Cocrystal of (2-guanidinobenzimidazole-κ2N,N′)[hydridotris(3,5-methyl­phenyl­pyrazol­yl)borato-κ3N,N′,N′′]cobalt(II) perchlorate and (2-guanidino­benzimidazolato-κ2N,N′)[hydridotris(3,5-methyl­phenyl­pyrazol­yl)borato-κ3N,N′,N′′]cobalt(II) methanol solvate monohydrate

He, H.-S.

doi:10.1107/S1600536807020752

Cocrystal of (2-guanidinobenzimidazole-κ²N,N′)[hydridotris(3,5-methylphenylpyrazolyl)borato-κ³N,N′,N′′]cobalt(II) perchlorate and (2-guanidinobenzimidazolato-κ²N,N′)[hydridotris(3,5-methylphenylpyrazolyl)borato-κ³N,N′,N′′]cobalt(II) methanol solvate monohydrate

In the title cocrystal, {[Co(C₈H₉N₅)(C₃₀H₂₈BN₆)]ClO₄}·[Co(C₈H₉N₅)(C₃₀H₂₇BN₆)]·CH₃OH·H₂O, two independent complexes co-crystallize in the asymmetric unit, together with methanol and water solvent molecules and a perchlorate anion. Each Co²⁺ ion is five-coordinated by three N atoms from a hydridotris(3,5-methylphenyl)borate group and two N atoms from a 2-guanidinobenzimidazolyl (GBI) ligand. In one molecule, GBI binds to Co²⁺ in the neutral form with perchlorate as counter-ion, whereas in the other molecule, it ligates to Co²⁺ in the anionic form after deprotonation. The coordination geometry can be best described as distorted trigonal bipyramidal.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807020752/lx2001sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807020752/lx2001Isup2.hkl Contains datablock I

CCDC reference: 650505

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
H-atom completeness 98%
R factor = 0.062
wR factor = 0.198
Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found





Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O6

Author Response: H atoms on O6 are unable to be located from difference map.


Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.95 Ratio

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?

Author Response: Because H atoms on O6 are unable to be located from difference map.

PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?

Author Response: Because H atoms on O6 are unable to be located from difference map.

PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)       3000 Deg.
PLAT214_ALERT_2_C Atom O1      (Anion/Solvent) ADP max/min Ratio         4.10 prola
PLAT214_ALERT_2_C Atom O3      (Anion/Solvent) ADP max/min Ratio         4.10 prola
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.14 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.67 Ratio

Author Response: H atom on N18 is short, however, it is clear that there is a.

PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.87 Ratio

Author Response: H atom on N18 is short, however, it is clear that there is a.

PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C56
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C57
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C67
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C75
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C27
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C43
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C53
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C63
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C25
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         Cl
PLAT245_ALERT_2_C U(iso) H81B    Smaller than U(eq) N8      by ...       0.01 AngSq
PLAT245_ALERT_2_C U(iso) H82     Smaller than U(eq) N10     by ...       0.02 AngSq
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...         10
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C11
PLAT420_ALERT_2_C D-H Without Acceptor       N7     -   H80    ...          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N8     -   H81A   ...          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N18    -   H83    ...          ?
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C77 H79 B2 Cl1 Co2 N22 O6
            Atom count from the _atom_site data:  C77 H77 B2 Cl1 Co2 N22 O6
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  C77 H79 B2 Cl Co2 N22 O6
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        154.00    154.00    0.00
           H        158.00    154.00    4.00
           B          4.00      4.00    0.00
           Cl         2.00      2.00    0.00
           Co         4.00      4.00    0.00
           N         44.00     44.00    0.00
           O         12.00     12.00    0.00
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K
PLAT794_ALERT_5_G Check Predicted Bond Valency for Co1         (9)       2.38
PLAT794_ALERT_5_G Check Predicted Bond Valency for Co2         (9)       2.38
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         12

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

   8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  20 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

{(2-guanidinobenzimidazole-κ²N,N')[hydridotris(3,5- methylphenylpyrazolyl)borato-κ³N,N',N'']}cobalt(II) perchlorate–{(2-guanidinobenzimidazolato-κ²N,N')[hydridotris(3,5- methylphenylpyrazolyl)borato-κ³N,N',N'']cobalt(II)} methanol solvate monohydrate top

Crystal data top

{[Co(C₈H₉N₅)(C₃₀H₂₈BN₆)]ClO₄}·[Co(C₈H₉N₅)(C₃₀H₂₇BN₆)]·CH₄O·H₂O	Z = 2
M_r = 1583.55	F(000) = 1648
Triclinic, P1	D_x = 1.320 Mg m⁻³
Hall symbol: -p_1	Mo Kα radiation, λ = 0.71073 Å
a = 12.208 (2) Å	Cell parameters from 20452 reflections
b = 17.727 (4) Å	θ = 1.8–27.8°
c = 20.295 (4) Å	µ = 0.52 mm⁻¹
α = 106.31 (3)°	T = 293 K
β = 99.30 (3)°	Prism, dark-red
γ = 103.14 (3)°	0.30 × 0.30 × 0.20 mm
V = 3983.7 (18) Å³

Data collection top

Bruker 1K CCD area-detector diffractometer	14765 independent reflections
Radiation source: fine-focus sealed tube	7850 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.081
Detector resolution: 10 pixels mm^-1	θ_max = 25.5°, θ_min = 1.8°
φ and ω scans	h = −14→14
Absorption correction: multi-scan (SADABS; Sheldrick, 2002)	k = −21→21
T_min = 0.861, T_max = 0.904	l = −24→24
56246 measured reflections

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.062	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.198	w = 1/[σ²(F_o²) + (0.0911P)² + 2.0877P] where P = (F_o² + 2F_c²)/3
S = 1.02	(Δ/σ)_max < 0.001
14765 reflections	Δρ_max = 0.73 e Å⁻³
1019 parameters	Δρ_min = −0.62 e Å⁻³
12 restraints	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0017 (4)

Special details top

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 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 (Å²) top

