research papers
A mixed-valence [CoII4CoIII2] cluster with defect disk-shaped topology
aSchool of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy and New Function Materials, Yan'an University, Yan'an 716000, People's Republic of China, and bCollege of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, People's Republic of China
*Correspondence e-mail: yanghua_08@163.com
The employment of the new Schiff base ligand 2-[(4-chloro-2-hydroxybenzylideneamino)methyl]phenol (H2L) bearing O2N donors for the preparation of a novel Co6 cluster is reported. The hexanuclear cobalt complex, namely, di-μ2-acetatotetrakis{μ2-2-[(4-chloro-2-oxidobenzylideneamino)methyl]phenolato}tetra-μ3-methanolato-tetracobalt(II)dicobalt(III), [CoII4CoIII2(C14H10ClNO2)4(CH3COO)2(CH3O)4], was obtained using Co(CH3COO)2·4H2O and H2L as starting materials in MeOH under solvothermal conditions. The six metal ions are linked together by the μ3-O atoms of four deprotonated MeOH molecules, two CH3COO− units and six phenolate O atoms of four L2− ligands to form a defect disk-shaped topology. DC investigations revealed the existence of antiferromagnetic interactions in the Co6 cluster.
Keywords: hexanuclear complex; cobalt; metal cluster; defect disk-shaped topology; crystal structure; magnetic properties.
CCDC reference: 1991979
1. Introduction
Polynuclear coordination compounds of 3d transition metals have attracted continued attention for several decades due to their structural novelty, interesting catalytic (Dastidar & Chattopadhyay, 2022; Shul'pin & Shul'pina, 2021; Nesterov & Nesterova, 2018; Jing et al., 2020) and biological properties (Hazari et al., 2017; Amtul et al., 2002; Azizian et al., 2012; Tanaka et al., 2003), and their potential as single-molecule magnets (SMMs) (Radu et al., 2017; Pattacini et al., 2011). Among numerous polynuclear 3d complexes, cobalt clusters have received particular interest because of their pleasing topological aesthetics (Brechin et al., 1997; Cao et al., 2013), their relevance to dioxygen reduction (Monte-Pérez et al., 2017) and their fascinating magnetic properties (Liu et al., 2020; Sarto et al., 2018; Li et al., 2020; Ma et al., 2012).
Several synthetic methodologies towards polynuclear cobalt clusters were established and one of the most efficient approaches involves the employment of hydroxy-containing Schiff base ligands. Schiff base ligands are easy to synthesize and their steric properties can be tuned by varying the size of the amine or carbonyl substituents (Qin et al., 2017, 2018; Ge et al., 2018; Li et al., 2021). More importantly, the hydroxy moieties of the Schiff base ligands can combine many metal ions with μ-O bridges, resulting in the formation of large polynuclear clusters.
In the present work, we utilized the hydroxy-containing Schiff base 2-[(4-chloro-2-hydroxybenzylideneamino)methyl]phenol (H2L) (Huang et al., 2019) as a ligand to assemble a polynuclear cobalt cluster. The hexanuclear cobalt compound [Co4IICo2III(L)4(CH3COO)2(MeO)4] (1) was obtained successfully and we report its structural diversity and discuss its magnetic properties.
2. Experimental
2.1. Materials and physical measurements
All chemicals were of reagent grade, purchased from commercial suppliers and used without further purification. All manipulations were conducted under aerobic and solvothermal conditions. H2L was synthesized following the literature procedure of Huang et al. (2019). Elemental analyses for C, H and N were performed with a Carlo-Erba EA1110 CHNO-S analyser. The FT–IR spectrum was determined on a Nicolet MagNa-IR 500 spectrometer using KBr pellets in the range 400–4000 cm−1. DC magnetic susceptibilities were measured in the temperature range 2–300 K in a field of 1000 Oe using a Quantum Design MPMS-7 SQUID magnetometer.
