Tri­azido­cobalt(III) complexes with tridentate amine ligands

The title compounds, [N-(2-amino­ethyl)-1,3-propane­di­amine-κ³N]­tri­azido­cobalt(III), [Co(N₃)₃(C₅H₁₅N₃)], [N-(2-amino­ethyl)-N-methyl-1,3-propane­di­amine-κ³N]­tri­azido­cobalt(III), [Co(N₃)₃(C₆H₁₇N₃)], [N-(2-amino­propyl)-1,3-pro­pane­di­am­ine-κ³N]­tri­azido­cobalt(III), [Co(N₃)₃(C₆H₁₇N₃)], and [N-(2-amino­propyl)-N-methyl-1,3-pro­pane­di­am­ine-κ³N]triazidocobalt(III), [Co(N₃)₃­(C₇­H₁₉­N₃)], each consist of a Co^III atom, three azide ligands in a meridional configuration and a tridentate amine ligand, namely aepn [N-(2-amino­ethyl)-1,3-propane­di­amine] or dpt [N-(3-amino­propyl)-1,3-pro­pane­di­amine], or their N-methyl­­ated analogs.

Computing details

For all compounds, data collection: CAD-4-PC (Enraf-Nonius, 1989); cell refinement: CAD-4-PC; data reduction: NRCVAX DATRD2 (Le Page & Gabe, 1979); program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL93 (Sheldrick, 1993); molecular graphics: ORTEPIII (Burnett & Johnson, 1996).

(I) Triazido[N-(2-aminoethyl)-1,3-propanediamine]cobalt(III)

Crystal data

[Co(C5H15N3)(N3)3]	F(000) = 624
Mr = 302.22	Dx = 1.678 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 8.795 (4) Å	Cell parameters from 25 reflections
b = 15.958 (5) Å	θ = 6.5–15.1°
c = 8.903 (4) Å	µ = 1.44 mm^−1
β = 106.78 (5)°	T = 293 K
V = 1196.4 (9) Å^3	Brick, dark green
Z = 4	0.49 × 0.20 × 0.18 mm

Data collection

Enraf-Nonius CAD-4 diffractometer	1370 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.042
Graphite monochromator	θmax = 26.0°, θmin = 2.6°
ω–2θ scans	h = −10→10
Absorption correction: ψ scan (NRCVAX ABSORP; Gabe et al., 1989)	k = 0→19
Tmin = 0.456, Tmax = 0.771	l = 0→10
2494 measured reflections	3 standard reflections every 240 min
2342 independent reflections	intensity decay: none

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.052	Hydrogen site location: difference Fourier map
wR(F^2) = 0.125	All H-atom parameters refined
S = 0.95	w = 1/[σ^2(Fo^2) + (0.0891P)^2] where P = (Fo^2 + 2Fc^2)/3
2342 reflections	(Δ/σ)max < 0.001
223 parameters	Δρmax = 1.71 e Å^−3
0 restraints	Δρmin = −0.71 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 on F² for ALL reflections except for 0 with very negative F² or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating _R_factor_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
Co	0.11705 (8)	0.16988 (4)	0.95819 (8)	0.0206 (2)
N1	0.1679 (6)	0.1724 (3)	1.1869 (5)	0.0269 (10)
H1N	0.094 (7)	0.187 (3)	1.224 (6)	0.020 (14)*
H2N	0.247 (8)	0.210 (4)	1.215 (7)	0.05 (2)*
N2	0.2206 (5)	0.0591 (3)	0.9848 (5)	0.0235 (10)
H3N	0.150 (7)	0.031 (4)	0.973 (6)	0.023 (16)*
N3	0.0611 (6)	0.1652 (3)	0.7276 (5)	0.0309 (11)
H4N	−0.037 (7)	0.142 (4)	0.708 (7)	0.032 (17)*
H5N	0.031 (6)	0.216 (3)	0.696 (6)	0.017 (13)*
N4	−0.0806 (5)	0.1108 (3)	0.9514 (6)	0.0301 (10)
N5	0.0111 (5)	0.2787 (3)	0.9365 (6)	0.0348 (12)
N6	0.3234 (5)	0.2202 (3)	0.9791 (5)	0.0300 (10)
N7	−0.2004 (5)	0.1494 (3)	0.9416 (5)	0.0303 (11)
N8	−0.3188 (6)	0.1831 (3)	0.9322 (7)	0.0510 (15)
N9	0.0815 (6)	0.3378 (3)	1.0047 (6)	0.0368 (11)
N10	0.1466 (8)	0.3979 (4)	1.0646 (8)	0.069 (2)
N11	0.3414 (5)	0.2718 (3)	0.8867 (5)	0.0306 (11)
N12	0.3667 (7)	0.3216 (4)	0.8051 (7)	0.0500 (14)
C1	0.2242 (6)	0.0875 (4)	1.2498 (7)	0.0291 (13)
H1C	0.284 (7)	0.088 (4)	1.360 (7)	0.038 (16)*
H2C	0.136 (7)	0.049 (4)	1.247 (6)	0.032 (15)*
C2	0.3197 (6)	0.0532 (3)	1.1517 (6)	0.0285 (12)
H3C	0.412 (6)	0.094 (3)	1.167 (5)	0.020 (13)*
H4C	0.3467 (6)	−0.006 (4)	1.179 (6)	0.029 (14)*
C3	0.3061 (7)	0.0322 (4)	0.8742 (7)	0.0326 (13)
H5C	0.385 (7)	0.068 (4)	0.888 (7)	0.037 (17)*
H6C	0.343 (6)	−0.027 (4)	0.9023 (6)	0.032 (15)*
C4	0.2061 (8)	0.0371 (4)	0.7051 (7)	0.0373 (15)
H7C	0.265 (7)	0.024 (4)	0.640 (8)	0.046 (19)*
H8C	0.121 (9)	0.004 (5)	0.692 (8)	0.06 (2)*
C5	0.1650 (8)	0.1248 (4)	0.6468 (7)	0.0378 (15)
H9C	0.246 (7)	0.156 (4)	0.664 (7)	0.027 (17)*
H10C	0.114 (5)	0.122 (3)	0.540 (6)	0.017 (13)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co	0.0204 (3)	0.0128 (3)	0.0274 (4)	0.0010 (3)	0.0051 (2)	−0.0006 (3)
N1	0.031 (2)	0.019 (2)	0.033 (2)	−0.001 (2)	0.013 (2)	−0.002 (2)
N2	0.023 (2)	0.016 (2)	0.029 (2)	−0.002 (2)	0.005 (2)	0.000 (2)
N3	0.041 (3)	0.022 (3)	0.027 (2)	0.008 (2)	0.004 (2)	0.005 (2)
N4	0.023 (2)	0.017 (2)	0.048 (3)	−0.002 (2)	0.006 (2)	−0.004 (2)
N5	0.033 (3)	0.016 (2)	0.051 (3)	0.003 (2)	0.006 (2)	−0.004 (2)
N6	0.024 (2)	0.029 (3)	0.036 (2)	−0.005 (2)	0.006 (2)	0.005 (2)
N7	0.025 (2)	0.022 (2)	0.042 (3)	−0.002 (2)	0.005 (2)	0.005 (2)
N8	0.029 (3)	0.044 (3)	0.081 (4)	0.012 (2)	0.018 (3)	0.018 (3)
N9	0.047 (3)	0.021 (3)	0.042 (3)	0.005 (2)	0.012 (2)	0.004 (2)
N10	0.093 (5)	0.027 (3)	0.078 (5)	−0.008 (3)	0.008 (4)	−0.017 (3)
N11	0.025 (2)	0.031 (3)	0.034 (2)	−0.006 (2)	0.005 (2)	−0.002 (2)
N12	0.052 (3)	0.051 (4)	0.050 (3)	−0.008 (3)	0.019 (3)	0.016 (3)
C1	0.029 (3)	0.030 (3)	0.028 (3)	−0.004 (2)	0.007 (2)	0.004 (2)
C2	0.031 (3)	0.017 (3)	0.032 (3)	0.001 (2)	0.002 (2)	0.003 (2)
C3	0.033 (3)	0.028 (3)	0.038 (3)	0.004 (3)	0.013 (3)	−0.002 (3)
C4	0.045 (4)	0.032 (3)	0.037 (3)	0.009 (3)	0.015 (3)	−0.005 (3)
C5	0.045 (4)	0.038 (4)	0.029 (3)	0.010 (3)	0.009 (3)	−0.002 (3)

