In the crystal structure of the title compound, [Co(C3H6NO2S)(C2H8N2)2](ClO4)2·1.5H2O, each CoIII atom is situated in a slightly distorted octahedral geometry, coordinated by one L-cysteinate and two ethylenediamine ligands. The compound has a non-coordinated COOH group, which adopts an equatorial orientation. The asymmetric unit contains two cations, four anions, and three water molecules.
Supporting information
CCDC reference: 618244
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.014 Å
- Disorder in main residue
- R factor = 0.052
- wR factor = 0.154
- Data-to-parameter ratio = 10.3
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D H1 .. H54 .. 2.08 Ang.
PLAT417_ALERT_2_B Short Inter D-H..H-D H54 .. H55 .. 2.08 Ang.
PLAT420_ALERT_2_B D-H Without Acceptor O27 - H57 ... ?
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
PLAT216_ALERT_3_C Disordered O19 (An/Solv) ADP max/min Ratio 6.80
PLAT221_ALERT_4_C Large Solvent/Anion O Ueq(max)/Ueq(min) ... 3.29 Ratio
PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O17
PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O21
PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O22
PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O23
PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O24
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl4
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for O18
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for O19
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for O20
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl1
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl2
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl3
PLAT301_ALERT_3_C Main Residue Disorder ......................... 6.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 15.00 Perc.
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O19
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O20
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O21
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O23
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14
PLAT417_ALERT_2_C Short Inter D-H..H-D H2 .. H57 .. 2.11 Ang.
PLAT417_ALERT_2_C Short Inter D-H..H-D H1 .. H53 .. 2.10 Ang.
PLAT420_ALERT_2_C D-H Without Acceptor N10 - >H24 ... ?
PLAT432_ALERT_2_C Short Inter X...Y Contact O8 .. C16 .. 3.01 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact O20 .. C10 .. 2.93 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact O21 .. C10 .. 2.95 Ang.
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 9
H2 O
Alert level G
REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may
be needed to determine absolute structure
From the CIF: _diffrn_reflns_theta_max 30.02
From the CIF: _reflns_number_total 5943
Count of symmetry unique reflns 5957
Completeness (_total/calc) 99.76%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 0
Fraction of Friedel pairs measured 0.000
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
3 ALERT level B = Potentially serious problem
31 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
13 ALERT type 2 Indicator that the structure model may be wrong or deficient
3 ALERT type 3 Indicator that the structure quality may be low
16 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1992); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: CrystalStructure (Rigaku/MSC, 2004); 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).
