trans-Di­aqua­tetrakis(4,4′-methyl­enedi­phenyl­amine-κN)­cobalt(II) dinitrate dihydrate

The hydro­thermally prepared title compound, [Co(C₁₃H₁₄N₂)₄(H₂O)₂](NO₃)₂·2H₂O, consists of mononuclear cationic complexes of six-coordinate cobalt(II), together with nitrate counter-ions and uncoordinated water molecules. Four monodentate 4,4′-methyl­enedi­phenyl­amine (dapm) ligands and two water mol­ecules comprise the octahedral coordination of the Co^II ion, which lies on an inversion center. The compound is isostructural with the previously reported Cd and Ni analogs.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.041
• wR factor = 0.081
• Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found



Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.619     0.928
            Tmin' and Tmax expected:      0.841     0.929
            RR' =      0.737
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.74

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C7
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         N5
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1B    ...          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2A    ...          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N3     -   H3B    ...          ?
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3
              H2 O

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

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

(I)

Crystal data

[Co(C13H14N2)4(H2O)2](NO3)2·2H2O	Z = 1
Mr = 1048.06	F(000) = 553
Triclinic, P1	Dx = 1.370 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.2265 (5) Å	Cell parameters from 6696 reflections
b = 11.6587 (6) Å	θ = 2.3–26.4°
c = 11.9719 (7) Å	µ = 0.41 mm^−1
α = 80.920 (1)°	T = 293 K
β = 87.804 (1)°	Block, pale orange
γ = 89.488 (1)°	0.42 × 0.24 × 0.18 mm
V = 1270.73 (12) Å^3

Data collection

Bruker SMART APEX CCD diffractometer	5200 independent reflections
Radiation source: fine-focus sealed tube	3875 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.030
ω and φ scans	θmax = 26.4°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 1999)	h = −11→11
Tmin = 0.619, Tmax = 0.928	k = −14→14
11803 measured reflections	l = −14→14

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)] = 0.041	Hydrogen site location: mixed
wR(F^2) = 0.081	H atoms treated by a mixture of independent and constrained refinement
S = 0.99	w = 1/[σ^2(Fo^2) + (0.03P)^2] where P = (Fo^2 + 2Fc^2)/3
5200 reflections	(Δ/σ)max < 0.001
379 parameters	Δρmax = 0.45 e Å^−3
0 restraints	Δρmin = −0.32 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.

#======================================== LEAST-SQUARES PLANES DATA FROM SHELX #========================================

#=== Ligand 1

Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

8.1916(0.0033)x - 5.1903(0.0080)y + 0.4984(0.0087)z = 2.3559(0.0072)

* -0.0022 (0.0013) C1 * 0.0013 (0.0013) C2 * -0.0003 (0.0013) C3 * 0.0002 (0.0013) C4 * -0.0011 (0.0014) C5 * 0.0021 (0.0014) C6

Rms deviation of fitted atoms = 0.0014

4.7532(0.0062)x + 8.4301(0.0063)y + 7.1113(0.0080)z = 7.8320(0.0099)

Angle to previous plane (with approximate e.s.d.) = 80.26 (0.05)

* 0.0037 (0.0015) C8 * -0.0020 (0.0015) C9 * -0.0021 (0.0014) C10 * 0.0045 (0.0014) C11 * -0.0028 (0.0014) C12 * -0.0013 (0.0015) C13

Rms deviation of fitted atoms = 0.0030

#=== Ligand 2

2.9001(0.0074)x + 6.4915(0.0075)y + 10.2957(0.0051)z = 4.6519(0.0016)

* -0.0033 (0.0013) C14 * 0.0046 (0.0014) C15 * -0.0010 (0.0015) C16 * -0.0040 (0.0014) C17 * 0.0055 (0.0014) C18 * -0.0018 (0.0014) C19

Rms deviation of fitted atoms = 0.0037

-8.5523(0.0028)x + 4.1026(0.0088)y + 1.4969(0.0090)z = 0.1958(0.0045)