Geometric parameters (Å, º)

Co—N6	1.943 (4)	N6—N11	1.207 (6)
Co—N5	1.954 (4)	N7—N8	1.153 (7)
Co—N1	1.955 (5)	N9—N10	1.165 (7)
Co—N4	1.963 (4)	N11—N12	1.141 (7)
Co—N3	1.970 (5)	C1—C2	1.480 (8)
Co—N2	1.971 (4)	C1—H1C	0.97 (6)
N1—C1	1.495 (7)	C1—H2C	0.99 (6)
N1—H1N	0.85 (6)	C2—H3C	1.01 (5)
N1—H2N	0.90 (7)	C2—H4C	0.99 (6)
N2—C3	1.466 (7)	C3—C4	1.510 (8)
N2—C2	1.493 (7)	C3—H5C	0.88 (6)
N2—H3N	0.74 (6)	C3—H6C	1.01 (6)
N3—C5	1.466 (8)	C4—C5	1.501 (9)
N3—H4N	0.91 (6)	C4—H7C	0.91 (7)
N3—H5N	0.88 (5)	C4—H8C	0.90 (7)
N4—N7	1.202 (6)	C5—H9C	0.84 (6)
N5—N9	1.193 (6)	C5—H10C	0.93 (5)
N6—Co—N5	92.7 (2)	N11—N6—Co	121.3 (4)
N6—Co—N1	88.0 (2)	N8—N7—N4	176.9 (6)
N5—Co—N1	92.5 (2)	N10—N9—N5	176.5 (6)
N6—Co—N4	174.5 (2)	N12—N11—N6	176.1 (5)
N5—Co—N4	91.8 (2)	C2—C1—N1	107.3 (4)
N1—Co—N4	88.6 (2)	C2—C1—H1C	112 (3)
N6—Co—N3	93.5 (2)	N1—C1—H1C	113 (4)
N5—Co—N3	87.8 (2)	C2—C1—H2C	109 (3)
N1—Co—N3	178.4 (2)	N1—C1—H2C	112 (3)
N4—Co—N3	89.8 (2)	H1C—C1—H2C	103 (5)
N6—Co—N2	88.4 (2)	C1—C2—N2	107.2 (4)
N5—Co—N2	178.3 (2)	C1—C2—H3C	105 (3)
N1—Co—N2	86.2 (2)	N2—C2—H3C	108 (4)
N4—Co—N2	87.0 (2)	C1—C2—H4C	110 (3)
N3—Co—N2	93.4 (2)	N2—C2—H4C	110 (3)
C1—N1—Co	108.8 (3)	H3C—C2—H4C	117 (4)
C1—N1—H1N	108 (4)	N2—C3—C4	113.0 (5)
Co—N1—H1N	116 (4)	N2—C3—H5C	104 (4)
C1—N1—H2N	111 (4)	C4—C3—H5C	108 (4)
Co—N1—H2N	103 (4)	N2—C3—H6C	107 (3)
H1N—N1—H2N	109 (6)	C4—C3—H6C	110 (3)
C3—N2—C2	112.6 (4)	H5C—C3—H6C	114 (5)
C3—N2—Co	119.4 (4)	C5—C4—C3	113.9 (5)
C2—N2—Co	107.1 (3)	C5—C4—H7C	97 (4)
C3—N2—H3N	107 (4)	C3—C4—H7C	111 (4)
C2—N2—H3N	109 (4)	C5—C4—H8C	114 (5)
Co—N2—H3N	101 (4)	C3—C4—H8C	109 (4)
C5—N3—Co	121.7 (4)	H7C—C4—H8C	112 (6)
C5—N3—H4N	115 (4)	N3—C5—C4	111.2 (6)
Co—N3—H4N	99 (4)	N3—C5—H9C	105 (4)
C5—N3—H5N	115 (3)	C4—C5—H9C	112 (4)
Co—N3—H5N	105 (3)	N3—C5—H10C	109 (3)
H4N—N3—H5N	97 (5)	C4—C5—H10C	108 (3)
N7—N4—Co	120.4 (4)	H9C—C5—H10C	111 (5)
N9—N5—Co	119.3 (4)