ΛL-(
L-Cysteinato-
κ2N,
S)bis(ethylenediamine-
κ2N,
N')cobalt(III) bis(perchlorate) sesquihydrate
top
Crystal data top
[Co(C3H6NO2S)(C2H8N2)2](ClO4)2·1.5H2O | F(000) = 1084 |
Mr = 525.22 | Dx = 1.765 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: P 2yb | Cell parameters from 25 reflections |
a = 8.297 (5) Å | θ = 14.4–14.9° |
b = 17.069 (3) Å | µ = 1.31 mm−1 |
c = 13.957 (3) Å | T = 296 K |
β = 90.82 (3)° | Plate, brown |
V = 1976.5 (13) Å3 | 0.40 × 0.20 × 0.05 mm |
Z = 4 | |
Data collection top
Rigaku AFC-5R diffractometer | 3031 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.039 |
Graphite monochromator | θmax = 30.0°, θmin = 2.7° |
ω–2θ scans | h = −11→0 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→24 |
Tmin = 0.623, Tmax = 0.938 | l = −19→19 |
6307 measured reflections | 3 standard reflections every 150 reflections |
5943 independent reflections | intensity decay: 5.0% |
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)] = 0.052 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.154 | w = 1/[σ2(Fo2) + (0.065P)2 + 0.3906P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.001 |
5943 reflections | Δρmax = 0.53 e Å−3 |
577 parameters | Δρmin = −0.81 e Å−3 |
86 restraints | Absolute structure: Flack (1983), no Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.02 (3) |
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 | Uiso*/Ueq | Occ. (<1) |
Co1 | 0.56736 (13) | 0.25749 (7) | 0.54569 (7) | 0.0297 (3) | |
Co2 | 0.85834 (13) | 0.53046 (6) | 0.95647 (7) | 0.0289 (2) | |
S1 | 0.7905 (3) | 0.18590 (14) | 0.57066 (16) | 0.0387 (5) | |
S2 | 1.0725 (3) | 0.60088 (14) | 0.91164 (17) | 0.0390 (5) | |
O1 | 0.7655 (10) | 0.2180 (4) | 0.9027 (4) | 0.0520 (19) | |
H1 | 0.801 (13) | 0.249 (8) | 0.950 (5) | 0.078* | |
O2 | 0.6962 (8) | 0.3387 (4) | 0.8565 (4) | 0.0416 (15) | |
O3 | 1.0059 (9) | 0.5339 (5) | 0.5918 (5) | 0.0554 (18) | |
H2 | 1.069 (15) | 0.511 (9) | 0.557 (8) | 0.083* | |
O4 | 0.9442 (10) | 0.4171 (4) | 0.6517 (5) | 0.058 (2) | |
N1 | 0.5795 (9) | 0.2868 (4) | 0.6825 (5) | 0.0352 (16) | |
H3 | 0.6194 | 0.3357 | 0.6872 | 0.042* | |
H4 | 0.4790 | 0.2875 | 0.7058 | 0.042* | |
N2 | 0.4301 (10) | 0.1678 (5) | 0.5734 (6) | 0.0443 (19) | |
H5 | 0.4663 | 0.1255 | 0.5418 | 0.053* | |
H6 | 0.4348 | 0.1573 | 0.6365 | 0.053* | |
N3 | 0.3554 (9) | 0.3172 (5) | 0.5274 (6) | 0.048 (2) | |
H7 | 0.3601 | 0.3631 | 0.5591 | 0.057* | |
H8 | 0.3382 | 0.3274 | 0.4648 | 0.057* | |
N4 | 0.5759 (10) | 0.2300 (5) | 0.4086 (5) | 0.0426 (19) | |
H9 | 0.6415 | 0.1886 | 0.4006 | 0.051* | |
H10 | 0.4767 | 0.2167 | 0.3872 | 0.051* | |
N5 | 0.6961 (9) | 0.3503 (5) | 0.5087 (6) | 0.0436 (19) | |
H11 | 0.6336 | 0.3934 | 0.5090 | 0.052* | |
H12 | 0.7777 | 0.3574 | 0.5509 | 0.052* | |
N6 | 0.8584 (10) | 0.4832 (5) | 0.8270 (5) | 0.0396 (18) | |
H13 | 0.9059 | 0.4359 | 0.8305 | 0.047* | |
H14 | 0.7558 | 0.4759 | 0.8073 | 0.047* | |
N7 | 0.7048 (9) | 0.6127 (4) | 0.9150 (5) | 0.0392 (18) | |
H15 | 0.7426 | 0.6600 | 0.9327 | 0.047* | |
H16 | 0.6945 | 0.6122 | 0.8507 | 0.047* | |
N8 | 0.6588 (9) | 0.4699 (4) | 0.9916 (5) | 0.0361 (16) | |
H17 | 0.6618 | 0.4220 | 0.9647 | 0.043* | |
H18 | 0.6555 | 0.4638 | 1.0556 | 0.043* | |
N9 | 0.8781 (10) | 0.5768 (5) | 1.0862 (5) | 0.0417 (19) | |
H19 | 0.8936 | 0.6288 | 1.0810 | 0.050* | 0.66 (4) |
H20 | 0.7858 | 0.5690 | 1.1179 | 0.050* | 0.66 (4) |