Angle to previous plane (with approximate e.s.d.) = 89.39 (0.06)

* 0.0172 (0.0014) C21 * -0.0092 (0.0014) C22 * -0.0052 (0.0014) C23 * 0.0115 (0.0013) C24 * -0.0034 (0.0013) C25 * -0.0109 (0.0014) C26

Rms deviation of fitted atoms = 0.0106

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
Co	0.5000	0.0000	0.5000	0.03613 (11)
C1	0.25677 (19)	0.01880 (16)	0.69814 (16)	0.0395 (4)
C2	0.18950 (19)	−0.08337 (17)	0.74661 (16)	0.0439 (5)
H2	0.1597	−0.1355	0.7009	0.053*
C3	0.1664 (2)	−0.10848 (17)	0.86226 (17)	0.0470 (5)
H3	0.1205	−0.1776	0.8933	0.056*
C4	0.2096 (2)	−0.03342 (18)	0.93360 (16)	0.0472 (5)
C5	0.2765 (2)	0.06760 (19)	0.88359 (18)	0.0545 (5)
H5	0.3065	0.1199	0.9291	0.065*
C6	0.3007 (2)	0.09400 (17)	0.76780 (18)	0.0518 (5)
H6	0.3469	0.1629	0.7368	0.062*
C7	0.1796 (2)	−0.0597 (2)	1.06004 (17)	0.0638 (6)
H7A	0.2044	0.0084	1.0925	0.077*
H7B	0.0762	−0.0723	1.0736	0.077*
C8	0.4034 (2)	−0.35128 (19)	1.24868 (18)	0.0546 (5)
C9	0.4603 (2)	−0.29734 (19)	1.14589 (18)	0.0548 (5)
H9	0.5478	−0.3233	1.1176	0.066*
C10	0.3890 (2)	−0.20548 (19)	1.08460 (17)	0.0531 (5)
H10	0.4299	−0.1708	1.0154	0.064*
C11	0.2586 (2)	−0.16299 (18)	1.12232 (16)	0.0469 (5)
C12	0.2020 (2)	−0.2190 (2)	1.22555 (17)	0.0548 (6)
H12	0.1140	−0.1938	1.2536	0.066*
C13	0.2727 (2)	−0.3110 (2)	1.28749 (19)	0.0613 (6)
H13	0.2319	−0.3463	1.3564	0.074*
C14	0.33726 (19)	0.11847 (16)	0.28181 (14)	0.0384 (4)
C15	0.4324 (2)	0.18908 (18)	0.21126 (16)	0.0526 (5)
H15	0.5275	0.1649	0.2006	0.063*
C16	0.3872 (2)	0.29521 (18)	0.15652 (17)	0.0536 (5)
H16	0.4527	0.3415	0.1087	0.064*
C17	0.2469 (2)	0.33504 (16)	0.17064 (16)	0.0433 (5)
C18	0.1546 (2)	0.26372 (17)	0.24254 (17)	0.0493 (5)
H18	0.0600	0.2885	0.2547	0.059*
C19	0.19774 (19)	0.15621 (17)	0.29746 (16)	0.0464 (5)
H19	0.1323	0.1096	0.3449	0.056*
C20	0.1985 (2)	0.45056 (17)	0.10735 (17)	0.0525 (5)
H20A	0.1034	0.4689	0.1373	0.063*
H20B	0.2649	0.5101	0.1218	0.063*
C21	0.1572 (2)	0.47230 (17)	−0.25409 (18)	0.0495 (5)
C22	0.2123 (2)	0.56408 (17)	−0.20843 (18)	0.0528 (5)
H22	0.2391	0.6323	−0.2558	0.063*
C23	0.2278 (2)	0.55508 (16)	−0.09257 (18)	0.0500 (5)