(II) Triazido[N,N-(2-aminoethyl)-methyl-1,3-propanediamine]cobalt(III)

Crystal data

[Co(C6H17N3)(N3)3]	F(000) = 656
Mr = 316.25	Dx = 1.616 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 8.560 (3) Å	Cell parameters from 25 reflections
b = 9.404 (2) Å	θ = 8.1–12.7°
c = 16.149 (4) Å	µ = 1.33 mm^−1
β = 91.65 (3)°	T = 293 K
V = 1299.5 (7) Å^3	Brick, dark green
Z = 4	0.50 × 0.48 × 0.21 mm

Data collection

Enraf-Nonius CAD-4 diffractometer	1851 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.019
Graphite monochromator	θmax = 25.0°, θmin = 2.5°
ω–2θ scans	h = −10→10
Absorption correction: ψ scan (NRCVAX ABSORP; Gabe et al., 1989)	k = 0→11
Tmin = 0.654, Tmax = 0.756	l = 0→19
2357 measured reflections	3 standard reflections every 240 min
2278 independent reflections	intensity decay: none

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.022	Hydrogen site location: difference Fourier map
wR(F^2) = 0.057	All H-atom parameters refined
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0364P)^2 + 0.0998P] where P = (Fo^2 + 2Fc^2)/3
2278 reflections	(Δ/σ)max = −0.009
240 parameters	Δρmax = 0.34 e Å^−3
0 restraints	Δρmin = −0.22 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 on F² for ALL reflections except for 0 with very negative F² or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating _R_factor_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
Co	0.03654 (3)	0.21659 (3)	0.129815 (14)	0.02545 (9)
N1	0.1369 (2)	0.1907 (2)	0.23898 (11)	0.0369 (4)
H1N	0.228 (3)	0.171 (3)	0.2373 (15)	0.047 (7)*
H2N	0.125 (3)	0.270 (3)	0.2643 (16)	0.054 (7)*
N2	−0.1460 (2)	0.1064 (2)	0.17558 (9)	0.0289 (3)
N3	−0.0723 (2)	0.2358 (2)	0.02167 (10)	0.0322 (4)
H3N	−0.022 (3)	0.290 (3)	−0.0076 (15)	0.049 (7)*
H4N	−0.066 (3)	0.157 (3)	0.0010 (14)	0.045 (7)*
N4	0.1332 (2)	0.0445 (2)	0.08478 (10)	0.0368 (4)
N5	0.2200 (2)	0.3255 (2)	0.09835 (12)	0.0469 (5)
N6	−0.0586 (2)	0.3906 (2)	0.17103 (10)	0.0351 (4)
N7	0.2525 (2)	0.0014 (2)	0.11699 (10)	0.0318 (4)
N8	0.3665 (2)	−0.0440 (2)	0.14558 (12)	0.0490 (5)
N9	0.2622 (2)	0.3255 (2)	0.02904 (12)	0.0393 (4)
N10	0.3094 (3)	0.3287 (3)	−0.03648 (14)	0.0718 (7)
N11	0.0008 (2)	0.5048 (2)	0.16284 (10)	0.0322 (4)
N12	0.0501 (2)	0.6180 (2)	0.15798 (13)	0.0503 (5)
C1	0.0519 (3)	0.0842 (3)	0.28720 (14)	0.0457 (5)
H1C	0.087 (3)	−0.011 (3)	0.2670 (15)	0.052 (7)*
H2C	0.067 (3)	0.095 (3)	0.3452 (16)	0.065 (8)*
C2	−0.1194 (3)	0.1086 (3)	0.26746 (12)	0.0405 (5)
H3C	−0.151 (2)	0.207 (2)	0.2868 (12)	0.034 (5)*
H4C	−0.183 (3)	0.037 (3)	0.2936 (14)	0.045 (6)*
C3	−0.3013 (2)	0.1745 (3)	0.15721 (14)	0.0393 (5)
H5C	−0.301 (2)	0.271 (2)	0.1814 (13)	0.035 (5)*
H6C	−0.379 (3)	0.122 (3)	0.1851 (14)	0.049 (6)*
C4	−0.3417 (3)	0.1866 (3)	0.06548 (15)	0.0479 (6)
H7C	−0.339 (2)	0.091 (3)	0.0421 (13)	0.037 (6)*
H8C	−0.443 (4)	0.225 (3)	0.0593 (17)	0.068 (8)*
C5	−0.2376 (3)	0.2839 (3)	0.01880 (14)	0.0433 (5)
H9C	−0.236 (3)	0.378 (3)	0.0381 (15)	0.051 (7)*
H10C	−0.270 (3)	0.290 (3)	−0.0402 (16)	0.053 (7)*
C6	−0.1569 (3)	−0.0446 (2)	0.1478 (2)	0.0440 (5)
H11C	−0.160 (2)	−0.047 (2)	0.0870 (13)	0.037 (6)*
H12C	−0.063 (3)	−0.099 (3)	0.1724 (14)	0.053 (7)*
H13C	−0.257 (3)	−0.080 (3)	0.1675 (15)	0.061 (7)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co	0.02504 (14)	0.02436 (14)	0.02689 (14)	−0.00089 (10)	0.00001 (9)	−0.00342 (10)
N1	0.0338 (10)	0.0421 (11)	0.0343 (9)	0.0041 (8)	−0.0069 (7)	−0.0096 (8)
N2	0.0327 (8)	0.0248 (8)	0.0294 (8)	−0.0012 (6)	0.0032 (6)	−0.0019 (6)
N3	0.0347 (9)	0.0322 (9)	0.0298 (8)	0.0014 (8)	0.0008 (7)	0.0004 (8)
N4	0.0326 (9)	0.0377 (9)	0.0398 (9)	0.0072 (7)	−0.0064 (7)	−0.0110 (7)
N5	0.0408 (10)	0.0514 (11)	0.0492 (11)	−0.0148 (9)	0.0145 (8)	−0.0162 (9)
N6	0.0357 (9)	0.0255 (9)	0.0443 (10)	−0.0027 (7)	0.0060 (7)	−0.0057 (7)
N7	0.0350 (9)	0.0293 (8)	0.0312 (8)	−0.0012 (7)	0.0031 (7)	−0.0039 (7)
N8	0.0413 (10)	0.0504 (12)	0.0546 (12)	0.0118 (9)	−0.0110 (9)	0.0011 (9)
N9	0.0295 (8)	0.0369 (10)	0.0515 (12)	−0.0027 (7)	0.0027 (8)	0.0025 (8)
N10	0.073 (2)	0.094 (2)	0.0488 (13)	−0.0159 (14)	0.0152 (12)	0.0076 (12)
N11	0.0346 (8)	0.0304 (10)	0.0315 (8)	0.0036 (7)	−0.0007 (7)	−0.0005 (7)
N12	0.0548 (12)	0.0282 (10)	0.0680 (13)	−0.0064 (8)	0.0031 (10)	0.0067 (9)
C1	0.0572 (14)	0.0503 (14)	0.0294 (11)	0.0084 (11)	−0.0047 (10)	0.0048 (10)
C2	0.0505 (12)	0.0415 (12)	0.0298 (10)	−0.0007 (10)	0.0058 (9)	0.0022 (9)
C3	0.0277 (10)	0.0456 (12)	0.0450 (12)	−0.0029 (9)	0.0056 (9)	−0.0022 (10)
C4	0.0304 (11)	0.064 (2)	0.0483 (13)	0.0036 (11)	−0.0063 (9)	−0.0027 (11)
C5	0.0434 (12)	0.0474 (14)	0.0388 (12)	0.0116 (10)	−0.0084 (9)	0.0036 (10)
C6	0.0558 (15)	0.0285 (11)	0.0484 (13)	−0.0102 (10)	0.0112 (11)	−0.0049 (10)