H21 | 0.9415 | 0.6196 | 1.0851 | 0.050* | 0.34 (4) |
H22 | 0.7806 | 0.5907 | 1.1079 | 0.050* | 0.34 (4) |
N10 | 0.9988 (12) | 0.4473 (5) | 1.0091 (7) | 0.053 (2) | |
H23 | 0.9587 | 0.3999 | 0.9934 | 0.063* | 0.66 (4) |
H24 | 1.0981 | 0.4514 | 0.9844 | 0.063* | 0.66 (4) |
H25 | 0.9389 | 0.4050 | 1.0230 | 0.063* | 0.34 (4) |
H26 | 1.0711 | 0.4332 | 0.9648 | 0.063* | 0.34 (4) |
C1 | 0.8376 (12) | 0.2191 (6) | 0.6901 (7) | 0.045 (2) | |
H27 | 0.9006 | 0.1797 | 0.7239 | 0.054* | |
H28 | 0.9006 | 0.2669 | 0.6875 | 0.054* | |
C2 | 0.6798 (11) | 0.2341 (5) | 0.7428 (5) | 0.034 (2) | |
H29 | 0.6230 | 0.1843 | 0.7506 | 0.040* | |
C3 | 0.7122 (10) | 0.2689 (6) | 0.8399 (6) | 0.0342 (18) | |
C4 | 0.2563 (13) | 0.1840 (7) | 0.5434 (9) | 0.060 (3) | |
H30 | 0.2411 | 0.1739 | 0.4755 | 0.072* | |
H31 | 0.1838 | 0.1505 | 0.5787 | 0.072* | |
C5 | 0.2223 (12) | 0.2684 (9) | 0.5649 (8) | 0.065 (3) | |
H32 | 0.1210 | 0.2839 | 0.5350 | 0.078* | |
H33 | 0.2138 | 0.2758 | 0.6335 | 0.078* | |
C6 | 0.6364 (15) | 0.2977 (7) | 0.3530 (7) | 0.059 (3) | |
H34 | 0.6823 | 0.2798 | 0.2934 | 0.071* | |
H35 | 0.5487 | 0.3334 | 0.3381 | 0.071* | |
C7 | 0.7606 (15) | 0.3378 (8) | 0.4119 (7) | 0.060 (3) | |
H36 | 0.8574 | 0.3060 | 0.4158 | 0.072* | |
H37 | 0.7880 | 0.3877 | 0.3832 | 0.072* | |
C8 | 1.1027 (11) | 0.5556 (5) | 0.7956 (6) | 0.038 (2) | |
H38 | 1.1560 | 0.5922 | 0.7534 | 0.046* | |
H39 | 1.1711 | 0.5098 | 0.8030 | 0.046* | |
C9 | 0.9447 (9) | 0.5323 (6) | 0.7531 (6) | 0.0357 (18) | |
H40 | 0.8811 | 0.5795 | 0.7399 | 0.043* | |
C10 | 0.9628 (10) | 0.4865 (5) | 0.6608 (6) | 0.037 (2) | |
C11 | 0.5459 (13) | 0.5992 (7) | 0.9585 (8) | 0.054 (3) | |
H41 | 0.4628 | 0.6268 | 0.9224 | 0.065* | |
H42 | 0.5463 | 0.6186 | 1.0238 | 0.065* | |
C12 | 0.5122 (11) | 0.5123 (6) | 0.9575 (8) | 0.048 (2) | |
H43 | 0.4225 | 0.5007 | 0.9990 | 0.058* | |
H44 | 0.4838 | 0.4956 | 0.8930 | 0.058* | |
C13 | 1.007 (3) | 0.5436 (12) | 1.1387 (12) | 0.044 (5) | 0.66 (4) |
H45 | 0.9940 | 0.5537 | 1.2065 | 0.053* | 0.66 (4) |
H46 | 1.1081 | 0.5666 | 1.1188 | 0.053* | 0.66 (4) |
C14 | 1.008 (4) | 0.4561 (11) | 1.1200 (17) | 0.062 (6) | 0.66 (4) |
H47 | 0.9161 | 0.4312 | 1.1496 | 0.075* | 0.66 (4) |
H48 | 1.1060 | 0.4325 | 1.1455 | 0.075* | 0.66 (4) |
C15 | 0.955 (4) | 0.512 (3) | 1.151 (2) | 0.040 (7) | 0.34 (4) |
H49 | 1.0000 | 0.5357 | 1.2092 | 0.048* | 0.34 (4) |
H50 | 0.8735 | 0.4745 | 1.1697 | 0.048* | 0.34 (4) |
C16 | 1.083 (6) | 0.474 (3) | 1.095 (3) | 0.049 (8) | 0.34 (4) |
H51 | 1.1679 | 0.5105 | 1.0794 | 0.059* | 0.34 (4) |
H52 | 1.1298 | 0.4300 | 1.1299 | 0.059* | 0.34 (4) |
Cl1 | 0.4826 (4) | 0.00636 (15) | 0.74398 (19) | 0.0561 (7) | |
O5 | 0.4882 (16) | −0.0111 (7) | 0.6447 (7) | 0.110 (4) | |
O6 | 0.3992 (14) | 0.0773 (6) | 0.7636 (7) | 0.093 (3) | |
O7 | 0.412 (2) | −0.0542 (5) | 0.7942 (7) | 0.143 (6) | |
O8 | 0.6481 (18) | 0.0216 (13) | 0.7701 (13) | 0.194 (8) | |
Cl2 | 0.2267 (3) | 0.29540 (14) | 0.87863 (17) | 0.0435 (5) | |
O9 | 0.3003 (15) | 0.2480 (8) | 0.8118 (9) | 0.131 (5) | |
O10 | 0.1562 (19) | 0.2528 (7) | 0.9496 (8) | 0.133 (5) | |
O11 | 0.0985 (19) | 0.3342 (8) | 0.8365 (11) | 0.162 (7) | |
O12 | 0.3217 (15) | 0.3568 (9) | 0.9177 (10) | 0.148 (6) | |
Cl3 | 0.1557 (3) | 0.27201 (16) | 0.26955 (17) | 0.0502 (6) | |
O13 | 0.0072 (15) | 0.2415 (9) | 0.2833 (10) | 0.149 (6) | |
O14 | 0.2693 (13) | 0.2081 (6) | 0.2891 (7) | 0.097 (3) | |
O15 | 0.1882 (14) | 0.3346 (6) | 0.3316 (8) | 0.101 (4) | |
