)
N11—C15	1.352 (4)	N51—C55	1.350 (4)
C11—C12	1.380 (4)	C51—C52	1.374 (4)
C11—C16	1.493 (5)	C51—C56	1.495 (4)
C12—H12	0.9500	C52—H52	0.9500
C12—C13	1.380 (5)	C52—C53	1.384 (4)
C13—H13	0.9500	C53—H53	0.9500
C13—C14	1.383 (5)	C53—C54	1.391 (5)
C14—H14	0.9500	C54—H54	0.9500
C14—C15	1.369 (4)	C54—C55	1.371 (5)
C15—H15	0.9500	C55—H55	0.9500
C16—H16A	0.9800	C56—H56A	0.9800
C16—H16B	0.9800	C56—H56B	0.9800
C16—H16C	0.9800	C56—H56C	0.9800
O21—N21	1.322 (3)	O61—N61	1.332 (3)
N21—C21	1.370 (5)	N61—C61	1.353 (4)
N21—C25	1.344 (4)	N61—C65	1.351 (4)
C21—C22	1.426 (6)	C61—C62	1.383 (5)
C21—C26	1.444 (6)	C61—C66	1.485 (6)
C22—H22	0.9500	C62—H62	0.9500
C22—C23	1.334 (7)	C62—C63	1.366 (6)
C23—H23	0.9500	C63—H63	0.9500
C23—C24	1.341 (6)	C63—C64	1.385 (5)
C24—H24	0.9500	C64—H64	0.9500
C24—C25	1.371 (5)	C64—C65	1.376 (4)
C25—H25	0.9500	C65—H65	0.9500
C26—H26A	0.9800	C66—H66A	0.9800
C26—H26B	0.9800	C66—H66B	0.9800
C26—H26C	0.9800	C66—H66C	0.9800
O31—N31	1.330 (3)	O71—N71	1.333 (3)
N31—C31	1.354 (4)	N71—C71	1.362 (4)
N31—C35	1.359 (3)	N71—C75	1.353 (4)
C31—C32	1.386 (4)	C71—C72	1.391 (4)
C31—C36	1.488 (4)	C71—C76	1.483 (4)
C32—H32	0.9500	C72—H72	0.9500
C32—C33	1.379 (4)	C72—C73	1.380 (4)
C33—H33	0.9500	C73—H73	0.9500
C33—C34	1.392 (4)	C73—C74	1.384 (4)
C34—H34	0.9500	C74—H74	0.9500
C34—C35	1.373 (4)	C74—C75	1.373 (4)
C35—H35	0.9500	C75—H75	0.9500
C36—H36A	0.9800	C76—H76A	0.9800
C36—H36B	0.9800	C76—H76B	0.9800
C36—H36C	0.9800	C76—H76C	0.9800
O41—N41	1.338 (3)	O81—N81	1.340 (3)
N41—C41	1.347 (4)	N81—C81	1.358 (4)
N41—C45	1.364 (4)	N81—C85	1.351 (4)
C41—C42	1.386 (4)	C81—C82	1.387 (5)
C41—C46	1.490 (5)	C81—C86	1.491 (5)
C42—H42	0.9500	C82—H82	0.9500
C42—C43	1.382 (5)	C82—C83	1.377 (5)
C43—H43	0.9500	C83—H83	0.9500
C43—C44	1.392 (6)	C83—C84	1.387 (5)
C44—H44	0.9500	C84—H84	0.9500
C44—C45	1.376 (5)	C84—C85	1.375 (4)
C45—H45	0.9500	C85—H85	0.9500
C46—H46A	0.9800	C86—H86A	0.9800
C46—H46B	0.9800	C86—H86B	0.9800
C46—H46C	0.9800	C86—H86C	0.9800
N2—Co1—N1	92.43 (11)	N3—Co2—N4	92.80 (10)
N2—Co1—O11	85.49 (11)	N3—Co2—O61	85.67 (9)