	x	y	z	U_iso*/U_eq
Co1	0.65558 (5)	−0.01221 (4)	0.30019 (3)	0.0468 (2)
Co2	0.24391 (5)	0.40914 (4)	0.27299 (3)	0.0504 (2)
Cl	0.8428 (3)	0.5482 (3)	0.06357 (18)	0.2115 (16)
O1	0.9044 (13)	0.6073 (10)	0.1251 (5)	0.428 (12)
O2	0.7500 (9)	0.5512 (8)	0.0176 (5)	0.309 (6)
O3	0.9157 (11)	0.5432 (12)	0.0217 (5)	0.439 (12)
O4	0.7887 (19)	0.4650 (11)	0.0848 (8)	0.468 (12)
O5	0.3637 (3)	−0.0587 (2)	−0.02213 (18)	0.0796 (11)
H5	0.3816	−0.0458	−0.0566	0.119*
O6	0.5093 (11)	0.5939 (7)	0.0228 (7)	0.318 (6)
N1	0.5357 (3)	−0.0469 (2)	0.35631 (18)	0.0489 (9)
N2	0.5760 (3)	−0.0695 (2)	0.41329 (18)	0.0506 (9)
N3	0.7558 (3)	0.0708 (2)	0.41296 (18)	0.0521 (9)
N4	0.7778 (3)	0.0264 (2)	0.45658 (18)	0.0527 (9)
N5	0.7507 (3)	−0.0913 (2)	0.31695 (18)	0.0498 (9)
N6	0.7416 (3)	−0.1165 (2)	0.37427 (19)	0.0523 (9)
N7	0.7155 (3)	0.0760 (2)	0.26331 (19)	0.0584 (10)
H80	0.7635	0.1210	0.2952	0.070*
N8	0.7588 (4)	0.1427 (3)	0.1838 (2)	0.0741 (13)
H81A	0.8191	0.1802	0.2200	0.067 (15)*
H81B	0.7644	0.1423	0.1435	0.060 (15)*
N9	0.6159 (3)	0.0227 (2)	0.14288 (18)	0.0513 (9)
N10	0.4724 (4)	−0.1013 (3)	0.0896 (2)	0.0632 (12)
H82	0.455 (4)	−0.088 (3)	0.056 (2)	0.046 (14)*
N11	0.5594 (3)	−0.0777 (2)	0.20117 (18)	0.0452 (9)
N12	0.3914 (3)	0.4234 (2)	0.34570 (19)	0.0537 (10)
N13	0.3814 (3)	0.3881 (2)	0.39733 (19)	0.0554 (10)
N14	0.1543 (3)	0.2974 (2)	0.27680 (19)	0.0528 (10)
N15	0.1902 (3)	0.2797 (2)	0.33692 (19)	0.0565 (10)
N16	0.1871 (3)	0.4599 (2)	0.37133 (19)	0.0546 (10)
N17	0.1986 (3)	0.4185 (2)	0.41882 (19)	0.0538 (10)
N18	0.1811 (3)	0.4788 (3)	0.2258 (2)	0.0631 (11)
H83	0.1504	0.5128	0.2521	0.076*
N19	0.1170 (4)	0.5271 (3)	0.1356 (3)	0.0804 (14)
H84A	0.1010	0.5161	0.0892	0.14 (3)*
H84B	0.0782	0.5537	0.1614	0.15 (3)*
N20	0.2374 (4)	0.4463 (3)	0.1199 (2)	0.0639 (12)
H85	0.233 (5)	0.455 (3)	0.079 (3)	0.10 (2)*
N21	0.3603 (4)	0.3657 (3)	0.0869 (2)	0.0785 (13)
H86	0.3679	0.3784	0.0486	0.094*
N22	0.3040 (3)	0.3656 (2)	0.18559 (19)	0.0510 (9)
B1	0.7048 (5)	−0.0634 (4)	0.4357 (3)	0.0558 (14)
H1B1	0.722 (4)	−0.084 (3)	0.476 (2)	0.067*
B2	0.2598 (5)	0.3507 (4)	0.4052 (3)	0.0574 (15)
H2B2	0.268 (4)	0.324 (3)	0.448 (2)	0.069*
C1	0.4978 (5)	−0.1283 (3)	0.5012 (3)	0.0785 (16)
H1A	0.5162	−0.1807	0.4873	0.118*
H1B	0.4248	−0.1362	0.5162	0.118*
H1C	0.5602	−0.0882	0.5406	0.118*
C2	0.4860 (4)	−0.0975 (3)	0.4400 (2)	0.0574 (12)
C3	0.3873 (5)	−0.0927 (3)	0.3996 (3)	0.0612 (13)
H3	0.3108	−0.1081	0.4057	0.073*
C4	0.4211 (4)	−0.0612 (3)	0.3485 (2)	0.0492 (11)
C5	0.3471 (4)	−0.0445 (3)	0.2930 (2)	0.0540 (12)
C6	0.2346 (5)	−0.0962 (4)	0.2619 (3)	0.0815 (17)
H6	0.2071	−0.1410	0.2777	0.098*
C7	0.1631 (5)	−0.0840 (4)	0.2093 (4)	0.0929 (19)
H7	0.0873	−0.1206	0.1885	0.111*
C8	0.1997 (6)	−0.0201 (5)	0.1867 (3)	0.0926 (19)
H8	0.1495	−0.0117	0.1503	0.111*
C9	0.3088 (6)	0.0327 (4)	0.2161 (3)	0.0891 (18)
H9	0.3344	0.0778	0.2003	0.107*
C10	0.3813 (5)	0.0199 (3)	0.2688 (3)	0.0681 (14)
H10	0.4570	0.0567	0.2890	0.082*
C11	0.9087 (5)	0.0436 (4)	0.5711 (3)	0.0807 (17)
H11A	0.8455	0.0239	0.5919	0.121*
H11B	0.9700	0.0883	0.6077	0.121*
H11C	0.9401	−0.0015	0.5510	0.121*
C12	0.8636 (4)	0.0743 (3)	0.5142 (2)	0.0598 (13)
C13	0.8958 (4)	0.1507 (3)	0.5074 (3)	0.0657 (14)
H13	0.9546	0.1975	0.5396	0.079*
C14	0.8265 (4)	0.1466 (3)	0.4449 (2)	0.0520 (11)
C15	0.8211 (4)	0.2112 (3)	0.4129 (2)	0.0535 (12)
C16	0.9183 (4)	0.2554 (3)	0.3985 (3)	0.0639 (13)
H16	0.9916	0.2474	0.4129	0.077*
C17	0.9092 (5)	0.3108 (3)	0.3632 (3)	0.0753 (16)
H17	0.9759	0.3400	0.3528	0.090*
C18	0.8057 (6)	0.3237 (3)	0.3436 (3)	0.0767 (16)
H18	0.8001	0.3621	0.3196	0.092*
C19	0.7090 (5)	0.2819 (3)	0.3581 (3)	0.0769 (16)
H19	0.6366	0.2913	0.3440	0.092*
C20	0.7160 (4)	0.2270 (3)	0.3928 (3)	0.0636 (13)
H20	0.6485	0.1991	0.4034	0.076*
C21	0.7657 (6)	−0.2326 (4)	0.4170 (3)	0.096 (2)
H21A	0.8210	−0.1977	0.4618	0.144*
H21B	0.7866	−0.2834	0.3989	0.144*
H21C	0.6875	−0.2458	0.4249	0.144*
C22	0.7687 (4)	−0.1878 (3)	0.3642 (3)	0.0647 (14)
C23	0.7961 (5)	−0.2089 (3)	0.3007 (3)	0.0696 (14)
H23	0.8187	−0.2562	0.2796	0.084*
C24	0.7846 (4)	−0.1472 (3)	0.2725 (2)	0.0548 (12)
C25	0.8040 (4)	−0.1398 (3)	0.2048 (3)	0.0611 (13)
C26	0.7818 (7)	−0.2085 (5)	0.1469 (3)	0.118 (3)
H26	0.7583	−0.2616	0.1509	0.141*
C27	0.7941 (9)	−0.1995 (6)	0.0818 (4)	0.148 (4)
H27	0.7792	−0.2471	0.0417	0.178*
C28	0.8260 (8)	−0.1262 (7)	0.0750 (4)	0.123 (3)
H28	0.8307	−0.1218	0.0299	0.147*
C29	0.8518 (5)	−0.0581 (5)	0.1311 (4)	0.096 (2)
H29	0.8764	−0.0057	0.1260	0.115*
C30	0.8424 (4)	−0.0643 (4)	0.1965 (3)	0.0732 (15)
H30	0.8626	−0.0159	0.2364	0.088*
C31	0.6950 (4)	0.0783 (3)	0.1986 (3)	0.0502 (11)
C32	0.5539 (4)	−0.0481 (3)	0.1473 (2)	0.0472 (11)
C33	0.4195 (4)	−0.1681 (3)	0.1054 (3)	0.0607 (13)
C34	0.4759 (4)	−0.1537 (3)	0.1759 (2)	0.0520 (11)
C35	0.4435 (4)	−0.2115 (3)	0.2083 (3)	0.0656 (14)
H35	0.4828	−0.2039	0.2551	0.079*
C36	0.3507 (5)	−0.2815 (3)	0.1697 (3)	0.0853 (18)
H36	0.3251	−0.3210	0.1915	0.102*
C37	0.2962 (6)	−0.2942 (4)	0.1012 (4)	0.103 (2)
H37	0.2338	−0.3424	0.0763	0.124*
C38	0.3304 (5)	−0.2379 (4)	0.0676 (3)	0.0892 (19)
H38	0.2936	−0.2473	0.0199	0.107*
C39	0.5069 (5)	0.3634 (4)	0.4944 (3)	0.0901 (19)