O16 | 0.1704 (16) | 0.2900 (6) | 0.1718 (7) | 0.105 (4) | |
Cl4 | 0.4869 (3) | 0.51648 (15) | 0.64838 (17) | 0.0485 (6) | |
O17 | 0.518 (2) | 0.5596 (10) | 0.7330 (10) | 0.094 (10) | 0.50 |
O18 | 0.3699 (18) | 0.5569 (9) | 0.5941 (12) | 0.079 (6) | 0.50 |
O19 | 0.427 (3) | 0.4432 (6) | 0.6726 (12) | 0.114 (12) | 0.50 |
O20 | 0.6285 (12) | 0.5106 (14) | 0.5961 (12) | 0.127 (13) | 0.50 |
O21 | 0.612 (2) | 0.4662 (11) | 0.6817 (16) | 0.121 (10) | 0.50 |
O22 | 0.3436 (18) | 0.4726 (14) | 0.647 (2) | 0.24 (3) | 0.50 |
O23 | 0.524 (4) | 0.5412 (14) | 0.5568 (9) | 0.26 (3) | 0.50 |
O24 | 0.472 (3) | 0.5794 (9) | 0.7113 (12) | 0.091 (10) | 0.50 |
O25 | 0.8265 (9) | 0.2950 (4) | 1.0623 (5) | 0.0493 (18) | |
H53 | 0.885 (10) | 0.261 (5) | 1.092 (5) | 0.074* | |
H54 | 0.731 (5) | 0.291 (6) | 1.083 (6) | 0.074* | |
O26 | 0.5079 (12) | 0.2964 (9) | 1.0975 (9) | 0.104 (4) | |
H56 | 0.417 (9) | 0.307 (13) | 1.121 (7) | 0.156* | |
O27 | 1.1039 (12) | 0.4875 (8) | 0.4192 (6) | 0.096 (4) | |
H57 | 1.205 (6) | 0.484 (12) | 0.435 (8) | 0.144* | |
H58 | 1.095 (15) | 0.468 (11) | 0.363 (6) | 0.144* | |
H55 | 0.491 (8) | 0.294 (9) | 1.037 (2) | 0.09 (6)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.0333 (6) | 0.0304 (6) | 0.0253 (5) | −0.0001 (5) | −0.0033 (4) | −0.0017 (5) |
Co2 | 0.0335 (6) | 0.0244 (5) | 0.0288 (5) | −0.0022 (5) | 0.0015 (4) | −0.0013 (5) |
S1 | 0.0439 (13) | 0.0403 (12) | 0.0317 (11) | 0.0109 (10) | −0.0022 (9) | −0.0067 (9) |
S2 | 0.0389 (12) | 0.0377 (12) | 0.0403 (12) | −0.0125 (10) | 0.0002 (10) | −0.0078 (10) |
O1 | 0.090 (6) | 0.038 (4) | 0.028 (3) | 0.006 (4) | −0.012 (3) | 0.004 (3) |
O2 | 0.062 (4) | 0.031 (3) | 0.031 (3) | −0.003 (3) | −0.001 (3) | −0.001 (3) |
O3 | 0.078 (5) | 0.051 (4) | 0.038 (4) | −0.004 (4) | 0.020 (3) | 0.006 (4) |
O4 | 0.098 (6) | 0.037 (4) | 0.040 (4) | −0.007 (4) | −0.009 (4) | −0.011 (3) |
N1 | 0.039 (4) | 0.041 (4) | 0.026 (3) | 0.007 (3) | 0.003 (3) | 0.000 (3) |
N2 | 0.048 (5) | 0.040 (4) | 0.044 (4) | −0.007 (4) | −0.010 (4) | 0.007 (4) |
N3 | 0.037 (5) | 0.049 (5) | 0.057 (5) | 0.006 (4) | −0.007 (4) | 0.000 (4) |
N4 | 0.055 (5) | 0.045 (5) | 0.027 (4) | 0.008 (4) | −0.007 (3) | 0.001 (3) |
N5 | 0.039 (4) | 0.046 (5) | 0.047 (5) | −0.003 (4) | 0.002 (4) | −0.004 (4) |
N6 | 0.058 (5) | 0.034 (4) | 0.027 (4) | −0.014 (4) | 0.003 (3) | −0.005 (3) |
N7 | 0.043 (4) | 0.029 (4) | 0.045 (4) | 0.001 (3) | −0.002 (3) | 0.002 (3) |
N8 | 0.040 (4) | 0.031 (4) | 0.038 (4) | −0.006 (3) | 0.012 (3) | −0.010 (3) |
N9 | 0.050 (5) | 0.033 (4) | 0.042 (4) | −0.005 (4) | 0.001 (4) | −0.011 (3) |
N10 | 0.067 (5) | 0.033 (4) | 0.058 (5) | 0.002 (4) | 0.001 (4) | −0.002 (4) |
C1 | 0.048 (6) | 0.046 (6) | 0.040 (5) | 0.013 (5) | −0.003 (4) | 0.002 (4) |
C2 | 0.052 (5) | 0.032 (4) | 0.017 (3) | 0.000 (4) | −0.007 (3) | −0.003 (3) |
C3 | 0.035 (4) | 0.038 (5) | 0.029 (4) | −0.008 (4) | −0.002 (3) | 0.004 (4) |
C4 | 0.046 (6) | 0.067 (8) | 0.066 (7) | −0.025 (6) | −0.013 (5) | 0.000 (6) |
C5 | 0.030 (5) | 0.098 (10) | 0.066 (7) | 0.012 (7) | −0.005 (5) | 0.001 (8) |
C6 | 0.068 (7) | 0.073 (8) | 0.037 (5) | 0.002 (6) | 0.006 (5) | 0.012 (5) |
C7 | 0.074 (8) | 0.063 (7) | 0.044 (6) | −0.004 (6) | 0.002 (5) | 0.009 (5) |
C8 | 0.041 (5) | 0.035 (5) | 0.040 (5) | −0.002 (4) | 0.012 (4) | −0.012 (4) |
C9 | 0.033 (4) | 0.035 (4) | 0.039 (4) | −0.010 (4) | 0.006 (3) | −0.005 (4) |
C10 | 0.031 (5) | 0.037 (5) | 0.042 (5) | −0.003 (4) | 0.009 (4) | −0.009 (4) |