N2—Co1—O31	95.84 (10)	N3—Co2—O71	173.62 (9)
O11—Co1—N1	94.63 (10)	N3—Co2—O81	95.39 (9)
O21—Co1—N1	86.10 (10)	O51—Co2—N3	94.08 (10)
O21—Co1—N2	176.62 (11)	O51—Co2—N4	88.66 (10)
O21—Co1—O11	91.58 (10)	O51—Co2—O61	90.02 (9)
O21—Co1—O31	85.57 (8)	O51—Co2—O71	84.49 (9)
O21—Co1—O41	92.05 (10)	O51—Co2—O81	170.51 (9)
O31—Co1—N1	171.62 (10)	O61—Co2—N4	177.90 (9)
O31—Co1—O11	84.73 (8)	O71—Co2—N4	93.37 (9)
O41—Co1—N1	96.79 (10)	O71—Co2—O61	88.12 (8)
O41—Co1—N2	91.15 (12)	O81—Co2—N4	91.46 (10)
O41—Co1—O11	168.23 (9)	O81—Co2—O61	90.12 (8)
O41—Co1—O31	84.39 (8)	O81—Co2—O71	86.03 (8)
C1—N1—Co1	166.2 (3)	C3—N3—Co2	167.6 (2)
N1—C1—Se1	179.1 (3)	N3—C3—Se3	177.7 (3)
C2—N2—Co1	151.9 (3)	C4—N4—Co2	163.8 (3)
N2—C2—Se2	178.3 (3)	N4—C4—Se4	178.5 (3)
N11—O11—Co1	128.93 (17)	N51—O51—Co2	123.32 (18)
O11—N11—C11	118.0 (2)	O51—N51—C51	118.8 (2)
O11—N11—C15	120.1 (2)	O51—N51—C55	119.7 (2)
C15—N11—C11	121.9 (3)	C55—N51—C51	121.5 (3)
N11—C11—C12	118.1 (3)	N51—C51—C52	118.9 (3)
N11—C11—C16	116.8 (3)	N51—C51—C56	116.8 (3)
C12—C11—C16	125.0 (3)	C52—C51—C56	124.3 (3)
C11—C12—H12	119.4	C51—C52—H52	119.4
C13—C12—C11	121.2 (3)	C51—C52—C53	121.2 (3)
C13—C12—H12	119.4	C53—C52—H52	119.4
C12—C13—H13	120.8	C52—C53—H53	120.9
C12—C13—C14	118.4 (3)	C52—C53—C54	118.2 (3)
C14—C13—H13	120.8	C54—C53—H53	120.9
C13—C14—H14	119.7	C53—C54—H54	120.0
C15—C14—C13	120.6 (3)	C55—C54—C53	120.0 (3)
C15—C14—H14	119.7	C55—C54—H54	120.0
N11—C15—C14	119.7 (3)	N51—C55—C54	120.3 (3)
N11—C15—H15	120.1	N51—C55—H55	119.9
C14—C15—H15	120.1	C54—C55—H55	119.9
C11—C16—H16A	109.5	C51—C56—H56A	109.5
C11—C16—H16B	109.5	C51—C56—H56B	109.5
C11—C16—H16C	109.5	C51—C56—H56C	109.5
H16A—C16—H16B	109.5	H56A—C56—H56B	109.5
H16A—C16—H16C	109.5	H56A—C56—H56C	109.5
H16B—C16—H16C	109.5	H56B—C56—H56C	109.5
N21—O21—Co1	121.76 (17)	N61—O61—Co2	123.03 (16)
O21—N21—C21	121.3 (3)	O61—N61—C61	119.2 (3)
O21—N21—C25	118.7 (3)	O61—N61—C65	119.8 (2)
C25—N21—C21	120.0 (3)	C65—N61—C61	121.0 (3)
N21—C21—C22	117.2 (3)	N61—C61—C62	118.5 (3)
N21—C21—C26	120.6 (4)	N61—C61—C66	117.1 (3)