H39A	0.4810	0.3951	0.5336	0.135*
H39B	0.5895	0.3690	0.5099	0.135*
H39C	0.4624	0.3054	0.4795	0.135*
C40	0.4882 (4)	0.3947 (3)	0.4339 (3)	0.0610 (13)
C41	0.5672 (5)	0.4330 (3)	0.4044 (3)	0.0655 (14)
H41	0.6491	0.4448	0.4181	0.079*
C42	0.5045 (4)	0.4513 (3)	0.3503 (3)	0.0575 (12)
C43	0.5462 (4)	0.4931 (3)	0.3018 (3)	0.0676 (14)
C44	0.5023 (6)	0.5532 (4)	0.2889 (4)	0.097 (2)
H44	0.4447	0.5688	0.3115	0.116*
C45	0.5427 (8)	0.5922 (5)	0.2418 (5)	0.133 (3)
H45	0.5124	0.6337	0.2318	0.160*
C46	0.6254 (9)	0.5687 (7)	0.2115 (5)	0.142 (4)
H46	0.6560	0.5972	0.1822	0.170*
C47	0.6665 (7)	0.5081 (6)	0.2201 (4)	0.129 (3)
H47	0.7209	0.4912	0.1952	0.155*
C48	0.6279 (5)	0.4704 (4)	0.2666 (4)	0.097 (2)
H48	0.6580	0.4279	0.2746	0.117*
C49	0.1815 (7)	0.1563 (4)	0.3762 (3)	0.110 (2)
H49A	0.1905	0.1026	0.3522	0.166*
H49B	0.1184	0.1491	0.4002	0.166*
H49C	0.2538	0.1905	0.4110	0.166*
C50	0.1539 (5)	0.1972 (3)	0.3231 (3)	0.0712 (15)
C51	0.0933 (5)	0.1628 (3)	0.2535 (3)	0.0799 (17)
H51	0.0569	0.1061	0.2288	0.096*
C52	0.0949 (4)	0.2258 (3)	0.2265 (3)	0.0606 (13)
C53	0.0419 (5)	0.2228 (4)	0.1557 (3)	0.0794 (17)
C54	−0.0021 (5)	0.2841 (5)	0.1459 (4)	0.110 (3)
H54	0.0003	0.3289	0.1856	0.132*
C55	−0.0512 (8)	0.2809 (8)	0.0769 (6)	0.168 (5)
H55	−0.0769	0.3255	0.0701	0.202*
C56	−0.0618 (11)	0.2165 (12)	0.0217 (7)	0.205 (8)
H56	−0.0978	0.2143	−0.0243	0.246*
C57	−0.0211 (8)	0.1526 (9)	0.0301 (5)	0.177 (6)
H57	−0.0291	0.1066	−0.0101	0.213*
C58	0.0326 (6)	0.1549 (6)	0.0981 (4)	0.120 (3)
H58	0.0615	0.1113	0.1043	0.144*
C59	0.1576 (5)	0.4184 (3)	0.5364 (2)	0.0702 (15)
H59A	0.0953	0.3667	0.5206	0.105*
H59B	0.1429	0.4579	0.5762	0.105*
H59C	0.2319	0.4085	0.5515	0.105*
C60	0.1618 (4)	0.4527 (3)	0.4763 (2)	0.0528 (12)
C61	0.1267 (4)	0.5172 (3)	0.4666 (2)	0.0560 (12)
H61	0.0964	0.5529	0.4982	0.067*
C62	0.1439 (4)	0.5205 (3)	0.4014 (2)	0.0518 (11)
C63	0.1206 (4)	0.5798 (3)	0.3659 (2)	0.0552 (12)
C64	0.0123 (5)	0.5700 (4)	0.3279 (3)	0.0761 (16)
H64	−0.0503	0.5259	0.3264	0.091*
C65	−0.0086 (6)	0.6227 (4)	0.2917 (3)	0.0919 (19)
H65	−0.0846	0.6145	0.2654	0.110*
C66	0.0789 (7)	0.6854 (4)	0.2937 (4)	0.099 (2)
H66	0.0639	0.7223	0.2697	0.118*
C67	0.1892 (7)	0.6971 (4)	0.3299 (4)	0.112 (3)
H67	0.2511	0.7407	0.3300	0.135*
C68	0.2095 (6)	0.6447 (3)	0.3663 (3)	0.094 (2)
H68	0.2860	0.6532	0.3922	0.112*
C69	0.1771 (4)	0.4832 (3)	0.1629 (3)	0.0563 (12)
C70	0.2982 (4)	0.3943 (3)	0.1325 (2)	0.0559 (12)
C71	0.3745 (4)	0.3133 (3)	0.1724 (3)	0.0577 (12)
C72	0.4106 (5)	0.2666 (3)	0.2105 (3)	0.0743 (15)
H72	0.3867	0.2650	0.2525	0.089*
C73	0.4836 (6)	0.2217 (4)	0.1849 (4)	0.094 (2)
H73	0.5109	0.1894	0.2103	0.112*
C74	0.5166 (7)	0.2229 (5)	0.1247 (4)	0.113 (2)
H74	0.5662	0.1912	0.1088	0.135*
C75	0.4803 (7)	0.2684 (5)	0.0863 (4)	0.116 (3)
H75	0.5033	0.2689	0.0439	0.140*
C76	0.4096 (5)	0.3133 (3)	0.1114 (3)	0.0739 (15)
C77	0.3181 (7)	0.0000 (5)	0.0165 (4)	0.125 (3)
H77A	0.2449	−0.0275	0.0247	0.187*
H77B	0.3042	0.0366	−0.0102	0.187*
H77C	0.3733	0.0321	0.0620	0.187*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0531 (4)	0.0527 (4)	0.0390 (4)	0.0143 (3)	0.0110 (3)	0.0224 (3)
Co2	0.0504 (4)	0.0635 (4)	0.0437 (4)	0.0187 (3)	0.0079 (3)	0.0275 (3)
Cl	0.186 (3)	0.370 (5)	0.133 (3)	0.151 (3)	0.045 (2)	0.106 (3)
O1	0.53 (2)	0.55 (2)	0.096 (6)	0.323 (19)	−0.127 (9)	−0.079 (9)
O2	0.255 (9)	0.583 (19)	0.204 (8)	0.190 (11)	0.019 (7)	0.269 (11)
O3	0.363 (14)	0.98 (4)	0.171 (8)	0.39 (2)	0.198 (10)	0.259 (15)
O4	0.79 (4)	0.47 (2)	0.360 (18)	0.26 (2)	0.35 (2)	0.29 (2)
O5	0.093 (3)	0.104 (3)	0.051 (2)	0.024 (2)	0.014 (2)	0.045 (2)
O6	0.382 (15)	0.288 (11)	0.374 (14)	0.095 (11)	0.116 (12)	0.231 (12)
N1	0.056 (2)	0.054 (2)	0.039 (2)	0.0135 (18)	0.0131 (18)	0.0204 (18)
N2	0.058 (2)	0.057 (2)	0.038 (2)	0.0097 (19)	0.0107 (18)	0.0238 (18)
N3	0.056 (2)	0.052 (2)	0.042 (2)	0.0064 (19)	0.0039 (18)	0.0179 (19)
N4	0.059 (2)	0.059 (2)	0.038 (2)	0.010 (2)	0.0056 (19)	0.0226 (19)
N5	0.056 (2)	0.056 (2)	0.039 (2)	0.0158 (19)	0.0067 (18)	0.0223 (19)
N6	0.059 (2)	0.055 (2)	0.048 (2)	0.0196 (19)	0.0050 (19)	0.0261 (19)
N7	0.076 (3)	0.050 (2)	0.038 (2)	0.004 (2)	0.007 (2)	0.0137 (18)
N8	0.089 (3)	0.072 (3)	0.054 (3)	−0.004 (3)	0.014 (3)	0.033 (2)
N9	0.057 (2)	0.058 (2)	0.040 (2)	0.008 (2)	0.0096 (19)	0.026 (2)
N10	0.070 (3)	0.071 (3)	0.042 (3)	0.007 (2)	−0.001 (2)	0.028 (2)
N11	0.050 (2)	0.048 (2)	0.042 (2)	0.0125 (18)	0.0107 (17)	0.0220 (18)
N12	0.053 (2)	0.065 (3)	0.044 (2)	0.022 (2)	0.0069 (18)	0.020 (2)
N13	0.059 (3)	0.072 (3)	0.043 (2)	0.028 (2)	0.0064 (19)	0.028 (2)
N14	0.055 (2)	0.066 (3)	0.042 (2)	0.016 (2)	0.0099 (19)	0.027 (2)
N15	0.070 (3)	0.062 (3)	0.047 (2)	0.024 (2)	0.016 (2)	0.028 (2)
N16	0.065 (2)	0.070 (3)	0.043 (2)	0.032 (2)	0.0147 (19)	0.030 (2)
N17	0.061 (2)	0.068 (3)	0.042 (2)	0.025 (2)	0.0139 (19)	0.026 (2)
N18	0.080 (3)	0.082 (3)	0.045 (2)	0.038 (2)	0.020 (2)	0.032 (2)
N19	0.102 (4)	0.098 (4)	0.063 (3)	0.048 (3)	0.017 (3)	0.047 (3)
N20	0.083 (3)	0.079 (3)	0.043 (3)	0.030 (3)	0.017 (2)	0.033 (2)
N21	0.104 (4)	0.094 (3)	0.055 (3)	0.044 (3)	0.036 (3)	0.029 (3)
N22	0.051 (2)	0.056 (2)	0.047 (2)	0.0120 (19)	0.0083 (18)	0.0236 (19)