H23	0.2641	0.6181	−0.0637	0.060*
C24	0.19088 (19)	0.45531 (15)	−0.01884 (16)	0.0421 (5)
C25	0.1401 (2)	0.36341 (16)	−0.06674 (18)	0.0474 (5)
H25	0.1158	0.2944	−0.0198	0.057*
C26	0.1246 (2)	0.37091 (17)	−0.18132 (18)	0.0518 (5)
H26	0.0916	0.3068	−0.2103	0.062*
N1	0.28503 (19)	0.04297 (17)	0.57775 (15)	0.0454 (4)
H1A	0.219 (2)	0.0052 (17)	0.5434 (17)	0.059 (7)*
H1B	0.270 (2)	0.1115 (17)	0.5543 (16)	0.047 (6)*
N2	0.4792 (3)	−0.4411 (2)	1.3153 (2)	0.0790 (7)
H2A	0.545 (3)	−0.477 (2)	1.278 (2)	0.097 (10)*
H2B	0.425 (3)	−0.490 (2)	1.358 (2)	0.088 (10)*
N3	0.3857 (2)	0.00844 (16)	0.34090 (15)	0.0443 (4)
H3A	0.318 (2)	−0.0384 (18)	0.3538 (18)	0.064 (8)*
H3B	0.447 (2)	−0.0200 (18)	0.2983 (18)	0.064 (8)*
N4	0.1406 (2)	0.4797 (2)	−0.37130 (18)	0.0691 (6)
H4A	0.128 (3)	0.557 (2)	−0.412 (2)	0.092 (9)*
H4B	0.075 (3)	0.429 (2)	−0.394 (2)	0.095 (10)*
O1	0.4439 (2)	−0.17239 (13)	0.53090 (13)	0.0525 (4)
H1WA	0.366 (3)	−0.199 (2)	0.531 (2)	0.078 (9)*
H1WB	0.502 (3)	−0.227 (2)	0.528 (2)	0.077 (9)*
O2	0.3712 (4)	0.3434 (2)	−0.4931 (4)	0.1050 (9)
H2WA	0.292 (4)	0.352 (4)	−0.507 (4)	0.16 (2)*
H2WB	0.394 (5)	0.369 (4)	−0.445 (4)	0.17 (3)*
N5	−0.06558 (19)	0.20614 (15)	0.51419 (14)	0.0480 (4)
O3	−0.07922 (16)	0.10051 (12)	0.54693 (13)	0.0651 (4)
O4	−0.16397 (15)	0.26046 (12)	0.45748 (12)	0.0590 (4)
O5	0.04190 (16)	0.25881 (13)	0.53781 (13)	0.0680 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co	0.0365 (2)	0.0368 (2)	0.0341 (2)	0.00103 (15)	−0.00498 (15)	−0.00173 (15)
C1	0.0324 (10)	0.0452 (11)	0.0408 (11)	0.0072 (8)	−0.0027 (8)	−0.0068 (9)
C2	0.0397 (10)	0.0519 (12)	0.0434 (12)	−0.0007 (9)	−0.0038 (9)	−0.0170 (9)
C3	0.0411 (11)	0.0503 (12)	0.0489 (12)	−0.0021 (9)	0.0042 (9)	−0.0067 (10)
C4	0.0392 (11)	0.0633 (14)	0.0415 (11)	0.0127 (10)	−0.0025 (9)	−0.0160 (10)
C5	0.0519 (13)	0.0603 (14)	0.0575 (14)	0.0024 (11)	−0.0035 (11)	−0.0284 (11)
C6	0.0514 (12)	0.0460 (12)	0.0598 (14)	−0.0036 (10)	0.0008 (10)	−0.0141 (10)
C7	0.0569 (14)	0.0892 (17)	0.0476 (13)	0.0183 (13)	0.0023 (11)	−0.0201 (12)
C8	0.0604 (14)	0.0560 (13)	0.0492 (13)	−0.0052 (11)	−0.0009 (11)	−0.0144 (11)