C11 | 0.043 (6) | 0.053 (7) | 0.067 (7) | 0.014 (5) | 0.002 (5) | −0.005 (6) |
C12 | 0.033 (5) | 0.045 (6) | 0.066 (6) | −0.010 (4) | 0.004 (4) | −0.005 (5) |
C13 | 0.056 (10) | 0.036 (8) | 0.041 (7) | −0.005 (7) | −0.018 (7) | −0.001 (6) |
C14 | 0.089 (16) | 0.031 (8) | 0.066 (12) | 0.002 (9) | −0.029 (11) | 0.019 (8) |
C15 | 0.037 (12) | 0.039 (14) | 0.045 (12) | −0.018 (11) | −0.007 (10) | 0.005 (11) |
C16 | 0.056 (18) | 0.053 (18) | 0.039 (15) | 0.020 (14) | −0.019 (12) | 0.016 (13) |
Cl1 | 0.082 (2) | 0.0403 (13) | 0.0460 (14) | 0.0001 (13) | 0.0102 (13) | 0.0040 (11) |
O5 | 0.189 (13) | 0.088 (8) | 0.054 (6) | −0.012 (8) | 0.034 (7) | 0.003 (5) |
O6 | 0.119 (8) | 0.065 (6) | 0.096 (7) | 0.007 (6) | 0.040 (6) | 0.020 (5) |
O7 | 0.304 (18) | 0.048 (5) | 0.080 (7) | −0.035 (8) | 0.094 (10) | 0.006 (5) |
O8 | 0.126 (12) | 0.195 (17) | 0.26 (2) | 0.021 (14) | −0.048 (12) | −0.035 (17) |
Cl2 | 0.0442 (13) | 0.0412 (13) | 0.0453 (13) | 0.0026 (10) | 0.0066 (10) | 0.0024 (10) |
O9 | 0.142 (10) | 0.118 (10) | 0.134 (10) | 0.028 (9) | 0.079 (8) | −0.033 (8) |
O10 | 0.232 (15) | 0.073 (7) | 0.097 (8) | −0.017 (9) | 0.060 (9) | 0.016 (7) |
O11 | 0.188 (14) | 0.110 (10) | 0.186 (14) | 0.068 (11) | −0.103 (11) | −0.006 (10) |
O12 | 0.102 (9) | 0.155 (13) | 0.187 (14) | −0.062 (9) | 0.006 (9) | −0.065 (11) |
Cl3 | 0.0531 (14) | 0.0565 (17) | 0.0406 (12) | 0.0060 (13) | −0.0100 (10) | −0.0053 (11) |
O13 | 0.099 (8) | 0.156 (13) | 0.192 (13) | −0.048 (9) | 0.063 (8) | −0.093 (11) |
O14 | 0.112 (8) | 0.079 (7) | 0.097 (7) | 0.016 (6) | −0.049 (6) | 0.003 (6) |
O15 | 0.118 (9) | 0.060 (6) | 0.123 (9) | −0.005 (6) | −0.030 (7) | −0.026 (6) |
O16 | 0.170 (11) | 0.084 (8) | 0.062 (6) | 0.018 (8) | 0.013 (6) | 0.012 (5) |
Cl4 | 0.0461 (13) | 0.0550 (16) | 0.0442 (13) | 0.0135 (12) | −0.0054 (10) | −0.0056 (11) |
O17 | 0.103 (17) | 0.09 (2) | 0.088 (17) | −0.021 (15) | −0.027 (14) | −0.032 (15) |
O18 | 0.087 (14) | 0.066 (12) | 0.082 (13) | 0.005 (10) | −0.049 (11) | 0.017 (10) |
O19 | 0.27 (4) | 0.007 (6) | 0.063 (12) | −0.008 (13) | −0.011 (17) | −0.007 (7) |
O20 | 0.030 (9) | 0.24 (4) | 0.11 (2) | 0.006 (15) | 0.010 (10) | −0.08 (2) |
O21 | 0.15 (2) | 0.088 (16) | 0.125 (19) | 0.021 (15) | −0.107 (18) | −0.013 (15) |
O22 | 0.051 (15) | 0.27 (5) | 0.39 (6) | −0.07 (2) | 0.03 (2) | −0.21 (5) |
O23 | 0.53 (8) | 0.19 (4) | 0.050 (15) | 0.04 (6) | 0.09 (3) | 0.05 (2) |
O24 | 0.18 (3) | 0.035 (9) | 0.064 (12) | 0.018 (14) | 0.048 (15) | −0.005 (9) |
O25 | 0.064 (5) | 0.047 (4) | 0.037 (4) | 0.004 (4) | −0.018 (3) | 0.001 (3) |
O26 | 0.064 (6) | 0.141 (11) | 0.108 (9) | 0.011 (7) | 0.015 (6) | 0.001 (9) |
O27 | 0.111 (8) | 0.120 (9) | 0.058 (6) | −0.034 (7) | 0.037 (5) | −0.039 (6) |
Geometric parameters (Å, º) top
Co1—S1 | 2.241 (3) | C2—C3 | 1.500 (11) |
Co1—N1 | 1.974 (7) | C2—H29 | 0.9800 |
Co1—N2 | 1.950 (8) | C4—C5 | 1.498 (18) |
Co1—N3 | 2.046 (8) | C4—H30 | 0.9700 |
Co1—N4 | 1.973 (7) | C4—H31 | 0.9700 |
Co1—N5 | 1.983 (8) | C5—H32 | 0.9700 |
Co2—S2 | 2.241 (3) | C5—H33 | 0.9700 |
Co2—N6 | 1.979 (7) | C6—C7 | 1.477 (16) |
Co2—N7 | 1.977 (7) | C6—H34 | 0.9700 |
Co2—N8 | 2.019 (7) | C6—H35 | 0.9700 |
Co2—N9 | 1.980 (7) | C7—H36 | 0.9700 |
Co2—N10 | 1.972 (9) | C7—H37 | 0.9700 |
S1—C1 | 1.798 (10) | C8—C9 | 1.486 (12) |
S2—C8 | 1.815 (8) | C8—H38 | 0.9700 |
O1—C3 | 1.308 (10) | C8—H39 | 0.9700 |
O1—H1 | 0.89 (9) | C9—C10 | 1.516 (12) |