B1	0.069 (4)	0.063 (4)	0.038 (3)	0.016 (3)	0.005 (3)	0.027 (3)
B2	0.069 (4)	0.070 (4)	0.045 (3)	0.030 (3)	0.011 (3)	0.031 (3)
C1	0.096 (4)	0.085 (4)	0.067 (4)	0.018 (3)	0.031 (3)	0.045 (3)
C2	0.073 (3)	0.057 (3)	0.046 (3)	0.012 (3)	0.023 (3)	0.022 (2)
C3	0.063 (3)	0.060 (3)	0.064 (3)	0.010 (3)	0.026 (3)	0.026 (3)
C4	0.051 (3)	0.044 (3)	0.050 (3)	0.008 (2)	0.014 (2)	0.015 (2)
C5	0.052 (3)	0.055 (3)	0.058 (3)	0.017 (2)	0.018 (2)	0.018 (2)
C6	0.061 (4)	0.086 (4)	0.097 (5)	0.012 (3)	0.009 (3)	0.041 (4)
C7	0.063 (4)	0.105 (5)	0.102 (5)	0.021 (4)	0.000 (4)	0.036 (4)
C8	0.091 (5)	0.121 (6)	0.082 (5)	0.055 (5)	0.013 (4)	0.044 (4)
C9	0.093 (5)	0.101 (5)	0.102 (5)	0.042 (4)	0.027 (4)	0.063 (4)
C10	0.064 (3)	0.070 (3)	0.077 (4)	0.019 (3)	0.021 (3)	0.032 (3)
C11	0.080 (4)	0.095 (4)	0.053 (3)	0.011 (3)	−0.009 (3)	0.028 (3)
C12	0.054 (3)	0.074 (4)	0.047 (3)	0.012 (3)	0.004 (2)	0.021 (3)
C13	0.054 (3)	0.071 (4)	0.053 (3)	0.004 (3)	−0.002 (3)	0.013 (3)
C14	0.051 (3)	0.055 (3)	0.046 (3)	0.010 (2)	0.012 (2)	0.014 (2)
C15	0.057 (3)	0.047 (3)	0.046 (3)	0.006 (2)	0.010 (2)	0.008 (2)
C16	0.048 (3)	0.067 (3)	0.065 (3)	0.003 (2)	0.004 (2)	0.020 (3)
C17	0.072 (4)	0.062 (3)	0.080 (4)	−0.004 (3)	0.015 (3)	0.025 (3)
C18	0.093 (5)	0.060 (3)	0.079 (4)	0.019 (3)	0.012 (3)	0.032 (3)
C19	0.076 (4)	0.080 (4)	0.085 (4)	0.035 (3)	0.018 (3)	0.032 (3)
C20	0.053 (3)	0.068 (3)	0.074 (4)	0.018 (3)	0.023 (3)	0.025 (3)
C21	0.127 (5)	0.089 (4)	0.096 (5)	0.045 (4)	0.021 (4)	0.057 (4)
C22	0.073 (3)	0.060 (3)	0.065 (4)	0.020 (3)	0.008 (3)	0.032 (3)
C23	0.079 (4)	0.060 (3)	0.070 (4)	0.029 (3)	0.008 (3)	0.020 (3)
C24	0.056 (3)	0.058 (3)	0.048 (3)	0.017 (2)	0.005 (2)	0.019 (2)
C25	0.057 (3)	0.071 (4)	0.058 (3)	0.027 (3)	0.016 (3)	0.018 (3)
C26	0.183 (8)	0.096 (5)	0.063 (4)	0.037 (5)	0.037 (5)	0.010 (4)
C27	0.219 (10)	0.139 (8)	0.071 (6)	0.049 (8)	0.048 (6)	0.006 (5)
C28	0.142 (7)	0.189 (10)	0.073 (5)	0.078 (7)	0.049 (5)	0.061 (6)
C29	0.092 (5)	0.143 (6)	0.092 (5)	0.056 (4)	0.047 (4)	0.067 (5)
C30	0.070 (4)	0.093 (4)	0.071 (4)	0.030 (3)	0.027 (3)	0.038 (3)
C31	0.054 (3)	0.051 (3)	0.051 (3)	0.015 (2)	0.013 (2)	0.025 (2)
C32	0.051 (3)	0.055 (3)	0.039 (3)	0.020 (2)	0.011 (2)	0.017 (2)
C33	0.061 (3)	0.061 (3)	0.052 (3)	0.006 (3)	0.002 (3)	0.020 (3)
C34	0.054 (3)	0.053 (3)	0.048 (3)	0.013 (2)	0.009 (2)	0.019 (2)
C35	0.075 (3)	0.055 (3)	0.067 (3)	0.014 (3)	0.014 (3)	0.025 (3)
C36	0.097 (4)	0.063 (4)	0.084 (4)	−0.003 (3)	0.013 (4)	0.031 (3)
C37	0.101 (5)	0.073 (4)	0.097 (5)	−0.022 (4)	−0.008 (4)	0.027 (4)
C38	0.088 (4)	0.081 (4)	0.068 (4)	−0.009 (3)	−0.011 (3)	0.022 (3)
C39	0.100 (5)	0.113 (5)	0.068 (4)	0.047 (4)	−0.005 (3)	0.047 (4)
C40	0.063 (3)	0.062 (3)	0.052 (3)	0.024 (3)	−0.007 (3)	0.016 (3)
C41	0.055 (3)	0.066 (3)	0.068 (4)	0.022 (3)	−0.003 (3)	0.018 (3)
C42	0.052 (3)	0.056 (3)	0.058 (3)	0.015 (2)	0.002 (2)	0.016 (3)
C43	0.045 (3)	0.068 (4)	0.077 (4)	0.001 (3)	−0.004 (3)	0.029 (3)
C44	0.084 (4)	0.087 (4)	0.115 (5)	0.010 (4)	0.002 (4)	0.052 (4)
C45	0.120 (7)	0.116 (6)	0.162 (9)	0.006 (6)	−0.004 (6)	0.086 (6)
C46	0.118 (8)	0.152 (9)	0.150 (8)	−0.019 (6)	0.009 (6)	0.100 (8)
C47	0.107 (6)	0.158 (8)	0.127 (7)	0.003 (6)	0.044 (5)	0.072 (6)
C48	0.073 (4)	0.116 (5)	0.106 (5)	0.016 (4)	0.023 (4)	0.050 (4)
C49	0.186 (7)	0.082 (4)	0.091 (5)	0.057 (5)	0.035 (5)	0.056 (4)
C50	0.103 (4)	0.057 (3)	0.063 (4)	0.027 (3)	0.027 (3)	0.027 (3)
C51	0.114 (5)	0.055 (3)	0.062 (4)	0.011 (3)	0.025 (3)	0.014 (3)
C52	0.056 (3)	0.071 (4)	0.049 (3)	0.005 (3)	0.013 (2)	0.022 (3)
C53	0.051 (3)	0.109 (5)	0.061 (4)	−0.005 (3)	0.005 (3)	0.029 (4)
C54	0.076 (4)	0.137 (6)	0.093 (5)	−0.015 (4)	−0.023 (4)	0.063 (5)
C55	0.112 (7)	0.218 (12)	0.134 (8)	−0.035 (7)	−0.052 (7)	0.105 (9)
C56	0.108 (9)	0.38 (3)	0.113 (9)	0.036 (11)	−0.015 (7)	0.120 (13)
C57	0.094 (7)	0.314 (17)	0.057 (6)	0.015 (8)	0.010 (5)	0.000 (7)
C58	0.084 (5)	0.193 (8)	0.064 (5)	0.027 (5)	0.016 (4)	0.023 (5)
C59	0.080 (4)	0.086 (4)	0.048 (3)	0.016 (3)	0.018 (3)	0.032 (3)
C60	0.048 (3)	0.064 (3)	0.044 (3)	0.010 (2)	0.009 (2)	0.022 (2)
C61	0.053 (3)	0.064 (3)	0.050 (3)	0.016 (2)	0.015 (2)	0.016 (2)
C62	0.051 (3)	0.061 (3)	0.046 (3)	0.018 (2)	0.008 (2)	0.024 (2)
C63	0.063 (3)	0.058 (3)	0.047 (3)	0.026 (3)	0.011 (2)	0.016 (2)
C64	0.072 (4)	0.100 (4)	0.076 (4)	0.033 (3)	0.022 (3)	0.050 (3)
C65	0.082 (4)	0.120 (6)	0.100 (5)	0.053 (4)	0.021 (4)	0.057 (4)
C66	0.127 (6)	0.076 (4)	0.104 (5)	0.041 (4)	0.010 (5)	0.046 (4)
C67	0.124 (6)	0.066 (4)	0.125 (6)	0.000 (4)	−0.020 (5)	0.048 (4)
C68	0.093 (4)	0.061 (4)	0.102 (5)	0.002 (3)	−0.022 (4)	0.032 (4)
C69	0.061 (3)	0.060 (3)	0.051 (3)	0.017 (3)	0.009 (3)	0.027 (3)
C70	0.063 (3)	0.055 (3)	0.049 (3)	0.016 (2)	0.015 (3)	0.016 (2)
C71	0.055 (3)	0.055 (3)	0.056 (3)	0.016 (2)	0.007 (2)	0.011 (2)
C72	0.077 (4)	0.069 (4)	0.077 (4)	0.028 (3)	0.006 (3)	0.024 (3)
C73	0.093 (5)	0.072 (4)	0.112 (6)	0.042 (4)	0.005 (4)	0.023 (4)
C74	0.121 (6)	0.116 (6)	0.115 (6)	0.069 (5)	0.042 (5)	0.025 (5)
C75	0.153 (7)	0.135 (6)	0.101 (5)	0.087 (6)	0.070 (5)	0.041 (5)
C76	0.089 (4)	0.076 (4)	0.067 (4)	0.038 (3)	0.028 (3)	0.023 (3)
C77	0.156 (7)	0.177 (8)	0.082 (5)	0.090 (6)	0.047 (5)	0.061 (5)