Geometric parameters (Å, º)

Co—N6	1.953 (2)	N9—N10	1.144 (3)
Co—N1	1.954 (2)	N11—N12	1.149 (2)
Co—N5	1.955 (2)	C1—C2	1.509 (3)
Co—N3	1.964 (2)	C1—H1C	1.00 (3)
Co—N4	1.966 (2)	C1—H2C	0.95 (3)
Co—N2	2.032 (2)	C2—H3C	1.01 (2)
N1—C1	1.474 (3)	C2—H4C	0.97 (2)
N1—H1N	0.81 (3)	C3—C4	1.516 (3)
N1—H2N	0.86 (3)	C3—H5C	0.99 (2)
N2—C6	1.492 (3)	C3—H6C	0.96 (2)
N2—C2	1.495 (2)	C4—C5	1.496 (3)
N2—C3	1.497 (3)	C4—H7C	0.98 (2)
N3—C5	1.485 (3)	C4—H8C	0.94 (3)
N3—H3N	0.83 (3)	C5—H9C	0.94 (3)
N3—H4N	0.82 (3)	C5—H10C	0.99 (3)
N4—N7	1.203 (2)	C6—H11C	0.98 (2)
N5—N9	1.186 (3)	C6—H12C	1.02 (2)
N6—N11	1.196 (2)	C6—H13C	0.98 (3)
N7—N8	1.150 (2)
N6—Co—N1	88.50 (8)	N12—N11—N6	175.5 (2)
N6—Co—N5	89.73 (7)	N1—C1—C2	106.1 (2)
N1—Co—N5	87.94 (9)	N1—C1—H1C	105.9 (14)
N6—Co—N3	91.97 (7)	C2—C1—H1C	111.6 (13)
N1—Co—N3	177.15 (8)	N1—C1—H2C	112.9 (17)
N5—Co—N3	94.87 (8)	C2—C1—H2C	107.4 (16)
N6—Co—N4	178.11 (7)	H1C—C1—H2C	113 (2)
N1—Co—N4	93.00 (8)	N2—C2—C1	109.1 (2)
N5—Co—N4	89.17 (8)	N2—C2—H3C	106.5 (11)
N3—Co—N4	86.59 (7)	C1—C2—H3C	109.7 (12)
N6—Co—N2	88.32 (7)	N2—C2—H4C	110.7 (13)
N1—Co—N2	86.06 (7)	C1—C2—H4C	110.9 (13)
N5—Co—N2	173.73 (7)	H3C—C2—H4C	109.9 (17)
N3—Co—N2	91.15 (7)	N2—C3—C4	113.7 (2)
N4—Co—N2	92.94 (7)	N2—C3—H5C	108.9 (12)
C1—N1—Co	110.50 (13)	C4—C3—H5C	108.3 (12)
C1—N1—H1N	110.6 (18)	N2—C3—H6C	108.1 (14)
Co—N1—H1N	113.6 (17)	C4—C3—H6C	111.0 (13)
C1—N1—H2N	105.7 (17)	H5C—C3—H6C	106.6 (19)
Co—N1—H2N	105.4 (17)	C5—C4—C3	114.6 (2)
H1N—N1—H2N	111 (2)	C5—C4—H7C	110.3 (13)
C6—N2—C2	108.5 (2)	C3—C4—H7C	107.5 (12)
C6—N2—C3	107.4 (2)	C5—C4—H8C	105.9 (17)
C2—N2—C3	107.5 (2)	C3—C4—H8C	108.4 (17)
C6—N2—Co	114.70 (13)	H7C—C4—H8C	110 (2)
C2—N2—Co	104.92 (12)	N3—C5—C4	112.2 (2)
C3—N2—Co	113.44 (12)	N3—C5—H9C	105.6 (15)
C5—N3—Co	118.88 (14)	C4—C5—H9C	114.5 (15)
C5—N3—H3N	107.8 (17)	N3—C5—H10C	106.7 (14)
Co—N3—H3N	108.9 (17)	C4—C5—H10C	111.6 (14)
C5—N3—H4N	109.9 (17)	H9C—C5—H10C	105.7 (19)
Co—N3—H4N	104.2 (16)	N2—C6—H11C	108.8 (13)
H3N—N3—H4N	107 (2)	N2—C6—H12C	108.3 (14)
N7—N4—Co	118.58 (13)	H11C—C6—H12C	111.8 (18)
N9—N5—Co	120.93 (15)	N2—C6—H13C	105.8 (15)
N11—N6—Co	122.11 (13)	H11C—C6—H13C	108.8 (19)
N8—N7—N4	177.4 (2)	H12C—C6—H13C	113 (2)
N10—N9—N5	176.7 (2)

(III) Triazido[N-(3-aminopropyl)-1,3-propanediamine]cobalt(III)