C9	0.0416 (11)	0.0719 (15)	0.0518 (13)	0.0006 (11)	0.0029 (10)	−0.0139 (11)
C10	0.0422 (11)	0.0757 (15)	0.0406 (12)	−0.0014 (11)	0.0062 (9)	−0.0081 (11)
C11	0.0402 (11)	0.0681 (14)	0.0363 (11)	−0.0010 (10)	−0.0029 (9)	−0.0200 (10)
C12	0.0462 (12)	0.0765 (16)	0.0461 (13)	−0.0047 (11)	0.0083 (10)	−0.0255 (12)
C13	0.0698 (15)	0.0677 (15)	0.0461 (13)	−0.0088 (13)	0.0145 (12)	−0.0118 (11)
C14	0.0382 (10)	0.0467 (11)	0.0296 (10)	0.0053 (9)	−0.0064 (8)	−0.0031 (8)
C15	0.0355 (11)	0.0714 (15)	0.0454 (12)	0.0129 (10)	0.0029 (9)	0.0057 (11)
C16	0.0411 (11)	0.0631 (14)	0.0493 (13)	0.0023 (10)	0.0060 (10)	0.0113 (10)
C17	0.0434 (11)	0.0473 (11)	0.0386 (11)	0.0051 (9)	−0.0041 (9)	−0.0048 (9)
C18	0.0340 (10)	0.0593 (13)	0.0518 (13)	0.0122 (10)	0.0007 (9)	−0.0016 (10)
C19	0.0355 (10)	0.0548 (12)	0.0447 (12)	−0.0006 (9)	0.0006 (9)	0.0050 (10)
C20	0.0565 (13)	0.0462 (12)	0.0539 (13)	0.0074 (10)	−0.0044 (10)	−0.0054 (10)
C21	0.0464 (12)	0.0504 (12)	0.0518 (13)	0.0081 (10)	−0.0068 (10)	−0.0080 (10)
C22	0.0584 (13)	0.0419 (12)	0.0543 (14)	−0.0025 (10)	−0.0035 (11)	0.0049 (10)
C23	0.0514 (12)	0.0393 (11)	0.0589 (14)	−0.0028 (9)	−0.0083 (10)	−0.0054 (10)
C24	0.0374 (10)	0.0390 (11)	0.0481 (12)	0.0058 (9)	−0.0049 (9)	−0.0003 (9)
C25	0.0444 (11)	0.0381 (11)	0.0574 (13)	0.0012 (9)	−0.0018 (10)	−0.0010 (9)
C26	0.0481 (12)	0.0436 (12)	0.0652 (15)	0.0002 (10)	−0.0103 (11)	−0.0112 (11)
N1	0.0443 (10)	0.0478 (11)	0.0427 (10)	0.0062 (9)	−0.0042 (8)	−0.0024 (9)
N2	0.0947 (18)	0.0696 (16)	0.0683 (15)	0.0131 (15)	0.0112 (14)	−0.0019 (13)
N3	0.0452 (11)	0.0469 (11)	0.0407 (10)	0.0056 (9)	−0.0074 (8)	−0.0055 (8)
N4	0.0862 (15)	0.0653 (14)	0.0559 (13)	−0.0011 (13)	−0.0120 (11)	−0.0081 (11)
O1	0.0470 (9)	0.0397 (9)	0.0696 (11)	−0.0006 (8)	−0.0088 (8)	−0.0035 (7)
O2	0.0873 (19)	0.0821 (15)	0.145 (3)	0.0181 (13)	0.0266 (17)	−0.0239 (16)
N5	0.0521 (11)	0.0550 (11)	0.0388 (10)	−0.0028 (9)	0.0040 (8)	−0.0146 (8)
O3	0.0778 (11)	0.0454 (9)	0.0717 (11)	−0.0029 (8)	−0.0083 (9)	−0.0063 (8)
O4	0.0597 (9)	0.0576 (9)	0.0577 (9)	0.0029 (8)	−0.0092 (8)	−0.0015 (7)
O5	0.0569 (9)	0.0778 (11)	0.0744 (11)	−0.0191 (8)	−0.0052 (8)	−0.0260 (9)