Geometric parameters (Å, º) top

Co1—N1	2.084 (4)	C19—C20	1.360 (7)
Co1—N3	2.299 (4)	C19—H19	0.9500
Co1—N5	2.076 (4)	C20—H20	0.9500
Co1—N7	1.963 (4)	C21—C22	1.504 (7)
Co1—N11	2.018 (4)	C21—H21A	0.9800
Co2—N12	2.052 (4)	C21—H21B	0.9800
Co2—N14	2.062 (4)	C21—H21C	0.9800
Co2—N16	2.235 (4)	C22—C23	1.356 (7)
Co2—N18	1.972 (4)	C23—C24	1.392 (6)
Co2—N22	2.047 (4)	C23—H23	0.9500
Cl—O3	1.326 (8)	C24—C25	1.467 (7)
Cl—O1	1.351 (10)	C25—C26	1.370 (8)
Cl—O2	1.368 (7)	C25—C30	1.380 (7)
Cl—O4	1.674 (14)	C26—C27	1.403 (10)
O5—C77	1.397 (8)	C26—H26	0.9500
O5—H5	0.8400	C27—C28	1.321 (11)
N1—C4	1.338 (5)	C27—H27	0.9500
N1—N2	1.380 (4)	C28—C29	1.339 (10)
N2—C2	1.357 (5)	C28—H28	0.9500
N2—B1	1.535 (7)	C29—C30	1.384 (7)
N3—C14	1.332 (5)	C29—H29	0.9500
N3—N4	1.374 (5)	C30—H30	0.9500
N4—C12	1.352 (6)	C33—C38	1.374 (7)
N4—B1	1.537 (7)	C33—C34	1.409 (6)
N5—C24	1.331 (6)	C34—C35	1.383 (6)
N5—N6	1.370 (5)	C35—C36	1.401 (7)
N6—C22	1.347 (6)	C35—H35	0.9500
N6—B1	1.534 (7)	C36—C37	1.374 (8)
N7—C31	1.310 (5)	C36—H36	0.9500
N7—H80	0.8800	C37—C38	1.385 (8)
N8—C31	1.366 (5)	C37—H37	0.9500
N8—H81A	0.9230	C38—H38	0.9500
N8—H81B	0.8294	C39—C40	1.490 (7)
N9—C31	1.331 (6)	C39—H39A	0.9800
N9—C32	1.345 (5)	C39—H39B	0.9800
N10—C32	1.352 (6)	C39—H39C	0.9800
N10—C33	1.362 (6)	C40—C41	1.367 (7)
N10—H82	0.80 (4)	C41—C42	1.393 (6)
N11—C32	1.337 (5)	C41—H41	0.9500
N11—C34	1.392 (5)	C42—C43	1.475 (7)
N12—C42	1.334 (6)	C43—C44	1.365 (8)
N12—N13	1.371 (5)	C43—C48	1.385 (8)
N13—C40	1.354 (5)	C44—C45	1.415 (10)
N13—B2	1.535 (7)	C44—H44	0.9500
N14—C52	1.339 (6)	C45—C46	1.349 (12)
N14—N15	1.373 (5)	C45—H45	0.9500
N15—C50	1.359 (6)	C46—C47	1.326 (12)
N15—B2	1.543 (7)	C46—H46	0.9500
N16—C62	1.341 (6)	C47—C48	1.385 (9)
N16—N17	1.375 (5)	C47—H47	0.9500
N17—C60	1.351 (6)	C48—H48	0.9500
N17—B2	1.539 (7)	C49—C50	1.495 (7)
N18—C69	1.295 (6)	C49—H49A	0.9800
N18—H83	0.8800	C49—H49B	0.9800
N19—C69	1.349 (6)	C49—H49C	0.9800
N19—H84A	0.8853	C50—C51	1.373 (7)
N19—H84B	0.8732	C51—C52	1.372 (7)
N20—C69	1.355 (6)	C51—H51	0.9500
N20—C70	1.360 (6)	C52—C53	1.458 (7)
N20—H85	0.88 (5)	C53—C54	1.364 (9)
N21—C70	1.351 (6)	C53—C58	1.390 (9)
N21—C76	1.375 (6)	C54—C55	1.413 (10)
N21—H86	0.8800	C54—H54	0.9500
N22—C70	1.313 (5)	C55—C56	1.320 (18)
N22—C71	1.404 (6)	C55—H55	0.9500
B1—H1B1	1.01 (4)	C56—C57	1.378 (18)
B2—H2B2	1.11 (4)	C56—H56	0.9500
C1—C2	1.490 (6)	C57—C58	1.415 (11)
C1—H1A	0.9800	C57—H57	0.9500
C1—H1B	0.9800	C58—H58	0.9500
C1—H1C	0.9800	C59—C60	1.512 (6)
C2—C3	1.378 (6)	C59—H59A	0.9800
C3—C4	1.385 (6)	C59—H59B	0.9800
C3—H3	0.9500	C59—H59C	0.9800
C4—C5	1.468 (6)	C60—C61	1.360 (6)
C5—C10	1.372 (6)	C61—C62	1.388 (6)
C5—C6	1.395 (7)	C61—H61	0.9500
C6—C7	1.365 (8)	C62—C63	1.484 (6)
C6—H6	0.9500	C63—C64	1.366 (7)
C7—C8	1.348 (8)	C63—C68	1.387 (7)
C7—H7	0.9500	C64—C65	1.383 (7)
C8—C9	1.366 (8)	C64—H64	0.9500
C8—H8	0.9500	C65—C66	1.341 (8)
C9—C10	1.379 (7)	C65—H65	0.9500
C9—H9	0.9500	C66—C67	1.365 (9)
C10—H10	0.9500	C66—H66	0.9500
C11—C12	1.487 (6)	C67—C68	1.379 (8)
C11—H11A	0.9800	C67—H67	0.9500
C11—H11B	0.9800	C68—H68	0.9500
C11—H11C	0.9800	C71—C76	1.374 (7)
C12—C13	1.376 (7)	C71—C72	1.378 (7)
C13—C14	1.380 (6)	C72—C73	1.392 (8)
C13—H13	0.9500	C72—H72	0.9500
C14—C15	1.474 (6)	C73—C74	1.350 (9)
C15—C16	1.389 (6)	C73—H73	0.9500
C15—C20	1.396 (6)	C74—C75	1.363 (9)
C16—C17	1.381 (7)	C74—H74	0.9500
C16—H16	0.9500	C75—C76	1.365 (8)
C17—C18	1.352 (7)	C75—H75	0.9500
C17—H17	0.9500	C77—H77A	0.9800
C18—C19	1.365 (7)	C77—H77B	0.9800
C18—H18	0.9500	C77—H77C	0.9800