Crystal data

[Co(C6H17N3)(N3)3]	F(000) = 656
Mr = 316.25	Dx = 1.628 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.8040 (12) Å	Cell parameters from 25 reflections
b = 9.286 (2) Å	θ = 7.9–12.8°
c = 14.209 (2) Å	µ = 1.34 mm^−1
β = 94.267 (14)°	T = 293 K
V = 1290.1 (3) Å^3	Brick, dark green
Z = 4	0.65 × 0.45 × 0.35 mm

Data collection

Enraf-Nonius CAD-4 diffractometer	1918 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.027
Graphite monochromator	θmax = 26.5°, θmin = 2.1°
ω–2θ scans	h = −12→12
Absorption correction: ψ scan (NRCVAX ABSORP; Gabe et al., 1989)	k = 0→11
Tmin = 0.570, Tmax = 0.625	l = 0→17
2777 measured reflections	3 standard reflections every 240 min
2664 independent reflections	intensity decay: none

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.025	Hydrogen site location: difference Fourier map
wR(F^2) = 0.060	All H-atom parameters refined
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0326P)^2] where P = (Fo^2 + 2Fc^2)/3
2664 reflections	(Δ/σ)max = 0.004
240 parameters	Δρmax = 0.31 e Å^−3
0 restraints	Δρmin = −0.23 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 on F² for ALL reflections except for 0 with very negative F² or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating _R_factor_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
Co	0.64854 (3)	0.19033 (3)	0.90649 (2)	0.02257 (9)
N1	0.6185 (2)	−0.0139 (2)	0.87042 (14)	0.0294 (4)
H1N	0.572 (2)	−0.038 (3)	0.9124 (16)	0.033 (7)*
H2N	0.564 (3)	−0.019 (3)	0.8199 (19)	0.053 (8)*
N2	0.8349 (2)	0.2054 (2)	0.85703 (12)	0.0296 (4)
H3N	0.811 (2)	0.224 (2)	0.7985 (17)	0.033 (6)*
N3	0.6433 (2)	0.3906 (2)	0.95173 (14)	0.0314 (4)
H4N	0.587 (3)	0.428 (3)	0.9133 (18)	0.040 (7)*
H5N	0.603 (2)	0.383 (2)	1.0023 (17)	0.028 (6)*
N4	0.5737 (2)	0.2661 (2)	0.78332 (11)	0.0299 (4)
N5	0.4639 (2)	0.1808 (2)	0.95258 (13)	0.0355 (4)
N6	0.7240 (2)	0.1169 (2)	1.02741 (13)	0.0424 (5)
N7	0.5558 (2)	0.1866 (2)	0.71736 (11)	0.0286 (4)
N8	0.5375 (2)	0.1133 (2)	0.65197 (14)	0.0481 (5)
N9	0.3671 (2)	0.1827 (2)	0.89611 (14)	0.0422 (5)
N10	0.2706 (2)	0.1827 (3)	0.8456 (2)	0.0866 (10)
N11	0.7901 (2)	0.1813 (2)	1.08625 (12)	0.0314 (4)
N12	0.8560 (2)	0.2381 (3)	1.14651 (13)	0.0504 (6)
C1	0.7341 (3)	−0.1141 (3)	0.8650 (2)	0.0402 (6)
H1C	0.698 (3)	−0.201 (3)	0.8419 (18)	0.049 (7)*
H2C	0.774 (2)	−0.124 (3)	0.9300 (18)	0.043 (7)*
C2	0.8431 (3)	−0.0524 (3)	0.8073 (2)	0.0432 (6)
H3C	0.807 (3)	−0.022 (3)	0.7460 (18)	0.043 (7)*
H4C	0.905 (3)	−0.128 (3)	0.7946 (19)	0.062 (8)*
C3	0.9177 (2)	0.0714 (3)	0.8548 (2)	0.0435 (6)
H5C	1.002 (3)	0.092 (3)	0.8274 (17)	0.047 (7)*
H6C	0.946 (2)	0.048 (3)	0.9159 (18)	0.046 (7)*
C4	0.9253 (2)	0.3245 (3)	0.8945 (2)	0.0422 (6)
H7C	1.003 (3)	0.321 (3)	0.8579 (18)	0.047 (7)*
H8C	0.954 (3)	0.297 (3)	0.9576 (18)	0.046 (7)*
C5	0.8581 (3)	0.4699 (3)	0.8899 (2)	0.0483 (7)
H9C	0.925 (3)	0.541 (3)	0.8974 (18)	0.052 (7)*
H10C	0.809 (3)	0.482 (3)	0.8319 (19)	0.048 (7)*
C6	0.7608 (3)	0.4896 (3)	0.9660 (2)	0.0423 (6)
H11C	0.807 (2)	0.467 (3)	1.0262 (17)	0.046 (7)*
H12C	0.723 (2)	0.584 (3)	0.9692 (16)	0.044 (7)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co	0.02707 (14)	0.02442 (14)	0.01605 (13)	−0.00219 (13)	0.00052 (9)	0.00144 (12)
N1	0.0342 (11)	0.0297 (10)	0.0243 (9)	−0.0019 (8)	0.0018 (8)	−0.0006 (8)
N2	0.0279 (9)	0.0368 (10)	0.0238 (9)	−0.0026 (8)	−0.0005 (7)	0.0033 (8)
N3	0.0447 (11)	0.0282 (10)	0.0210 (9)	0.0010 (9)	0.0013 (9)	0.0021 (8)
N4	0.0356 (10)	0.0337 (10)	0.0199 (8)	0.0028 (8)	−0.0019 (7)	0.0005 (8)
N5	0.0337 (10)	0.0429 (11)	0.0312 (9)	−0.0028 (9)	0.0109 (8)	−0.0015 (9)
N6	0.0643 (14)	0.0354 (11)	0.0255 (9)	−0.0081 (10)	−0.0101 (9)	0.0058 (9)
N7	0.0285 (9)	0.0349 (9)	0.0219 (8)	−0.0042 (8)	−0.0007 (7)	0.0076 (9)
N8	0.0724 (15)	0.0455 (12)	0.0253 (10)	−0.0143 (11)	−0.0028 (9)	−0.0042 (10)
N9	0.0338 (11)	0.0466 (12)	0.0478 (12)	0.0004 (10)	0.0128 (9)	0.0178 (10)
N10	0.0350 (13)	0.138 (3)	0.085 (2)	−0.006 (2)	−0.0066 (12)	0.055 (2)
N11	0.0325 (9)	0.0391 (10)	0.0226 (8)	0.0100 (9)	0.0021 (7)	0.0050 (9)
N12	0.0491 (13)	0.0683 (15)	0.0316 (11)	0.0012 (11)	−0.0114 (9)	−0.0090 (10)
C1	0.050 (2)	0.0286 (13)	0.0413 (14)	0.0038 (11)	0.0019 (11)	−0.0007 (11)
C2	0.0435 (14)	0.0440 (14)	0.0428 (14)	0.0120 (12)	0.0086 (11)	−0.0066 (12)
C3	0.0302 (13)	0.052 (2)	0.0480 (15)	0.0071 (12)	0.0030 (11)	0.0036 (13)
C4	0.0332 (12)	0.054 (2)	0.0392 (13)	−0.0175 (12)	0.0010 (10)	0.0010 (12)
C5	0.057 (2)	0.0398 (15)	0.047 (2)	−0.0232 (13)	−0.0003 (13)	0.0062 (12)
C6	0.057 (2)	0.0289 (13)	0.0400 (14)	−0.0077 (11)	−0.0054 (12)	−0.0032 (11)