C22—C21—C26	122.3 (4)	C62—C61—C66	124.4 (3)
C21—C22—H22	119.1	C61—C62—H62	119.2
C23—C22—C21	121.9 (4)	C63—C62—C61	121.7 (3)
C23—C22—H22	119.1	C63—C62—H62	119.2
C22—C23—H23	120.7	C62—C63—H63	120.7
C22—C23—C24	118.6 (4)	C62—C63—C64	118.5 (3)
C24—C23—H23	120.7	C64—C63—H63	120.7
C23—C24—H24	119.2	C63—C64—H64	120.4
C23—C24—C25	121.5 (4)	C65—C64—C63	119.3 (3)
C25—C24—H24	119.2	C65—C64—H64	120.4
N21—C25—C24	120.7 (3)	N61—C65—C64	120.8 (3)
N21—C25—H25	119.6	N61—C65—H65	119.6
C24—C25—H25	119.6	C64—C65—H65	119.6
C21—C26—H26A	109.5	C61—C66—H66A	109.5
C21—C26—H26B	109.5	C61—C66—H66B	109.5
C21—C26—H26C	109.5	C61—C66—H66C	109.5
H26A—C26—H26B	109.5	H66A—C66—H66B	109.5
H26A—C26—H26C	109.5	H66A—C66—H66C	109.5
H26B—C26—H26C	109.5	H66B—C66—H66C	109.5
N31—O31—Co1	120.96 (15)	N71—O71—Co2	120.08 (16)
O31—N31—C31	119.5 (2)	O71—N71—C71	119.4 (2)
O31—N31—C35	118.6 (2)	O71—N71—C75	118.8 (2)
C31—N31—C35	121.7 (2)	C75—N71—C71	121.7 (3)
N31—C31—C32	118.5 (3)	N71—C71—C72	118.0 (3)
N31—C31—C36	117.2 (3)	N71—C71—C76	117.5 (3)
C32—C31—C36	124.3 (3)	C72—C71—C76	124.4 (3)
C31—C32—H32	119.4	C71—C72—H72	119.4
C33—C32—C31	121.2 (3)	C73—C72—C71	121.2 (3)
C33—C32—H32	119.4	C73—C72—H72	119.4
C32—C33—H33	120.7	C72—C73—H73	120.5
C32—C33—C34	118.7 (3)	C72—C73—C74	118.9 (3)
C34—C33—H33	120.7	C74—C73—H73	120.5
C33—C34—H34	120.2	C73—C74—H74	120.3
C35—C34—C33	119.6 (3)	C75—C74—C73	119.5 (3)
C35—C34—H34	120.2	C75—C74—H74	120.3
N31—C35—C34	120.4 (3)	N71—C75—C74	120.7 (3)
N31—C35—H35	119.8	N71—C75—H75	119.6
C34—C35—H35	119.8	C74—C75—H75	119.6
C31—C36—H36A	109.5	C71—C76—H76A	109.5
C31—C36—H36B	109.5	C71—C76—H76B	109.5
C31—C36—H36C	109.5	C71—C76—H76C	109.5
H36A—C36—H36B	109.5	H76A—C76—H76B	109.5
H36A—C36—H36C	109.5	H76A—C76—H76C	109.5
H36B—C36—H36C	109.5	H76B—C76—H76C	109.5
N41—O41—Co1	124.68 (19)	N81—O81—Co2	124.24 (16)
O41—N41—C41	119.5 (3)	O81—N81—C81	118.0 (2)
O41—N41—C45	118.9 (3)	O81—N81—C85	119.8 (2)
C41—N41—C45	121.6 (3)	C85—N81—C81	122.1 (3)
N41—C41—C42	118.8 (3)	N81—C81—C82	117.7 (3)
N41—C41—C46	118.2 (3)	N81—C81—C86	117.0 (3)