O2—C3 | 1.220 (11) | C9—H40 | 0.9800 |
O3—C10 | 1.312 (11) | C11—C12 | 1.509 (15) |
O3—H2 | 0.82 (11) | C11—H41 | 0.9700 |
O4—C10 | 1.201 (11) | C11—H42 | 0.9700 |
N1—C2 | 1.480 (10) | C12—H43 | 0.9700 |
N1—H3 | 0.9000 | C12—H44 | 0.9700 |
N1—H4 | 0.9000 | C13—C14 | 1.52 (3) |
N2—C4 | 1.521 (13) | C13—H45 | 0.9700 |
N2—H5 | 0.9000 | C13—H46 | 0.9700 |
N2—H6 | 0.9000 | C14—H47 | 0.9700 |
N3—C5 | 1.485 (15) | C14—H48 | 0.9700 |
N3—H7 | 0.9000 | C15—C16 | 1.49 (6) |
N3—H8 | 0.9000 | C15—H49 | 0.9700 |
N4—C6 | 1.484 (13) | C15—H50 | 0.9700 |
N4—H9 | 0.9000 | C16—H51 | 0.9700 |
N4—H10 | 0.9000 | C16—H52 | 0.9700 |
N5—C7 | 1.475 (12) | Cl1—O7 | 1.382 (9) |
N5—H11 | 0.9000 | Cl1—O5 | 1.419 (10) |
N5—H12 | 0.9000 | Cl1—O6 | 1.423 (10) |
N6—C9 | 1.516 (11) | Cl1—O8 | 1.440 (15) |
N6—H13 | 0.9000 | Cl2—O10 | 1.367 (10) |
N6—H14 | 0.9000 | Cl2—O11 | 1.377 (11) |
N7—C11 | 1.477 (13) | Cl2—O9 | 1.383 (10) |
N7—H15 | 0.9000 | Cl2—O12 | 1.416 (12) |
N7—H16 | 0.9000 | Cl3—O13 | 1.354 (11) |
N8—C12 | 1.488 (12) | Cl3—O15 | 1.399 (10) |
N8—H17 | 0.9000 | Cl3—O16 | 1.406 (9) |
N8—H18 | 0.9000 | Cl3—O14 | 1.465 (10) |
N9—C13 | 1.406 (17) | Cl4—O23 | 1.385 (8) |
N9—C15 | 1.56 (4) | Cl4—O19 | 1.391 (8) |
N9—H19 | 0.9000 | Cl4—O24 | 1.393 (8) |
N9—H20 | 0.9000 | Cl4—O20 | 1.396 (8) |
N9—H21 | 0.9000 | Cl4—O18 | 1.404 (7) |
N9—H22 | 0.9000 | Cl4—O22 | 1.405 (9) |
N10—C16 | 1.45 (4) | Cl4—O17 | 1.412 (8) |
N10—C14 | 1.56 (3) | Cl4—O21 | 1.418 (8) |
N10—H23 | 0.9000 | O25—H53 | 0.86 (8) |
N10—H24 | 0.9000 | O25—H54 | 0.85 (5) |
N10—H25 | 0.9000 | O26—H56 | 0.85 (11) |
N10—H26 | 0.9000 | O26—H55 | 0.86 (3) |
C1—C2 | 1.532 (13) | O27—H57 | 0.87 (6) |
C1—H27 | 0.9700 | O27—H58 | 0.85 (9) |
C1—H28 | 0.9700 | | |
| | | |
N2—Co1—N4 | 92.0 (4) | N1—C2—H29 | 108.9 |
N2—Co1—N1 | 91.7 (3) | C3—C2—H29 | 108.9 |
S1—Co1—N3 | 176.3 (3) | C1—C2—H29 | 108.9 |
N1—Co1—N4 | 174.9 (4) | O2—C3—O1 | 123.9 (8) |
N2—Co1—N5 | 175.5 (3) | O2—C3—C2 | 122.6 (8) |
N4—Co1—N5 | 84.9 (3) | O1—C3—C2 | 113.4 (8) |
N1—Co1—N5 | 91.7 (3) | C5—C4—N2 | 107.5 (8) |
N2—Co1—N3 | 85.0 (4) | C5—C4—H30 | 110.2 |
N4—Co1—N3 | 92.3 (3) | N2—C4—H30 | 110.2 |
N1—Co1—N3 | 91.5 (3) | C5—C4—H31 | 110.2 |
N5—Co1—N3 | 92.0 (3) | N2—C4—H31 | 110.2 |
N2—Co1—S1 | 91.4 (3) | H30—C4—H31 | 108.5 |
N4—Co1—S1 | 88.9 (2) | N3—C5—C4 | 109.0 (9) |
N1—Co1—S1 | 87.5 (2) | N3—C5—H32 | 109.9 |
N5—Co1—S1 | 91.7 (2) | C4—C5—H32 | 109.9 |
S2—Co2—N8 | 177.1 (2) | N3—C5—H33 | 109.9 |
N6—Co2—N9 | 175.2 (4) | C4—C5—H33 | 109.9 |
N7—Co2—N10 | 174.5 (4) | H32—C5—H33 | 108.3 |
N10—Co2—N6 | 92.2 (4) | C7—C6—N4 | 108.0 (8) |
N7—Co2—N6 | 91.7 (3) | C7—C6—H34 | 110.1 |
N10—Co2—N9 | 84.6 (4) | N4—C6—H34 | 110.1 |
N7—Co2—N9 | 91.7 (3) | C7—C6—H35 | 110.1 |
N10—Co2—N8 | 91.3 (4) | N4—C6—H35 | 110.1 |
N7—Co2—N8 | 84.7 (3) | H34—C6—H35 | 108.4 |
N6—Co2—N8 | 91.4 (3) | N5—C7—C6 | 108.5 (9) |
N9—Co2—N8 | 92.3 (3) | N5—C7—H36 | 110.0 |
N10—Co2—S2 | 91.3 (3) | C6—C7—H36 | 110.0 |
N7—Co2—S2 | 92.7 (2) | N5—C7—H37 | 110.0 |
N6—Co2—S2 | 87.3 (2) | C6—C7—H37 | 110.0 |
N9—Co2—S2 | 89.2 (2) | H36—C7—H37 | 108.4 |
C1—S1—Co1 | 98.1 (3) | C9—C8—S2 | 109.8 (6) |
C8—S2—Co2 | 98.1 (3) | C9—C8—H38 | 109.7 |
C3—O1—H1 | 102 (8) | S2—C8—H38 | 109.7 |
C10—O3—H2 | 109 (10) | C9—C8—H39 | 109.7 |
C2—N1—Co1 | 114.6 (5) | S2—C8—H39 | 109.7 |
C2—N1—H3 | 108.6 | H38—C8—H39 | 108.2 |
Co1—N1—H3 | 108.6 | C8—C9—C10 | 112.4 (7) |
C2—N1—H4 | 108.6 | C8—C9—N6 | 107.4 (7) |