Geometric parameters (Å, º)

Co—N6	1.943 (2)	N9—N10	1.145 (3)
Co—N3	1.970 (2)	N11—N12	1.160 (3)
Co—N5	1.973 (2)	C1—C2	1.508 (3)
Co—N4	1.976 (2)	C1—H1C	0.93 (3)
Co—N1	1.981 (2)	C1—H2C	0.98 (2)
Co—N2	2.010 (2)	C2—C3	1.497 (4)
N1—C1	1.473 (3)	C2—H3C	0.96 (2)
N1—H1N	0.81 (2)	C2—H4C	0.95 (3)
N1—H2N	0.86 (3)	C3—H5C	0.96 (3)
N2—C3	1.487 (3)	C3—H6C	0.92 (3)
N2—C4	1.491 (3)	C4—C5	1.501 (4)
N2—H3N	0.86 (2)	C4—H7C	0.96 (3)
N3—C6	1.476 (3)	C4—H8C	0.95 (3)
N3—H4N	0.82 (3)	C5—C6	1.505 (4)
N3—H5N	0.85 (2)	C5—H9C	0.93 (3)
N4—N7	1.196 (2)	C5—H10C	0.93 (3)
N5—N9	1.196 (3)	C6—H11C	0.96 (2)
N6—N11	1.182 (2)	C6—H12C	0.95 (2)
N7—N8	1.155 (2)
N6—Co—N3	93.46 (8)	N12—N11—N6	176.5 (2)
N6—Co—N5	89.37 (8)	N1—C1—C2	111.6 (2)
N3—Co—N5	83.53 (8)	N1—C1—H1C	107.0 (15)
N6—Co—N4	179.40 (8)	C2—C1—H1C	113.9 (16)
N3—Co—N4	86.32 (8)	N1—C1—H2C	105.5 (14)
N5—Co—N4	91.16 (8)	C2—C1—H2C	107.3 (14)
N6—Co—N1	86.11 (8)	H1C—C1—H2C	111 (2)
N3—Co—N1	168.96 (8)	C3—C2—C1	112.9 (2)
N5—Co—N1	85.44 (8)	C3—C2—H3C	108.6 (15)
N4—Co—N1	94.22 (8)	C1—C2—H3C	112.0 (15)
N6—Co—N2	92.16 (8)	C3—C2—H4C	110.9 (17)
N3—Co—N2	95.43 (8)	C1—C2—H4C	107.9 (17)
N5—Co—N2	178.20 (8)	H3C—C2—H4C	104 (2)
N4—Co—N2	87.31 (7)	N2—C3—C2	113.7 (2)
N1—Co—N2	95.61 (7)	N2—C3—H5C	109.3 (15)
C1—N1—Co	121.23 (15)	C2—C3—H5C	112.1 (14)
C1—N1—H1N	110.0 (16)	N2—C3—H6C	108.0 (16)
Co—N1—H1N	98.9 (17)	C2—C3—H6C	110.2 (16)
C1—N1—H2N	110.8 (18)	H5C—C3—H6C	103 (2)
Co—N1—H2N	109.7 (18)	N2—C4—C5	113.9 (2)
H1N—N1—H2N	104 (2)	N2—C4—H7C	104.8 (15)
C3—N2—C4	108.5 (2)	C5—C4—H7C	112.1 (14)
C3—N2—Co	117.47 (14)	N2—C4—H8C	105.2 (15)
C4—N2—Co	117.26 (14)	C5—C4—H8C	112.2 (15)
C3—N2—H3N	104.9 (15)	H7C—C4—H8C	108 (2)
C4—N2—H3N	107.8 (15)	C4—C5—C6	112.2 (2)
Co—N2—H3N	99.2 (14)	C4—C5—H9C	109.5 (16)
C6—N3—Co	126.4 (2)	C6—C5—H9C	108.0 (16)
C6—N3—H4N	107.9 (17)	C4—C5—H10C	110.1 (15)
Co—N3—H4N	102.1 (17)	C6—C5—H10C	107.7 (16)
C6—N3—H5N	110.0 (15)	H9C—C5—H10C	109 (2)
Co—N3—H5N	103.1 (15)	N3—C6—C5	110.9 (2)
H4N—N3—H5N	105 (2)	N3—C6—H11C	107.5 (15)
N7—N4—Co	119.82 (14)	C5—C6—H11C	109.4 (14)
N9—N5—Co	118.57 (14)	N3—C6—H12C	106.1 (14)
N11—N6—Co	126.9 (2)	C5—C6—H12C	114.6 (15)
N8—N7—N4	178.0 (2)	H11C—C6—H12C	108 (2)
N10—N9—N5	176.6 (2)

(IV) Triazido[3,3'-diamino-N-methyldopropylamine]cobalt(III)

Crystal data

[Co(C7H19N3)(N3)3]	Z = 2
Mr = 330.27	F(000) = 344
Triclinic, P1	Dx = 1.579 Mg m^−3
a = 8.848 (5) Å	Mo Kα radiation, λ = 0.71073 Å
b = 8.931 (2) Å	Cell parameters from 25 reflections
c = 9.606 (3) Å	θ = 8.4–13.5°
α = 105.98 (2)°	µ = 1.25 mm^−1
β = 90.51 (4)°	T = 293 K
γ = 106.99 (3)°	Polyhedra, dark green
V = 694.6 (5) Å^3	0.45 × 0.38 × 0.18 mm