Geometric parameters (Å, º)

Co—O1	2.0526 (15)	C16—C17	1.385 (3)
Co—O1^i	2.0526 (15)	C16—H16	0.9300
Co—N3^i	2.2005 (16)	C17—C18	1.374 (3)
Co—N3	2.2005 (16)	C17—C20	1.510 (3)
Co—N1^i	2.2448 (17)	C18—C19	1.383 (3)
Co—N1	2.2448 (17)	C18—H18	0.9300
C1—C6	1.375 (3)	C19—H19	0.9300
C1—C2	1.381 (2)	C20—C24	1.507 (3)
C1—N1	1.438 (2)	C20—H20A	0.9700
C2—C3	1.378 (3)	C20—H20B	0.9700
C2—H2	0.9300	C21—C26	1.381 (3)
C3—C4	1.387 (3)	C21—C22	1.385 (3)
C3—H3	0.9300	C21—N4	1.406 (3)
C4—C5	1.374 (3)	C22—C23	1.387 (3)
C4—C7	1.512 (3)	C22—H22	0.9300
C5—C6	1.382 (3)	C23—C24	1.381 (3)
C5—H5	0.9300	C23—H23	0.9300
C6—H6	0.9300	C24—C25	1.385 (3)
C7—C11	1.510 (3)	C25—C26	1.374 (3)
C7—H7A	0.9700	C25—H25	0.9300
C7—H7B	0.9700	C26—H26	0.9300
C8—C9	1.378 (3)	N1—H1A	0.90 (2)
C8—C13	1.381 (3)	N1—H1B	0.816 (19)
C8—N2	1.410 (3)	N2—H2A	0.88 (3)
C9—C10	1.376 (3)	N2—H2B	0.86 (3)
C9—H9	0.9300	N3—H3A	0.82 (2)
C10—C11	1.384 (3)	N3—H3B	0.85 (2)
C10—H10	0.9300	N4—H4A	0.96 (2)
C11—C12	1.389 (3)	N4—H4B	0.93 (3)
C12—C13	1.378 (3)	O1—H1WA	0.79 (2)
C12—H12	0.9300	O1—H1WB	0.83 (2)
C13—H13	0.9300	O2—H2WA	0.76 (4)
C14—C19	1.372 (2)	O2—H2WB	0.72 (4)
C14—C15	1.378 (3)	N5—O5	1.2360 (19)
C14—N3	1.440 (2)	N5—O3	1.2380 (19)
C15—C16	1.375 (3)	N5—O4	1.260 (2)
C15—H15	0.9300
O1—Co—O1^i	180.0	C14—C15—H15	119.9
O1—Co—N3^i	93.74 (7)	C15—C16—C17	121.76 (19)
O1^i—Co—N3^i	86.26 (7)	C15—C16—H16	119.1
O1—Co—N3	86.26 (7)	C17—C16—H16	119.1
O1^i—Co—N3	93.74 (7)	C18—C17—C16	116.90 (18)
N3^i—Co—N3	180.0	C18—C17—C20	122.21 (17)
O1—Co—N1^i	91.05 (7)	C16—C17—C20	120.88 (18)
O1^i—Co—N1^i	88.95 (7)	C17—C18—C19	122.12 (18)
N3^i—Co—N1^i	86.15 (7)	C17—C18—H18	118.9
N3—Co—N1^i	93.85 (7)	C19—C18—H18	118.9
O1—Co—N1	88.95 (7)	C14—C19—C18	119.90 (18)
O1^i—Co—N1	91.05 (7)	C14—C19—H19	120.0
N3^i—Co—N1	93.85 (7)	C18—C19—H19	120.0
N3—Co—N1	86.15 (7)	C24—C20—C17	114.66 (16)
N1^i—Co—N1	180.0	C24—C20—H20A	108.6
C6—C1—C2	118.56 (18)	C17—C20—H20A	108.6
C6—C1—N1	121.12 (18)	C24—C20—H20B	108.6