Co1—N1—H4 | 108.6 | C10—C9—N6 | 110.3 (7) |
H3—N1—H4 | 107.6 | C8—C9—H40 | 108.9 |
C4—N2—Co1 | 110.9 (7) | C10—C9—H40 | 108.9 |
C4—N2—H5 | 109.5 | N6—C9—H40 | 108.9 |
Co1—N2—H5 | 109.5 | O4—C10—O3 | 124.5 (9) |
C4—N2—H6 | 109.5 | O4—C10—C9 | 125.8 (9) |
Co1—N2—H6 | 109.5 | O3—C10—C9 | 109.7 (8) |
H5—N2—H6 | 108.0 | N7—C11—C12 | 108.4 (8) |
C5—N3—Co1 | 108.6 (7) | N7—C11—H41 | 110.0 |
C5—N3—H7 | 110.0 | C12—C11—H41 | 110.0 |
Co1—N3—H7 | 110.0 | N7—C11—H42 | 110.0 |
C5—N3—H8 | 110.0 | C12—C11—H42 | 110.0 |
Co1—N3—H8 | 110.0 | H41—C11—H42 | 108.4 |
H7—N3—H8 | 108.4 | N8—C12—C11 | 109.0 (8) |
C6—N4—Co1 | 109.8 (6) | N8—C12—H43 | 109.9 |
C6—N4—H9 | 109.7 | C11—C12—H43 | 109.9 |
Co1—N4—H9 | 109.7 | N8—C12—H44 | 109.9 |
C6—N4—H10 | 109.7 | C11—C12—H44 | 109.9 |
Co1—N4—H10 | 109.7 | H43—C12—H44 | 108.3 |
H9—N4—H10 | 108.2 | N9—C13—C14 | 108.2 (17) |
C7—N5—Co1 | 109.1 (7) | N9—C13—H45 | 110.1 |
C7—N5—H11 | 109.9 | C14—C13—H45 | 110.1 |
Co1—N5—H11 | 109.9 | N9—C13—H46 | 110.1 |
C7—N5—H12 | 109.9 | C14—C13—H46 | 110.1 |
Co1—N5—H12 | 109.9 | H45—C13—H46 | 108.4 |
H11—N5—H12 | 108.3 | C13—C14—N10 | 105.4 (16) |
C9—N6—Co2 | 113.7 (5) | C13—C14—H47 | 110.7 |
C9—N6—H13 | 108.8 | N10—C14—H47 | 110.7 |
Co2—N6—H13 | 108.8 | C13—C14—H48 | 110.7 |
C9—N6—H14 | 108.8 | N10—C14—H48 | 110.7 |
Co2—N6—H14 | 108.8 | H47—C14—H48 | 108.8 |
H13—N6—H14 | 107.7 | C16—C15—N9 | 107 (3) |
C11—N7—Co2 | 110.1 (6) | C16—C15—H49 | 110.3 |
C11—N7—H15 | 109.6 | N9—C15—H49 | 110.3 |
Co2—N7—H15 | 109.6 | C16—C15—H50 | 110.3 |
C11—N7—H16 | 109.6 | N9—C15—H50 | 110.3 |
Co2—N7—H16 | 109.6 | H49—C15—H50 | 108.6 |
H15—N7—H16 | 108.2 | N10—C16—C15 | 104 (3) |
C12—N8—Co2 | 110.0 (6) | N10—C16—H51 | 111.0 |
C12—N8—H17 | 109.7 | C15—C16—H51 | 111.0 |
Co2—N8—H17 | 109.7 | N10—C16—H52 | 111.0 |
C12—N8—H18 | 109.7 | C15—C16—H52 | 111.0 |
Co2—N8—H18 | 109.7 | H51—C16—H52 | 109.0 |
H17—N8—H18 | 108.2 | O7—Cl1—O5 | 110.9 (7) |
C13—N9—Co2 | 111.6 (8) | O7—Cl1—O6 | 109.2 (7) |
C15—N9—Co2 | 106.3 (14) | O5—Cl1—O6 | 113.0 (7) |
C13—N9—H19 | 109.3 | O7—Cl1—O8 | 114.5 (11) |
Co2—N9—H19 | 109.3 | O5—Cl1—O8 | 103.9 (9) |
C13—N9—H20 | 109.3 | O6—Cl1—O8 | 105.2 (10) |
Co2—N9—H20 | 109.3 | O10—Cl2—O11 | 103.3 (10) |
H19—N9—H20 | 108.0 | O10—Cl2—O9 | 112.1 (8) |
C15—N9—H21 | 110.5 | O11—Cl2—O9 | 109.8 (9) |
Co2—N9—H21 | 110.5 | O10—Cl2—O12 | 110.9 (9) |
C15—N9—H22 | 110.5 | O11—Cl2—O12 | 103.3 (9) |
Co2—N9—H22 | 110.5 | O9—Cl2—O12 | 116.3 (8) |
H21—N9—H22 | 108.7 | O13—Cl3—O15 | 111.9 (7) |
C16—N10—Co2 | 111.0 (15) | O13—Cl3—O16 | 108.3 (9) |
C14—N10—Co2 | 108.7 (10) | O15—Cl3—O16 | 114.6 (7) |
C14—N10—H23 | 109.9 | O13—Cl3—O14 | 105.8 (9) |
Co2—N10—H23 | 109.9 | O15—Cl3—O14 | 109.6 (6) |
C14—N10—H24 | 109.9 | O16—Cl3—O14 | 106.2 (7) |
Co2—N10—H24 | 109.9 | O23—Cl4—O24 | 111.7 (8) |
H23—N10—H24 | 108.3 | O19—Cl4—O20 | 111.8 (8) |
C16—N10—H25 | 109.4 | O19—Cl4—O18 | 109.0 (7) |
Co2—N10—H25 | 109.4 | O20—Cl4—O18 | 109.5 (7) |
C16—N10—H26 | 109.4 | O23—Cl4—O22 | 110.2 (8) |
Co2—N10—H26 | 109.4 | O24—Cl4—O22 | 109.8 (8) |
H25—N10—H26 | 108.0 | O19—Cl4—O17 | 109.1 (7) |
C2—C1—S1 | 108.8 (6) | O20—Cl4—O17 | 109.3 (7) |
C2—C1—H27 | 109.9 | O18—Cl4—O17 | 108.1 (7) |
S1—C1—H27 | 109.9 | O23—Cl4—O21 | 108.6 (8) |
C2—C1—H28 | 109.9 | O24—Cl4—O21 | 109.2 (7) |
S1—C1—H28 | 109.9 | O22—Cl4—O21 | 107.2 (8) |
H27—C1—H28 | 108.3 | H53—O25—H54 | 108 (6) |
N1—C2—C3 | 111.4 (7) | H56—O26—H55 | 105 (6) |
N1—C2—C1 | 107.8 (7) | H57—O27—H58 | 106 (6) |