Data collection

Enraf-Nonius CAD-4 diffractometer	2066 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 25.0°, θmin = 2.2°
ω–2θ scans	h = −10→10
Absorption correction: ψ scan (NRCVAX ABSORP; Gabe et al., 1989)	k = 0→10
Tmin = 0.666, Tmax = 0.799	l = −11→10
2447 measured reflections	3 standard reflections every 240 min
2447 independent reflections	intensity decay: none

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.026	Hydrogen site location: difference Fourier map
wR(F^2) = 0.066	All H-atom parameters refined
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0397P)^2 + 0.1912P] where P = (Fo^2 + 2Fc^2)/3
2447 reflections	(Δ/σ)max = 0.024
257 parameters	Δρmax = 0.32 e Å^−3
0 restraints	Δρmin = −0.27 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 on F² for ALL reflections except for 0 with very negative F² or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating _R_factor_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
Co	0.12819 (3)	0.78911 (3)	0.77457 (3)	0.02682 (10)
N1	0.0821 (2)	0.5501 (2)	0.7337 (2)	0.0334 (4)
H1N	0.040 (3)	0.506 (3)	0.647 (3)	0.042 (7)*
H2N	0.012 (3)	0.518 (3)	0.780 (3)	0.043 (7)*
N2	0.3454 (2)	0.8195 (2)	0.6862 (2)	0.0308 (4)
N3	0.1456 (2)	1.0239 (2)	0.8168 (3)	0.0399 (5)
H3N	0.105 (4)	1.033 (4)	0.740 (4)	0.062 (9)*
H4N	0.081 (4)	1.037 (4)	0.875 (3)	0.062 (10)*
N4	0.0064 (2)	0.7357 (2)	0.5848 (2)	0.0390 (4)
N5	−0.0682 (2)	0.7774 (3)	0.8695 (2)	0.0467 (5)
N6	0.2447 (2)	0.8307 (2)	0.9617 (2)	0.0406 (4)
N7	−0.0803 (2)	0.8105 (2)	0.5679 (2)	0.0435 (5)
N8	−0.1668 (3)	0.8777 (3)	0.5455 (3)	0.0777 (8)
N9	−0.1833 (2)	0.6598 (3)	0.8233 (2)	0.0445 (5)
N10	−0.2956 (3)	0.5510 (3)	0.7840 (3)	0.0764 (8)
N11	0.1756 (2)	0.7791 (2)	1.0532 (2)	0.0450 (5)
N12	0.1162 (4)	0.7329 (4)	1.1452 (3)	0.0864 (9)
C1	0.2066 (3)	0.4746 (3)	0.7466 (3)	0.0449 (6)
H1C	0.250 (3)	0.516 (3)	0.848 (3)	0.043 (7)*
H2C	0.162 (3)	0.361 (3)	0.718 (3)	0.040 (6)*
C2	0.3351 (3)	0.5220 (3)	0.6520 (4)	0.0513 (7)
H3C	0.406 (4)	0.461 (4)	0.659 (4)	0.079 (10)*
H4C	0.293 (3)	0.496 (3)	0.560 (3)	0.046 (8)*
C3	0.4277 (3)	0.7008 (3)	0.7063 (3)	0.0466 (6)
H5C	0.461 (3)	0.732 (3)	0.808 (3)	0.049 (7)*
H6C	0.527 (4)	0.729 (4)	0.662 (3)	0.067 (9)*
C4	0.4653 (3)	0.9821 (3)	0.7588 (3)	0.0401 (5)
H7C	0.493 (3)	0.979 (3)	0.853 (2)	0.028 (5)*
H8C	0.558 (3)	0.987 (3)	0.708 (3)	0.048 (7)*
C5	0.4170 (3)	1.1327 (3)	0.7672 (3)	0.0445 (6)
H9C	0.508 (3)	1.223 (4)	0.797 (3)	0.056 (8)*
H10C	0.380 (3)	1.131 (3)	0.678 (3)	0.046 (7)*
C6	0.2968 (3)	1.1528 (3)	0.8735 (3)	0.0378 (5)
H11C	0.332 (3)	1.143 (3)	0.960 (3)	0.036 (6)*
H12C	0.276 (3)	1.259 (3)	0.893 (3)	0.041 (6)*
C7	0.3270 (3)	0.8014 (4)	0.5274 (3)	0.0499 (6)
H13C	0.255 (3)	0.683 (4)	0.476 (3)	0.054 (8)*
H14C	0.284 (3)	0.887 (4)	0.514 (3)	0.057 (8)*
H15C	0.429 (4)	0.808 (4)	0.494 (3)	0.069 (9)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co	0.0237 (2)	0.0282 (2)	0.0274 (2)	0.00577 (11)	0.00526 (10)	0.00834 (11)
N1	0.0311 (10)	0.0321 (10)	0.0366 (11)	0.0054 (8)	0.0064 (9)	0.0138 (9)
N2	0.0278 (9)	0.0306 (9)	0.0325 (9)	0.0061 (7)	0.0073 (7)	0.0095 (7)
N3	0.0343 (11)	0.0330 (10)	0.0496 (12)	0.0099 (8)	0.0053 (10)	0.0078 (9)
N4	0.0396 (10)	0.0421 (11)	0.0365 (10)	0.0166 (9)	−0.0025 (8)	0.0092 (8)
N5	0.0290 (10)	0.0457 (12)	0.0495 (12)	0.0007 (9)	0.0144 (9)	−0.0004 (9)
N6	0.0379 (10)	0.0479 (11)	0.0303 (9)	−0.0002 (9)	0.0027 (8)	0.0168 (9)
N7	0.0398 (11)	0.0388 (11)	0.0483 (12)	0.0112 (9)	−0.0074 (9)	0.0085 (9)
N8	0.071 (2)	0.062 (2)	0.102 (2)	0.0338 (14)	−0.026 (2)	0.0139 (15)
N9	0.0303 (11)	0.0465 (12)	0.0527 (12)	0.0134 (10)	0.0127 (9)	0.0061 (10)
N10	0.0323 (12)	0.0555 (15)	0.115 (2)	0.0014 (11)	0.0108 (13)	−0.0038 (15)
N11	0.0477 (12)	0.0449 (11)	0.0388 (11)	0.0042 (9)	0.0030 (9)	0.0174 (9)
N12	0.086 (2)	0.114 (2)	0.069 (2)	0.010 (2)	0.022 (2)	0.064 (2)
C1	0.0492 (14)	0.0310 (12)	0.056 (2)	0.0122 (11)	−0.0051 (12)	0.0156 (11)
C2	0.0364 (13)	0.0372 (13)	0.077 (2)	0.0139 (11)	0.0059 (13)	0.0087 (13)
C3	0.0293 (12)	0.0433 (14)	0.067 (2)	0.0145 (10)	0.0073 (12)	0.0124 (13)
C4	0.0295 (12)	0.0404 (13)	0.0455 (14)	0.0018 (10)	0.0082 (10)	0.0140 (11)
C5	0.0431 (14)	0.0345 (12)	0.0508 (15)	0.0003 (11)	0.0091 (11)	0.0166 (11)
C6	0.0441 (13)	0.0265 (11)	0.0377 (12)	0.0049 (10)	0.0005 (10)	0.0077 (9)
C7	0.0461 (15)	0.063 (2)	0.0345 (13)	0.0098 (14)	0.0152 (11)	0.0119 (12)