C2—C1—N1	120.26 (18)	C17—C20—H20B	108.6
C3—C2—C1	120.42 (18)	H20A—C20—H20B	107.6
C3—C2—H2	119.8	C26—C21—C22	117.86 (19)
C1—C2—H2	119.8	C26—C21—N4	120.7 (2)
C2—C3—C4	121.70 (19)	C22—C21—N4	121.3 (2)
C2—C3—H3	119.1	C21—C22—C23	120.49 (19)
C4—C3—H3	119.1	C21—C22—H22	119.8
C5—C4—C3	116.89 (18)	C23—C22—H22	119.8
C5—C4—C7	121.66 (19)	C24—C23—C22	121.96 (18)
C3—C4—C7	121.4 (2)	C24—C23—H23	119.0
C4—C5—C6	122.11 (19)	C22—C23—H23	119.0
C4—C5—H5	118.9	C23—C24—C25	116.54 (18)
C6—C5—H5	118.9	C23—C24—C20	120.96 (17)
C1—C6—C5	120.30 (19)	C25—C24—C20	122.41 (17)
C1—C6—H6	119.8	C26—C25—C24	122.16 (18)
C5—C6—H6	119.8	C26—C25—H25	118.9
C11—C7—C4	116.17 (17)	C24—C25—H25	118.9
C11—C7—H7A	108.2	C25—C26—C21	120.92 (19)
C4—C7—H7A	108.2	C25—C26—H26	119.5
C11—C7—H7B	108.2	C21—C26—H26	119.5
C4—C7—H7B	108.2	C1—N1—Co	121.25 (12)
H7A—C7—H7B	107.4	C1—N1—H1A	108.8 (13)
C9—C8—C13	118.0 (2)	Co—N1—H1A	104.9 (13)
C9—C8—N2	121.3 (2)	C1—N1—H1B	110.2 (14)
C13—C8—N2	120.6 (2)	Co—N1—H1B	106.0 (14)
C10—C9—C8	120.7 (2)	H1A—N1—H1B	104.3 (18)
C10—C9—H9	119.6	C8—N2—H2A	115.1 (18)
C8—C9—H9	119.6	C8—N2—H2B	114.5 (18)
C9—C10—C11	122.27 (19)	H2A—N2—H2B	111 (2)
C9—C10—H10	118.9	C14—N3—Co	120.27 (12)
C11—C10—H10	118.9	C14—N3—H3A	111.3 (15)
C10—C11—C12	116.30 (19)	Co—N3—H3A	106.6 (15)
C10—C11—C7	124.06 (19)	C14—N3—H3B	108.3 (15)
C12—C11—C7	119.62 (18)	Co—N3—H3B	102.9 (14)
C13—C12—C11	121.8 (2)	H3A—N3—H3B	106 (2)
C13—C12—H12	119.1	C21—N4—H4A	115.8 (15)
C11—C12—H12	119.1	C21—N4—H4B	116.4 (16)
C12—C13—C8	120.9 (2)	H4A—N4—H4B	111 (2)
C12—C13—H13	119.5	Co—O1—H1WA	127.9 (18)
C8—C13—H13	119.5	Co—O1—H1WB	124.1 (16)
C19—C14—C15	119.06 (17)	H1WA—O1—H1WB	106 (2)
C19—C14—N3	120.80 (18)	H2WA—O2—H2WB	116 (5)
C15—C14—N3	120.11 (18)	O5—N5—O3	120.88 (18)
C16—C15—C14	120.25 (18)	O5—N5—O4	119.88 (18)
C16—C15—H15	119.9	O3—N5—O4	119.24 (17)
C6—C1—C2—C3	0.4 (3)	C20—C17—C18—C19	177.76 (19)
N1—C1—C2—C3	177.95 (17)	C15—C14—C19—C18	0.1 (3)
C1—C2—C3—C4	−0.3 (3)	N3—C14—C19—C18	178.05 (17)