C42—C41—C46	123.0 (3)	C82—C81—C86	125.4 (3)
C41—C42—H42	119.4	C81—C82—H82	119.3
C43—C42—C41	121.2 (3)	C83—C82—C81	121.5 (3)
C43—C42—H42	119.4	C83—C82—H82	119.3
C42—C43—H43	120.8	C82—C83—H83	120.5
C42—C43—C44	118.4 (3)	C82—C83—C84	119.1 (3)
C44—C43—H43	120.8	C84—C83—H83	120.5
C43—C44—H44	120.1	C83—C84—H84	120.5
C45—C44—C43	119.7 (3)	C85—C84—C83	119.0 (3)
C45—C44—H44	120.1	C85—C84—H84	120.5
N41—C45—C44	120.2 (3)	N81—C85—C84	120.6 (3)
N41—C45—H45	119.9	N81—C85—H85	119.7
C44—C45—H45	119.9	C84—C85—H85	119.7
C41—C46—H46A	109.5	C81—C86—H86A	109.5
C41—C46—H46B	109.5	C81—C86—H86B	109.5
C41—C46—H46C	109.5	C81—C86—H86C	109.5
H46A—C46—H46B	109.5	H86A—C86—H86B	109.5
H46A—C46—H46C	109.5	H86A—C86—H86C	109.5
H46B—C46—H46C	109.5	H86B—C86—H86C	109.5
Co1—O11—N11—C11	151.0 (2)	Co2—O51—N51—C51	128.0 (2)
Co1—O11—N11—C15	−31.1 (4)	Co2—O51—N51—C55	−53.5 (4)
Co1—O21—N21—C21	−99.2 (3)	Co2—O61—N61—C61	−115.5 (3)
Co1—O21—N21—C25	82.3 (3)	Co2—O61—N61—C65	66.0 (3)
Co1—O31—N31—C31	−95.3 (2)	Co2—O71—N71—C71	−95.9 (3)
Co1—O31—N31—C35	88.6 (3)	Co2—O71—N71—C75	88.0 (3)
Co1—O41—N41—C41	−117.7 (3)	Co2—O81—N81—C81	−125.5 (2)
Co1—O41—N41—C45	63.6 (4)	Co2—O81—N81—C85	57.2 (3)
O11—N11—C11—C12	175.4 (3)	O51—N51—C51—C52	177.0 (3)
O11—N11—C11—C16	−5.4 (4)	O51—N51—C51—C56	−2.7 (4)
O11—N11—C15—C14	−177.4 (3)	O51—N51—C55—C54	−178.2 (3)
N11—C11—C12—C13	3.0 (5)	N51—C51—C52—C53	1.8 (5)
C11—N11—C15—C14	0.3 (4)	C51—N51—C55—C54	0.2 (5)
C11—C12—C13—C14	−1.6 (5)	C51—C52—C53—C54	−0.8 (5)
C12—C13—C14—C15	−0.5 (5)	C52—C53—C54—C55	−0.4 (5)
C13—C14—C15—N11	1.1 (5)	C53—C54—C55—N51	0.7 (5)
C15—N11—C11—C12	−2.4 (4)	C55—N51—C51—C52	−1.5 (5)
C15—N11—C11—C16	176.8 (3)	C55—N51—C51—C56	178.8 (3)
C16—C11—C12—C13	−176.1 (3)	C56—C51—C52—C53	−178.5 (3)
O21—N21—C21—C22	−174.0 (3)	O61—N61—C61—C62	−175.1 (3)
O21—N21—C21—C26	4.8 (5)	O61—N61—C61—C66	5.1 (5)
O21—N21—C25—C24	175.0 (3)	O61—N61—C65—C64	174.1 (3)
N21—C21—C22—C23	−2.6 (5)	N61—C61—C62—C63	0.1 (6)
C21—N21—C25—C24	−3.5 (5)	C61—N61—C65—C64	−4.3 (5)
C21—C22—C23—C24	−0.4 (6)	C61—C62—C63—C64	−2.5 (6)