Geometric parameters (Å, º)

Co—N6	1.951 (2)	N11—N12	1.144 (3)
Co—N5	1.958 (2)	C1—C2	1.499 (4)
Co—N4	1.974 (2)	C1—H1C	0.97 (3)
Co—N1	1.976 (2)	C1—H2C	0.93 (3)
Co—N3	1.982 (2)	C2—C3	1.504 (4)
Co—N2	2.083 (2)	C2—H3C	0.96 (3)
N1—C1	1.470 (3)	C2—H4C	0.90 (3)
N1—H1N	0.84 (3)	C3—H5C	0.95 (3)
N1—H2N	0.80 (3)	C3—H6C	0.98 (3)
N2—C7	1.492 (3)	C4—C5	1.509 (4)
N2—C4	1.500 (3)	C4—H7C	0.94 (2)
N2—C3	1.501 (3)	C4—H8C	0.95 (3)
N3—C6	1.467 (3)	C5—C6	1.495 (3)
N3—H3N	0.85 (3)	C5—H9C	0.93 (3)
N3—H4N	0.81 (3)	C5—H10C	0.91 (3)
N4—N7	1.192 (3)	C6—H11C	0.92 (2)
N5—N9	1.203 (3)	C6—H12C	0.99 (3)
N6—N11	1.195 (3)	C7—H13C	1.04 (3)
N7—N8	1.152 (3)	C7—H14C	0.98 (3)
N9—N10	1.140 (3)	C7—H15C	0.95 (3)
N6—Co—N5	89.89 (9)	C2—C1—H1C	109.6 (15)
N6—Co—N4	177.20 (8)	N1—C1—H2C	109.4 (15)
N5—Co—N4	89.51 (9)	C2—C1—H2C	109.3 (15)
N6—Co—N1	91.86 (9)	H1C—C1—H2C	111 (2)
N5—Co—N1	90.01 (9)	C1—C2—C3	111.9 (2)
N4—Co—N1	85.41 (9)	C1—C2—H3C	106 (2)
N6—Co—N3	90.99 (10)	C3—C2—H3C	108 (2)
N5—Co—N3	83.45 (10)	C1—C2—H4C	110.1 (17)
N4—Co—N3	91.65 (10)	C3—C2—H4C	110.4 (17)
N1—Co—N3	172.86 (8)	H3C—C2—H4C	111 (3)
N6—Co—N2	87.24 (8)	N2—C3—C2	116.8 (2)
N5—Co—N2	175.41 (8)	N2—C3—H5C	106.1 (16)
N4—Co—N2	93.52 (8)	C2—C3—H5C	111.2 (16)
N1—Co—N2	93.66 (8)	N2—C3—H6C	104.6 (18)
N3—Co—N2	93.01 (8)	C2—C3—H6C	113.2 (18)
C1—N1—Co	122.3 (2)	H5C—C3—H6C	104 (2)
C1—N1—H1N	105.4 (17)	N2—C4—C5	117.2 (2)
Co—N1—H1N	107.7 (17)	N2—C4—H7C	106.2 (14)
C1—N1—H2N	109.0 (19)	C5—C4—H7C	110.5 (13)
Co—N1—H2N	108.2 (19)	N2—C4—H8C	107.0 (16)
H1N—N1—H2N	102 (3)	C5—C4—H8C	109.2 (16)
C7—N2—C4	108.1 (2)	H7C—C4—H8C	106 (2)
C7—N2—C3	107.8 (2)	C6—C5—C4	111.9 (2)
C4—N2—C3	102.6 (2)	C6—C5—H9C	109.0 (17)
C7—N2—Co	111.6 (2)	C4—C5—H9C	107.4 (17)
C4—N2—Co	113.10 (14)	C6—C5—H10C	110.4 (17)
C3—N2—Co	113.11 (14)	C4—C5—H10C	111.1 (17)
C6—N3—Co	121.5 (2)	H9C—C5—H10C	107 (2)
C6—N3—H3N	112 (2)	N3—C6—C5	109.5 (2)
Co—N3—H3N	106 (2)	N3—C6—H11C	109.0 (15)
C6—N3—H4N	109 (2)	C5—C6—H11C	109.0 (15)
Co—N3—H4N	104 (2)	N3—C6—H12C	107.5 (14)
H3N—N3—H4N	103 (3)	C5—C6—H12C	113.4 (14)
N7—N4—Co	120.9 (2)	H11C—C6—H12C	108 (2)
N9—N5—Co	119.6 (2)	N2—C7—H13C	107.5 (15)
N11—N6—Co	118.8 (2)	N2—C7—H14C	108.2 (16)
N8—N7—N4	176.9 (3)	H13C—C7—H14C	114 (2)
N10—N9—N5	177.2 (2)	N2—C7—H15C	106.3 (18)
N12—N11—N6	176.6 (3)	H13C—C7—H15C	106 (2)
N1—C1—C2	110.4 (2)	H14C—C7—H15C	114 (3)
N1—C1—H1C	106.8 (15)