C2—C3—C4—C5	0.2 (3)	C17—C18—C19—C14	0.8 (3)
C2—C3—C4—C7	178.00 (17)	C18—C17—C20—C24	−111.1 (2)
C3—C4—C5—C6	−0.2 (3)	C16—C17—C20—C24	67.6 (2)
C7—C4—C5—C6	−178.07 (19)	C26—C21—C22—C23	−2.7 (3)
C2—C1—C6—C5	−0.5 (3)	N4—C21—C22—C23	180.00 (19)
N1—C1—C6—C5	−178.00 (17)	C21—C22—C23—C24	0.7 (3)
C4—C5—C6—C1	0.4 (3)	C22—C23—C24—C25	1.3 (3)
C5—C4—C7—C11	−115.4 (2)	C22—C23—C24—C20	−175.55 (18)
C3—C4—C7—C11	66.9 (3)	C17—C20—C24—C23	−143.90 (18)
C13—C8—C9—C10	0.5 (3)	C17—C20—C24—C25	39.5 (3)
N2—C8—C9—C10	−176.3 (2)	C23—C24—C25—C26	−1.1 (3)
C8—C9—C10—C11	0.1 (3)	C20—C24—C25—C26	175.67 (18)
C9—C10—C11—C12	−0.7 (3)	C24—C25—C26—C21	−1.0 (3)
C9—C10—C11—C7	177.6 (2)	C22—C21—C26—C25	2.9 (3)
C4—C7—C11—C10	25.3 (3)	N4—C21—C26—C25	−179.80 (19)
C4—C7—C11—C12	−156.49 (19)	C6—C1—N1—Co	82.8 (2)
C10—C11—C12—C13	0.7 (3)	C2—C1—N1—Co	−94.67 (19)
C7—C11—C12—C13	−177.6 (2)	O1—Co—N1—C1	73.74 (16)
C11—C12—C13—C8	−0.2 (3)	O1^i—Co—N1—C1	−106.26 (16)
C9—C8—C13—C12	−0.4 (3)	N3^i—Co—N1—C1	−19.93 (17)
N2—C8—C13—C12	176.4 (2)	N3—Co—N1—C1	160.07 (17)
C19—C14—C15—C16	−0.7 (3)	C19—C14—N3—Co	−95.5 (2)
N3—C14—C15—C16	−178.67 (19)	C15—C14—N3—Co	82.4 (2)
C14—C15—C16—C17	0.5 (3)	O1—Co—N3—C14	160.19 (17)
C15—C16—C17—C18	0.3 (3)	O1^i—Co—N3—C14	−19.81 (17)
C15—C16—C17—C20	−178.41 (19)	N1^i—Co—N3—C14	−109.01 (17)
C16—C17—C18—C19	−0.9 (3)	N1—Co—N3—C14	70.99 (17)

Symmetry code: (i) −x+1, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1A···O3^ii	0.90 (2)	2.22 (2)	3.114 (2)	173.2 (18)
N3—H3A···O3^ii	0.82 (2)	2.52 (2)	3.263 (3)	150.0 (19)
O1—H1WA···O4^ii	0.79 (2)	1.99 (3)	2.779 (2)	175 (3)
N4—H4B···O5^iii	0.93 (3)	2.29 (3)	3.107 (3)	147 (2)
O2—H2WA···O5^iii	0.76 (4)	2.56 (4)	3.193 (4)	142 (4)
N2—H2B···O2^iv	0.86 (3)	2.46 (3)	3.258 (4)	156 (2)
N4—H4A···O4^v	0.96 (2)	2.14 (3)	3.048 (3)	157 (2)
O1—H1WB···O2^vi	0.83 (2)	1.87 (3)	2.694 (3)	170 (2)
O2—H2WB···N2^i	0.72 (4)	2.26 (4)	2.958 (5)	165 (5)

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