N1—Co1—N5	95.0 (1)	C22—C23—C24	106.1 (5)
N1—Co1—N11	98.8 (1)	C22—C23—H23	126.9
N3—Co1—N11	174.8 (1)	C24—C23—H23	126.9
N5—Co1—N11	100.0 (1)	N5—C24—C23	109.6 (4)
N7—Co1—N11	87.5 (2)	N5—C24—C25	121.8 (4)
N5—Co1—N7	121.4 (2)	C23—C24—C25	128.6 (5)
N12—Co2—N14	95.8 (2)	C26—C25—C30	117.8 (5)
N14—Co2—N18	126.8 (2)	C26—C25—C24	120.5 (5)
N12—Co2—N22	95.9 (2)	C30—C25—C24	121.6 (5)
N14—Co2—N22	97.7 (2)	C25—C26—C27	119.3 (7)
N16—Co2—N22	177.2 (1)	C25—C26—H26	120.4
N18—Co2—N22	88.0 (2)	C27—C26—H26	120.4
N7—Co1—N1	141.55 (16)	C28—C27—C26	121.4 (8)
N7—Co1—N3	90.18 (14)	C28—C27—H27	119.3
N5—Co1—N3	85.19 (14)	C26—C27—H27	119.3
N1—Co1—N3	80.24 (14)	C27—C28—C29	120.6 (8)
N18—Co2—N12	136.33 (17)	C27—C28—H28	119.7
N18—Co2—N16	92.92 (15)	C29—C28—H28	119.7
N12—Co2—N16	81.67 (14)	C28—C29—C30	119.8 (7)
N14—Co2—N16	83.86 (15)	C28—C29—H29	120.1
O3—Cl—O1	105.4 (11)	C30—C29—H29	120.1
O3—Cl—O2	99.0 (6)	C25—C30—C29	121.0 (6)
O1—Cl—O2	126.6 (8)	C25—C30—H30	119.5
O3—Cl—O4	117.7 (11)	C29—C30—H30	119.5
O1—Cl—O4	106.0 (9)	N7—C31—N9	126.5 (4)
O2—Cl—O4	103.1 (10)	N7—C31—N8	119.5 (4)
C77—O5—H5	109.5	N9—C31—N8	114.0 (4)
C4—N1—N2	106.7 (3)	N11—C32—N9	130.4 (4)
C4—N1—Co1	136.3 (3)	N11—C32—N10	111.1 (4)
N2—N1—Co1	116.6 (3)	N9—C32—N10	118.5 (4)
C2—N2—N1	109.5 (4)	N10—C33—C38	133.2 (5)
C2—N2—B1	130.0 (4)	N10—C33—C34	105.1 (4)
N1—N2—B1	120.4 (4)	C38—C33—C34	121.7 (5)
C14—N3—N4	106.6 (3)	C35—C34—N11	131.1 (4)
C14—N3—Co1	138.0 (3)	C35—C34—C33	119.9 (4)
N4—N3—Co1	112.1 (3)	N11—C34—C33	108.9 (4)
C12—N4—N3	109.9 (4)	C34—C35—C36	117.8 (5)
C12—N4—B1	131.1 (4)	C34—C35—H35	121.1
N3—N4—B1	119.0 (4)	C36—C35—H35	121.1
C24—N5—N6	106.6 (4)	C37—C36—C35	121.4 (5)
C24—N5—Co1	131.8 (3)	C37—C36—H36	119.3
N6—N5—Co1	116.4 (3)	C35—C36—H36	119.3
C22—N6—N5	109.4 (4)	C36—C37—C38	121.2 (5)
C22—N6—B1	131.8 (4)	C36—C37—H37	119.4
N5—N6—B1	118.8 (4)	C38—C37—H37	119.4
C31—N7—Co1	130.1 (3)	C33—C38—C37	117.9 (5)
C31—N7—H80	115.0	C33—C38—H38	121.0
Co1—N7—H80	115.0	C37—C38—H38	121.0
C31—N8—H81A	116.7	C40—C39—H39A	109.5
C31—N8—H81B	124.5	C40—C39—H39B	109.5
H81A—N8—H81B	114.9	H39A—C39—H39B	109.5
C31—N9—C32	121.0 (4)	C40—C39—H39C	109.5
C32—N10—C33	109.2 (4)	H39A—C39—H39C	109.5
C32—N10—H82	120 (3)	H39B—C39—H39C	109.5
C33—N10—H82	130 (3)	N13—C40—C41	107.5 (4)
C32—N11—C34	105.7 (4)	N13—C40—C39	122.7 (5)
C32—N11—Co1	123.7 (3)	C41—C40—C39	129.8 (5)
C34—N11—Co1	130.0 (3)	C40—C41—C42	106.7 (4)
C42—N12—N13	106.9 (4)	C40—C41—H41	126.7
C42—N12—Co2	133.9 (3)	C42—C41—H41	126.7
N13—N12—Co2	118.5 (3)	N12—C42—C41	109.3 (5)
C40—N13—N12	109.6 (4)	N12—C42—C43	121.1 (4)
C40—N13—B2	131.7 (4)	C41—C42—C43	129.6 (5)
N12—N13—B2	118.7 (4)	C44—C43—C48	118.5 (6)
C52—N14—N15	106.7 (4)	C44—C43—C42	120.7 (6)
C52—N14—Co2	132.8 (3)	C48—C43—C42	120.8 (5)
N15—N14—Co2	116.2 (3)	C43—C44—C45	119.9 (7)
C50—N15—N14	109.4 (4)	C43—C44—H44	120.1
C50—N15—B2	131.6 (4)	C45—C44—H44	120.1
N14—N15—B2	119.1 (4)	C46—C45—C44	118.1 (8)
C62—N16—N17	105.5 (3)	C46—C45—H45	121.0
C62—N16—Co2	140.4 (3)	C44—C45—H45	121.0
N17—N16—Co2	114.0 (3)	C47—C46—C45	123.9 (9)
C60—N17—N16	110.2 (4)	C47—C46—H46	118.1
C60—N17—B2	129.9 (4)	C45—C46—H46	118.1
N16—N17—B2	119.5 (4)	C46—C47—C48	118.0 (9)
C69—N18—Co2	131.2 (4)	C46—C47—H47	121.0
C69—N18—H83	114.4	C48—C47—H47	121.0
Co2—N18—H83	114.4	C47—C48—C43	121.5 (7)
C69—N19—H84A	117.9	C47—C48—H48	119.3
C69—N19—H84B	118.7	C43—C48—H48	119.3
H84A—N19—H84B	120.7	C50—C49—H49A	109.5
C69—N20—C70	126.2 (4)	C50—C49—H49B	109.5
C69—N20—H85	116 (4)	H49A—C49—H49B	109.5
C70—N20—H85	118 (4)	C50—C49—H49C	109.5
C70—N21—C76	107.4 (4)	H49A—C49—H49C	109.5
C70—N21—H86	126.3	H49B—C49—H49C	109.5
C76—N21—H86	126.3	N15—C50—C51	107.0 (4)
C70—N22—C71	104.2 (4)	N15—C50—C49	123.6 (5)
C70—N22—Co2	123.9 (3)	C51—C50—C49	129.4 (5)
C71—N22—Co2	131.0 (3)	C52—C51—C50	107.2 (5)
N6—B1—N2	110.0 (4)	C52—C51—H51	126.4
N6—B1—N4	109.4 (4)	C50—C51—H51	126.4
N2—B1—N4	109.4 (4)	N14—C52—C51	109.7 (4)
N6—B1—H1B1	107 (3)	N14—C52—C53	120.9 (5)
N2—B1—H1B1	112 (3)	C51—C52—C53	129.3 (5)
N4—B1—H1B1	109 (3)	C54—C53—C58	120.0 (7)
N13—B2—N17	108.1 (4)	C54—C53—C52	120.8 (6)
N13—B2—N15	110.0 (4)	C58—C53—C52	119.2 (7)
N17—B2—N15	109.8 (4)	C53—C54—C55	120.0 (9)
N13—B2—H2B2	109 (2)	C53—C54—H54	120.0
N17—B2—H2B2	113 (2)	C55—C54—H54	120.0
N15—B2—H2B2	107 (2)	C56—C55—C54	120.7 (13)
C2—C1—H1A	109.5	C56—C55—H55	119.7
C2—C1—H1B	109.5	C54—C55—H55	119.7
H1A—C1—H1B	109.5	C55—C56—C57	120.6 (12)
C2—C1—H1C	109.5	C55—C56—H56	119.7
H1A—C1—H1C	109.5	C57—C56—H56	119.7
H1B—C1—H1C	109.5	C56—C57—C58	120.4 (12)
N2—C2—C3	107.2 (4)	C56—C57—H57	119.8
N2—C2—C1	124.0 (5)	C58—C57—H57	119.8
C3—C2—C1	128.7 (5)	C53—C58—C57	118.2 (9)
C2—C3—C4	106.8 (4)	C53—C58—H58	120.9
C2—C3—H3	126.6	C57—C58—H58	120.9
C4—C3—H3	126.6	C60—C59—H59A	109.5
N1—C4—C3	109.8 (4)	C60—C59—H59B	109.5
N1—C4—C5	122.8 (4)	H59A—C59—H59B	109.5
C3—C4—C5	127.4 (4)	C60—C59—H59C	109.5
C10—C5—C6	116.5 (5)	H59A—C59—H59C	109.5
C10—C5—C4	124.0 (4)	H59B—C59—H59C	109.5
C6—C5—C4	119.4 (4)	N17—C60—C61	107.7 (4)
C7—C6—C5	121.6 (6)	N17—C60—C59	123.0 (4)
C7—C6—H6	119.2	C61—C60—C59	129.2 (5)
C5—C6—H6	119.2	C60—C61—C62	106.3 (4)
C8—C7—C6	120.2 (6)	C60—C61—H61	126.9
C8—C7—H7	119.9	C62—C61—H61	126.9
C6—C7—H7	119.9	N16—C62—C61	110.3 (4)
C7—C8—C9	120.4 (6)	N16—C62—C63	121.5 (4)
C7—C8—H8	119.8	C61—C62—C63	128.3 (4)
C9—C8—H8	119.8	C64—C63—C68	117.3 (5)
C8—C9—C10	119.4 (6)	C64—C63—C62	121.4 (5)
C8—C9—H9	120.3	C68—C63—C62	121.2 (5)
C10—C9—H9	120.3	C63—C64—C65	121.6 (6)
C5—C10—C9	121.9 (5)	C63—C64—H64	119.2
C5—C10—H10	119.1	C65—C64—H64	119.2
C9—C10—H10	119.1	C66—C65—C64	119.8 (6)
C12—C11—H11A	109.5	C66—C65—H65	120.1
C12—C11—H11B	109.5	C64—C65—H65	120.1
H11A—C11—H11B	109.5	C65—C66—C67	120.9 (6)
C12—C11—H11C	109.5	C65—C66—H66	119.5
H11A—C11—H11C	109.5	C67—C66—H66	119.5
H11B—C11—H11C	109.5	C66—C67—C68	119.1 (6)
N4—C12—C13	106.9 (4)	C66—C67—H67	120.4
N4—C12—C11	122.9 (5)	C68—C67—H67	120.4
C13—C12—C11	130.3 (5)	C67—C68—C63	121.3 (6)
C12—C13—C14	106.9 (4)	C67—C68—H68	119.4
C12—C13—H13	126.5	C63—C68—H68	119.4
C14—C13—H13	126.5	N18—C69—N19	123.3 (5)
N3—C14—C13	109.7 (4)	N18—C69—N20	122.2 (4)
N3—C14—C15	120.3 (4)	N19—C69—N20	114.4 (5)
C13—C14—C15	130.0 (4)	N22—C70—N21	112.9 (4)
C16—C15—C20	117.6 (5)	N22—C70—N20	127.1 (5)
C16—C15—C14	121.5 (4)	N21—C70—N20	119.9 (4)
C20—C15—C14	120.8 (4)	C76—C71—C72	119.8 (5)
C17—C16—C15	120.4 (5)	C76—C71—N22	110.0 (4)
C17—C16—H16	119.8	C72—C71—N22	130.1 (5)
C15—C16—H16	119.8	C71—C72—C73	117.1 (6)
C18—C17—C16	120.3 (5)	C71—C72—H72	121.4
C18—C17—H17	119.9	C73—C72—H72	121.4
C16—C17—H17	119.9	C74—C73—C72	121.7 (6)
C17—C18—C19	120.5 (5)	C74—C73—H73	119.2
C17—C18—H18	119.8	C72—C73—H73	119.2
C19—C18—H18	119.8	C73—C74—C75	121.6 (7)
C20—C19—C18	120.3 (5)	C73—C74—H74	119.2
C20—C19—H19	119.9	C75—C74—H74	119.2
C18—C19—H19	119.9	C74—C75—C76	117.3 (7)
C19—C20—C15	120.9 (5)	C74—C75—H75	121.4
C19—C20—H20	119.6	C76—C75—H75	121.4
C15—C20—H20	119.6	C75—C76—C71	122.6 (6)
C22—C21—H21A	109.5	C75—C76—N21	132.0 (6)
C22—C21—H21B	109.5	C71—C76—N21	105.4 (5)
H21A—C21—H21B	109.5	O5—C77—H77A	109.5
C22—C21—H21C	109.5	O5—C77—H77B	109.5
H21A—C21—H21C	109.5	H77A—C77—H77B	109.5
H21B—C21—H21C	109.5	O5—C77—H77C	109.5
N6—C22—C23	108.3 (4)	H77A—C77—H77C	109.5
N6—C22—C21	122.7 (5)	H77B—C77—H77C	109.5
C23—C22—C21	129.0 (5)