C22—C23—C24—C25	1.5 (6)	C62—C63—C64—C65	1.7 (5)
C23—C24—C25—N21	0.4 (6)	C63—C64—C65—N61	1.7 (5)
C25—N21—C21—C22	4.5 (4)	C65—N61—C61—C62	3.4 (5)
C25—N21—C21—C26	−176.7 (3)	C65—N61—C61—C66	−176.5 (4)
C26—C21—C22—C23	178.6 (4)	C66—C61—C62—C63	179.9 (5)
O31—N31—C31—C32	−177.0 (2)	O71—N71—C71—C72	−176.0 (2)
O31—N31—C31—C36	0.1 (4)	O71—N71—C71—C76	1.0 (4)
O31—N31—C35—C34	176.7 (2)	O71—N71—C75—C74	175.7 (3)
N31—C31—C32—C33	0.8 (4)	N71—C71—C72—C73	0.2 (4)
C31—N31—C35—C34	0.7 (4)	C71—N71—C75—C74	−0.3 (4)
C31—C32—C33—C34	−0.2 (4)	C71—C72—C73—C74	−0.1 (5)
C32—C33—C34—C35	−0.2 (4)	C72—C73—C74—C75	−0.2 (5)
C33—C34—C35—N31	−0.1 (4)	C73—C74—C75—N71	0.4 (5)
C35—N31—C31—C32	−1.1 (4)	C75—N71—C71—C72	0.0 (4)
C35—N31—C31—C36	176.1 (3)	C75—N71—C71—C76	176.9 (3)
C36—C31—C32—C33	−176.2 (3)	C76—C71—C72—C73	−176.5 (3)
O41—N41—C41—C42	−177.2 (3)	O81—N81—C81—C82	179.9 (3)
O41—N41—C41—C46	2.4 (5)	O81—N81—C81—C86	−0.2 (4)
O41—N41—C45—C44	178.6 (3)	O81—N81—C85—C84	179.9 (3)
N41—C41—C42—C43	−1.8 (6)	N81—C81—C82—C83	1.2 (5)
C41—N41—C45—C44	0.0 (6)	C81—N81—C85—C84	2.7 (4)
C41—C42—C43—C44	0.8 (7)	C81—C82—C83—C84	0.7 (6)
C42—C43—C44—C45	0.5 (7)	C82—C83—C84—C85	−0.9 (5)
C43—C44—C45—N41	−1.0 (6)	C83—C84—C85—N81	−0.7 (4)
C45—N41—C41—C42	1.4 (5)	C85—N81—C81—C82	−2.9 (5)
C45—N41—C41—C46	−179.0 (3)	C85—N81—C81—C86	177.0 (3)
C46—C41—C42—C43	178.6 (4)	C86—C81—C82—C83	−178.7 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C15—H15···O21	0.95	2.36	3.158 (4)	141
C26—H26C···O11	0.98	2.49	3.367 (5)	149
C35—H35···Se1^i	0.95	2.96	3.748 (3)	141
C36—H36C···O11	0.98	2.55	3.281 (4)	131
C42—H42···Se3^ii	0.95	2.87	3.811 (4)	171
C52—H52···Se2^iii	0.95	3.05	3.926 (3)	153
C55—H55···O61	0.95	2.45	3.245 (4)	141
C56—H56B···Se2^iii	0.98	3.02	3.933 (3)	156
C65—H65···O81	0.95	2.40	3.140 (4)	135
C66—H66A···Se2^iv	0.98	3.14	3.807 (5)	126
C75—H75···Se3^i	0.95	2.95	3.726 (3)	140
C75—H75···O81	0.95	2.62	3.075 (3)	110
C76—H76C···O51	0.98	2.61	3.354 (4)	133
C86—H86B···Se1^ii	0.98	3.14	4.109 (4)	169

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