C3—C2—C1 | 110.9 (7) | | |
| | | |
N2—Co1—S1—C1 | −100.5 (4) | S2—Co2—N9—C15 | −103.8 (16) |
N4—Co1—S1—C1 | 167.6 (4) | N6—Co2—N10—C16 | 157 (2) |
N1—Co1—S1—C1 | −8.9 (4) | N9—Co2—N10—C16 | −19 (2) |
N5—Co1—S1—C1 | 82.7 (4) | N8—Co2—N10—C16 | −111 (2) |
N10—Co2—S2—C8 | 86.2 (4) | S2—Co2—N10—C16 | 70 (2) |
N7—Co2—S2—C8 | −97.6 (4) | N6—Co2—N10—C14 | −171.0 (13) |
N6—Co2—S2—C8 | −6.0 (4) | N9—Co2—N10—C14 | 12.6 (13) |
N9—Co2—S2—C8 | 170.7 (4) | N8—Co2—N10—C14 | −79.6 (13) |
N2—Co1—N1—C2 | 72.3 (6) | S2—Co2—N10—C14 | 101.6 (13) |
N5—Co1—N1—C2 | −110.7 (6) | Co1—S1—C1—C2 | 34.6 (7) |
N3—Co1—N1—C2 | 157.3 (6) | Co1—N1—C2—C3 | 167.9 (6) |
S1—Co1—N1—C2 | −19.1 (6) | Co1—N1—C2—C1 | 45.9 (8) |
N4—Co1—N2—C4 | −78.3 (7) | S1—C1—C2—N1 | −52.6 (9) |
N1—Co1—N2—C4 | 105.2 (7) | S1—C1—C2—C3 | −174.8 (6) |
N3—Co1—N2—C4 | 13.8 (7) | N1—C2—C3—O2 | −18.5 (12) |
S1—Co1—N2—C4 | −167.2 (7) | C1—C2—C3—O2 | 101.6 (10) |
N2—Co1—N3—C5 | 12.5 (7) | N1—C2—C3—O1 | 164.3 (7) |
N4—Co1—N3—C5 | 104.2 (7) | C1—C2—C3—O1 | −75.5 (10) |
N1—Co1—N3—C5 | −79.1 (7) | Co1—N2—C4—C5 | −37.2 (11) |
N5—Co1—N3—C5 | −170.8 (7) | Co1—N3—C5—C4 | −36.4 (10) |
N2—Co1—N4—C6 | 164.6 (7) | N2—C4—C5—N3 | 47.8 (12) |
N5—Co1—N4—C6 | −12.2 (7) | Co1—N4—C6—C7 | 36.4 (11) |
N3—Co1—N4—C6 | 79.5 (7) | Co1—N5—C7—C6 | 38.4 (11) |
S1—Co1—N4—C6 | −104.0 (7) | N4—C6—C7—N5 | −48.9 (12) |
N4—Co1—N5—C7 | −14.5 (7) | Co2—S2—C8—C9 | 33.4 (7) |
N1—Co1—N5—C7 | 161.8 (7) | S2—C8—C9—C10 | −174.0 (7) |
N3—Co1—N5—C7 | −106.6 (7) | S2—C8—C9—N6 | −52.6 (9) |
S1—Co1—N5—C7 | 74.3 (7) | Co2—N6—C9—C8 | 48.2 (9) |
N10—Co2—N6—C9 | −112.7 (7) | Co2—N6—C9—C10 | 170.9 (6) |
N7—Co2—N6—C9 | 71.2 (6) | C8—C9—C10—O4 | 105.2 (11) |
N8—Co2—N6—C9 | 155.9 (6) | N6—C9—C10—O4 | −14.6 (13) |
S2—Co2—N6—C9 | −21.5 (6) | C8—C9—C10—O3 | −73.5 (10) |
N6—Co2—N7—C11 | 109.5 (7) | N6—C9—C10—O3 | 166.8 (7) |
N9—Co2—N7—C11 | −73.9 (7) | Co2—N7—C11—C12 | −39.7 (10) |
N8—Co2—N7—C11 | 18.3 (7) | Co2—N8—C12—C11 | −30.5 (10) |
S2—Co2—N7—C11 | −163.1 (6) | N7—C11—C12—N8 | 45.8 (11) |
N10—Co2—N8—C12 | −176.7 (6) | C15—N9—C13—C14 | 43 (3) |
N7—Co2—N8—C12 | 7.2 (6) | Co2—N9—C13—C14 | −41 (3) |
N6—Co2—N8—C12 | −84.5 (6) | N9—C13—C14—N10 | 50 (3) |
N9—Co2—N8—C12 | 98.6 (6) | C16—N10—C14—C13 | 63 (3) |
N10—Co2—N9—C13 | 16.0 (13) | Co2—N10—C14—C13 | −36 (3) |
N7—Co2—N9—C13 | −168.2 (13) | C13—N9—C15—C16 | −65 (4) |
N8—Co2—N9—C13 | 107.1 (13) | Co2—N9—C15—C16 | 41 (4) |
S2—Co2—N9—C13 | −75.5 (13) | C14—N10—C16—C15 | −45 (3) |
N10—Co2—N9—C15 | −12.3 (16) | Co2—N10—C16—C15 | 46 (4) |
N7—Co2—N9—C15 | 163.6 (16) | N9—C15—C16—N10 | −56 (5) |
N8—Co2—N9—C15 | 78.8 (16) | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N6—H13···O2 | 0.90 | 2.43 | 2.843 (10) | 108 |
N8—H17···O2 | 0.90 | 2.10 | 2.947 (9) | 157 |
N5—H12···O4 | 0.90 | 2.21 | 3.067 (11) | 160 |
N1—H4···O9 | 0.90 | 2.21 | 3.030 (13) | 151 |
N2—H6···O6 | 0.90 | 2.26 | 3.086 (13) | 152 |
N3—H8···O15 | 0.90 | 2.23 | 3.061 (13) | 154 |
N4—H10···O14 | 0.90 | 2.19 | 3.045 (12) | 159 |
N8—H18···O7i | 0.90 | 2.20 | 3.084 (12) | 167 |
N9—H20···O6i | 0.90 | 2.28 | 3.135 (13) | 159 |
N9—H19···O10i | 0.90 | 2.20 | 3.059 (15) | 160 |
N10—H25···O25 | 0.90 | 2.17 | 3.064 (12) | 172 |
O1—H1···O25 | 0.89 (9) | 1.77 (8) | 2.630 (9) | 162 (11) |
O3—H2···O27 | 0.82 (11) | 1.98 (10) | 2.673 (10) | 141 (12) |
O25—H54···O26 | 0.85 (5) | 1.87 (4) | 2.696 (12) | 165 (9) |
Symmetry code: (i) −x+1, y+1/2, −z+2. |