N7—Co1—N1—C4	58.3 (5)	C18—C19—C20—C15	−1.2 (8)
N11—Co1—N1—C4	−38.7 (4)	C16—C15—C20—C19	2.1 (7)
N5—Co1—N1—C4	−139.7 (4)	C14—C15—C20—C19	−174.7 (5)
N3—Co1—N1—C4	136.1 (4)	N5—N6—C22—C23	0.3 (5)
N7—Co1—N1—N2	−129.5 (3)	B1—N6—C22—C23	−179.7 (5)
N11—Co1—N1—N2	133.5 (3)	N5—N6—C22—C21	−179.1 (5)
N5—Co1—N1—N2	32.6 (3)	B1—N6—C22—C21	0.8 (8)
N3—Co1—N1—N2	−51.7 (3)	N6—C22—C23—C24	0.0 (6)
C4—N1—N2—C2	0.0 (5)	C21—C22—C23—C24	179.5 (5)
Co1—N1—N2—C2	−174.4 (3)	N6—N5—C24—C23	0.6 (5)
C4—N1—N2—B1	178.1 (4)	Co1—N5—C24—C23	−152.0 (3)
Co1—N1—N2—B1	3.7 (5)	N6—N5—C24—C25	−179.7 (4)
N7—Co1—N3—C14	−0.2 (5)	Co1—N5—C24—C25	27.7 (7)
N5—Co1—N3—C14	121.3 (5)	C22—C23—C24—N5	−0.4 (6)
N1—Co1—N3—C14	−142.8 (5)	C22—C23—C24—C25	179.9 (5)
N7—Co1—N3—N4	−156.2 (3)	N5—C24—C25—C26	−147.2 (6)
N5—Co1—N3—N4	−34.7 (3)	C23—C24—C25—C26	32.4 (8)
N1—Co1—N3—N4	61.2 (3)	N5—C24—C25—C30	31.3 (7)
C14—N3—N4—C12	−1.5 (5)	C23—C24—C25—C30	−149.1 (5)
Co1—N3—N4—C12	162.0 (3)	C30—C25—C26—C27	−2.6 (10)
C14—N3—N4—B1	177.1 (4)	C24—C25—C26—C27	176.0 (7)
Co1—N3—N4—B1	−19.5 (5)	C25—C26—C27—C28	−0.4 (14)
N7—Co1—N5—C24	−65.2 (4)	C26—C27—C28—C29	2.5 (15)
N11—Co1—N5—C24	27.9 (4)	C27—C28—C29—C30	−1.5 (13)
N1—Co1—N5—C24	127.8 (4)	C26—C25—C30—C29	3.6 (8)
N3—Co1—N5—C24	−152.5 (4)	C24—C25—C30—C29	−174.9 (5)
N7—Co1—N5—N6	144.3 (3)	C28—C29—C30—C25	−1.6 (9)
N11—Co1—N5—N6	−122.6 (3)	Co1—N7—C31—N9	8.7 (7)
N1—Co1—N5—N6	−22.7 (3)	Co1—N7—C31—N8	−171.2 (3)
N3—Co1—N5—N6	57.0 (3)	C32—N9—C31—N7	−6.4 (7)
C24—N5—N6—C22	−0.6 (5)	C32—N9—C31—N8	173.5 (4)
Co1—N5—N6—C22	156.9 (3)	C34—N11—C32—N9	−179.4 (4)
C24—N5—N6—B1	179.4 (4)	Co1—N11—C32—N9	8.7 (6)
Co1—N5—N6—B1	−23.1 (5)	C34—N11—C32—N10	−0.4 (5)
N11—Co1—N7—C31	−2.7 (4)	Co1—N11—C32—N10	−172.4 (3)
N5—Co1—N7—C31	97.5 (4)	C31—N9—C32—N11	−2.9 (7)
N1—Co1—N7—C31	−103.6 (4)	C31—N9—C32—N10	178.2 (4)
N3—Co1—N7—C31	−178.0 (4)	C33—N10—C32—N11	1.4 (6)
N7—Co1—N11—C32	−5.0 (3)	C33—N10—C32—N9	−179.5 (4)
N5—Co1—N11—C32	−126.4 (3)	C32—N10—C33—C38	178.0 (6)
N1—Co1—N11—C32	136.8 (3)	C32—N10—C33—C34	−1.7 (5)
N7—Co1—N11—C34	−174.9 (4)	C32—N11—C34—C35	179.9 (5)
N5—Co1—N11—C34	63.7 (4)	Co1—N11—C34—C35	−8.9 (7)
N1—Co1—N11—C34	−33.0 (4)	C32—N11—C34—C33	−0.7 (5)
N18—Co2—N12—C42	−51.9 (5)	Co1—N11—C34—C33	170.6 (3)
N22—Co2—N12—C42	41.3 (5)	N10—C33—C34—C35	−179.0 (4)
N14—Co2—N12—C42	139.7 (4)	C38—C33—C34—C35	1.2 (8)
N16—Co2—N12—C42	−137.4 (5)	N10—C33—C34—N11	1.4 (5)
N18—Co2—N12—N13	139.4 (3)	C38—C33—C34—N11	−178.3 (5)
N22—Co2—N12—N13	−127.4 (3)	N11—C34—C35—C36	176.7 (5)
N14—Co2—N12—N13	−29.0 (3)	C33—C34—C35—C36	−2.7 (7)
N16—Co2—N12—N13	53.9 (3)	C34—C35—C36—C37	2.3 (9)
C42—N12—N13—C40	0.4 (5)	C35—C36—C37—C38	−0.3 (11)
Co2—N12—N13—C40	171.9 (3)	N10—C33—C38—C37	−178.9 (6)
C42—N12—N13—B2	179.6 (4)	C34—C33—C38—C37	0.8 (9)
Co2—N12—N13—B2	−8.9 (5)	C36—C37—C38—C33	−1.2 (11)
N18—Co2—N14—C52	59.2 (5)	N12—N13—C40—C41	−1.4 (5)
N22—Co2—N14—C52	−34.1 (5)	B2—N13—C40—C41	179.6 (5)
N12—Co2—N14—C52	−130.8 (4)	N12—N13—C40—C39	179.0 (5)
N16—Co2—N14—C52	148.2 (4)	B2—N13—C40—C39	0.0 (8)
N18—Co2—N14—N15	−147.6 (3)	N13—C40—C41—C42	1.8 (6)
N22—Co2—N14—N15	119.1 (3)	C39—C40—C41—C42	−178.7 (5)
N12—Co2—N14—N15	22.4 (3)	N13—N12—C42—C41	0.7 (5)
N16—Co2—N14—N15	−58.6 (3)	Co2—N12—C42—C41	−168.9 (3)
C52—N14—N15—C50	0.7 (5)	N13—N12—C42—C43	179.9 (4)
Co2—N14—N15—C50	−159.1 (3)	Co2—N12—C42—C43	10.3 (7)
C52—N14—N15—B2	−178.9 (4)	C40—C41—C42—N12	−1.6 (6)
Co2—N14—N15—B2	21.3 (5)	C40—C41—C42—C43	179.3 (5)
N18—Co2—N16—C62	−9.7 (5)	N12—C42—C43—C44	46.9 (7)
N12—Co2—N16—C62	126.7 (5)	C41—C42—C43—C44	−134.1 (6)
N14—Co2—N16—C62	−136.4 (5)	N12—C42—C43—C48	−130.9 (5)
N18—Co2—N16—N17	170.7 (3)	C41—C42—C43—C48	48.1 (8)
N12—Co2—N16—N17	−52.9 (3)	C48—C43—C44—C45	−1.6 (9)
N14—Co2—N16—N17	43.9 (3)	C42—C43—C44—C45	−179.5 (6)
C62—N16—N17—C60	0.6 (5)	C43—C44—C45—C46	−0.7 (12)
Co2—N16—N17—C60	−179.6 (3)	C44—C45—C46—C47	3.9 (15)
C62—N16—N17—B2	−172.8 (4)	C45—C46—C47—C48	−4.4 (15)
Co2—N16—N17—B2	7.0 (5)	C46—C47—C48—C43	1.8 (12)
N22—Co2—N18—C69	5.1 (5)	C44—C43—C48—C47	1.1 (9)
N12—Co2—N18—C69	101.5 (5)	C42—C43—C48—C47	179.0 (6)
N14—Co2—N18—C69	−93.0 (5)	N14—N15—C50—C51	−0.7 (6)
N16—Co2—N18—C69	−177.5 (5)	B2—N15—C50—C51	178.9 (5)
N18—Co2—N22—C70	5.9 (4)	N14—N15—C50—C49	177.8 (5)
N12—Co2—N22—C70	−130.4 (4)	B2—N15—C50—C49	−2.6 (9)
N14—Co2—N22—C70	132.8 (4)	N15—C50—C51—C52	0.4 (7)
N18—Co2—N22—C71	173.6 (4)	C49—C50—C51—C52	−178.0 (6)
N12—Co2—N22—C71	37.2 (4)	N15—N14—C52—C51	−0.5 (5)
N14—Co2—N22—C71	−59.5 (4)	Co2—N14—C52—C51	154.6 (4)
C22—N6—B1—N2	−108.5 (5)	N15—N14—C52—C53	178.6 (4)
N5—N6—B1—N2	71.5 (5)	Co2—N14—C52—C53	−26.4 (7)
C22—N6—B1—N4	131.3 (5)	C50—C51—C52—N14	0.0 (6)
N5—N6—B1—N4	−48.7 (5)	C50—C51—C52—C53	−178.9 (5)
C2—N2—B1—N6	118.7 (5)	N14—C52—C53—C54	−34.0 (8)
N1—N2—B1—N6	−59.0 (5)	C51—C52—C53—C54	144.9 (6)
C2—N2—B1—N4	−121.1 (5)	N14—C52—C53—C58	148.5 (5)
N1—N2—B1—N4	61.2 (5)	C51—C52—C53—C58	−32.6 (9)
C12—N4—B1—N6	−108.3 (5)	C58—C53—C54—C55	−3.7 (10)
N3—N4—B1—N6	73.5 (5)	C52—C53—C54—C55	178.9 (6)
C12—N4—B1—N2	131.1 (5)	C53—C54—C55—C56	4.3 (15)
N3—N4—B1—N2	−47.1 (5)	C54—C55—C56—C57	−3 (2)
C40—N13—B2—N17	121.0 (5)	C55—C56—C57—C58	0 (2)
N12—N13—B2—N17	−58.0 (5)	C54—C53—C58—C57	1.3 (10)
C40—N13—B2—N15	−119.1 (5)	C52—C53—C58—C57	178.8 (6)
N12—N13—B2—N15	61.9 (5)	C56—C57—C58—C53	0.5 (15)
C60—N17—B2—N13	−115.7 (5)	N16—N17—C60—C61	−0.3 (5)
N16—N17—B2—N13	56.3 (5)	B2—N17—C60—C61	172.2 (5)
C60—N17—B2—N15	124.3 (5)	N16—N17—C60—C59	176.8 (4)
N16—N17—B2—N15	−63.8 (5)	B2—N17—C60—C59	−10.7 (7)
C50—N15—B2—N13	110.1 (6)	N17—C60—C61—C62	−0.1 (5)
N14—N15—B2—N13	−70.3 (5)	C59—C60—C61—C62	−177.0 (5)
C50—N15—B2—N17	−131.0 (5)	N17—N16—C62—C61	−0.7 (5)
N14—N15—B2—N17	48.6 (6)	Co2—N16—C62—C61	179.7 (4)
N1—N2—C2—C3	0.0 (5)	N17—N16—C62—C63	179.2 (4)
B1—N2—C2—C3	−177.8 (5)	Co2—N16—C62—C63	−0.4 (8)
N1—N2—C2—C1	179.0 (4)	C60—C61—C62—N16	0.5 (5)
B1—N2—C2—C1	1.1 (8)	C60—C61—C62—C63	−179.4 (4)
N2—C2—C3—C4	−0.1 (5)	N16—C62—C63—C64	97.5 (6)
C1—C2—C3—C4	−179.0 (5)	C61—C62—C63—C64	−82.7 (7)
N2—N1—C4—C3	0.0 (5)	N16—C62—C63—C68	−78.6 (7)
Co1—N1—C4—C3	172.7 (3)	C61—C62—C63—C68	101.3 (6)
N2—N1—C4—C5	179.8 (4)	C68—C63—C64—C65	−0.4 (8)
Co1—N1—C4—C5	−7.4 (7)	C62—C63—C64—C65	−176.6 (5)
C2—C3—C4—N1	0.1 (5)	C63—C64—C65—C66	−0.3 (10)
C2—C3—C4—C5	−179.8 (4)	C64—C65—C66—C67	1.5 (11)
N1—C4—C5—C10	−34.8 (7)	C65—C66—C67—C68	−1.8 (12)
C3—C4—C5—C10	145.0 (5)	C66—C67—C68—C63	1.1 (11)
N1—C4—C5—C6	145.2 (5)	C64—C63—C68—C67	0.0 (9)
C3—C4—C5—C6	−34.9 (7)	C62—C63—C68—C67	176.2 (6)
C10—C5—C6—C7	1.1 (8)	Co2—N18—C69—N19	170.9 (4)
C4—C5—C6—C7	−179.0 (5)	Co2—N18—C69—N20	−11.8 (8)
C5—C6—C7—C8	−1.0 (10)	C70—N20—C69—N18	7.4 (8)
C6—C7—C8—C9	0.3 (10)	C70—N20—C69—N19	−175.2 (5)
C7—C8—C9—C10	0.2 (10)	C71—N22—C70—N21	−0.9 (5)
C6—C5—C10—C9	−0.5 (8)	Co2—N22—C70—N21	169.5 (3)
C4—C5—C10—C9	179.5 (5)	C71—N22—C70—N20	178.3 (5)
C8—C9—C10—C5	−0.1 (9)	Co2—N22—C70—N20	−11.3 (7)
N3—N4—C12—C13	0.7 (5)	C76—N21—C70—N22	0.9 (6)
B1—N4—C12—C13	−177.7 (5)	C76—N21—C70—N20	−178.4 (5)
N3—N4—C12—C11	−179.1 (5)	C69—N20—C70—N22	4.9 (8)
B1—N4—C12—C11	2.5 (8)	C69—N20—C70—N21	−176.0 (5)
N4—C12—C13—C14	0.4 (6)	C70—N22—C71—C76	0.6 (5)
C11—C12—C13—C14	−179.8 (5)	Co2—N22—C71—C76	−168.9 (3)
N4—N3—C14—C13	1.8 (5)	C70—N22—C71—C72	179.9 (5)
Co1—N3—C14—C13	−155.1 (4)	Co2—N22—C71—C72	10.5 (7)
N4—N3—C14—C15	−177.4 (4)	C76—C71—C72—C73	0.9 (8)
Co1—N3—C14—C15	25.8 (7)	N22—C71—C72—C73	−178.4 (5)
C12—C13—C14—N3	−1.4 (6)	C71—C72—C73—C74	−0.9 (9)
C12—C13—C14—C15	177.7 (5)	C72—C73—C74—C75	0.3 (12)
N3—C14—C15—C16	−124.3 (5)	C73—C74—C75—C76	0.4 (12)
C13—C14—C15—C16	56.7 (7)	C74—C75—C76—C71	−0.4 (11)
N3—C14—C15—C20	52.3 (6)	C74—C75—C76—N21	178.6 (7)
C13—C14—C15—C20	−126.6 (6)	C72—C71—C76—C75	−0.2 (9)
C20—C15—C16—C17	−2.1 (7)	N22—C71—C76—C75	179.2 (6)
C14—C15—C16—C17	174.7 (5)	C72—C71—C76—N21	−179.5 (5)
C15—C16—C17—C18	1.2 (8)	N22—C71—C76—N21	−0.1 (6)
C16—C17—C18—C19	−0.3 (9)	C70—N21—C76—C75	−179.6 (7)
C17—C18—C19—C20	0.2 (9)	C70—N21—C76—C71	−0.5 (6)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N19—H84A···O3ⁱ	0.89	2.15	3.007 (11)	161
N20—H85···O2ⁱ	0.88 (5)	1.98 (5)	2.832 (9)	162 (5)
N21—H86···O6ⁱ	0.88	2.31	3.086 (12)	146
O5—H5···N9ⁱⁱ	0.84	1.91	2.734 (5)	167

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

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Cocrystal of (2-guanidinobenzimidazole-κ2N,N′)[hydridotris(3,5-methyl­phenyl­pyrazol­yl)borato-κ3N,N′,N′′]cobalt(II) perchlorate and (2-guanidino­benzimidazolato-κ2N,N′)[hydridotris(3,5-methyl­phenyl­pyrazol­yl)borato-κ3N,N′,N′′]cobalt(II) methanol solvate monohydrate

Supporting information

Key indicators

checkCIF/PLATON results

Cocrystal of (2-guanidinobenzimidazole-κ²N,N′)[hydridotris(3,5-methylphenylpyrazolyl)borato-κ³N,N′,N′′]cobalt(II) perchlorate and (2-guanidinobenzimidazolato-κ²N,N′)[hydridotris(3,5-methylphenylpyrazolyl)borato-κ³N,N′,N′′]cobalt(II) methanol solvate monohydrate