2.2. Synthesis and crystallization
To a Pyrex tube (10 ml) was added a mixture of H2L (0.0291 g, 0.1 mmol), Co(CH3COO)2·4H2O (0.0249 g, 0.1 mmol), Et3N (0.0202 g, 0.2 mmol) and MeOH (1.5 ml). The tube was sealed and heated at 80 °C for 48 h under autogenous pressure. It was then cooled to room temperature and dark-red needle-like crystals were obtained. The crystals were collected, washed with MeOH (2 ml) and dried in air (yield: 0.020 g; 48% based on cobalt). Analysis calculated (%) for C64H58Cl4Co6N4O16: C 47.03, H 3.58, N 3.43; found (%): C 46.18, H 4.048, N 3.280. Selected IR data for 1 (cm−1): 1637 (s), 1590 (s), 1523 (s), 1450 (m), 1419 (m), 1286 (w), 1248 (s), 1185 (s), 1089 (m), 1021 (m), 933 (s), 874 (m), 852 (w), 755 (s).
2.3. Structure determination
Crystal data, data collection and structure . The contained disordered solvent that could not be satisfactorily refined. The SQUEEZE (Spek, 2015) routine of PLATON (Spek, 2020) was used in the treatment of the crystallographic data. All H atoms were placed in geometrically idealized positions, with C—H = 0.95–0.99 Å. The H atoms of the CH2, aromatic and amide groups were constrained to ride on their parent atoms, with Uiso(H) = 1.2Ueq(C). The H atoms of CH3 groups were refined as rotating groups, with Uiso(H) = 1.5Ueq(C).
details are summarized in Table 13. Results and discussion
3.1. Synthesis of complex 1 and IR spectral analysis
The reaction of H2L and Co(CH3COO)2·4H2O in MeOH in the presence of NEt3 under solvothermal conditions led to the isolation of 1 in moderate yield. Co(CH3COO)2·4H2O is a good starting material because it not only serves as a convenient metal source, but also provides CH3COO− bridging ligands. In the solid state, complex 1 is stable in air and its elemental analysis is consistent with the given molecular formula.
The vibrational bands in the IR spectrum agree well with the formulation of complex 1 (see Fig. S1 in the supporting information). The signals of the carboxyl νas(CO2) and νs(CO2) vibrations were found in the 1637–1419 cm−1 range. The vibrations of the C=N bond appear at 1450 cm−1. Several bands in the 1286–1185 cm−1 range were assigned to the vibrations of the aromatic rings. The sharp signals in the 979–766 cm−1 range were ascribed to the vibrations of C—H bonds.
3.2. Structure description of 1
Single crystals of 1 were obtained from MeOH under solvothermal conditions. Complex 1 crystallized in the orthorhombic P212121. The structure is shown in Fig. 1. The structure analysis shows that complex 1 is composed of six cobalt ions, four 2-[(4-chloro-2-oxidobenzylideneamino)methyl]phenolate (L2−) ligands, two acetate ligands and four methanol-solvent-derived MeO− ligands. There exists an approximate C2 symmetry in the molecule. The imine N atom and both phenolate O-atom donors of each L2− ligand coordinate each cobalt centre. Bond valence calculations (Brese & O'Keeffe, 1991; Brown & Altermatt, 1985) gave valence parameters of 1.90, 2.32, 3.60, 2.12, 3.64 and 2.31 for the Co1–Co6 ions, respectively, indicating that the Co3 and Co5 ions are in 3+ valence states, and that the Co1, Co2, Co4 and Co6 ions are in 2+ oxidation states. The formation of four fused defect cubes confirms the involvement of four methanol-solvent-derived μ3-O− groups, giving the Co6O10 structure. Thus, the molecular structure of 1 displays a defect disk-shaped topology [Fig. 1(b)]. Of the six cobalt centres, the Co1, Co3, Co4 and Co5 ions are six-coordinated, and the Co2 and Co6 ions are five-coordinated. The coordination environments of the Co2 and Co6 ions, and the Co3 and Co5 ions are individually identical. The Co1 centre is present in a distorted octahedral O6 coordination environment, among which two O atoms are from two μ2-κ4O:O,O′,N L2− ligands and four O atoms are from four μ3-O− MeO− ligands. The Co2 centre is enclosed by the N and O atoms of one μ2-κ4O:O,O′,N L2− ligand, one O atom of a μ3-κ5O:O,N,O′:O′ L2− ligand and one O atom of one μ3-O− MeO− ligand. The six-coordinate NO5 environment around the Co3 ion is accomplished by two μ3-O− MeO− groups, one O atom from one acetate bridge and the N and O atoms of one μ3-κ5O:O,N,O′:O′ L2− ligand. The six O-donor atoms around the Co6 centre originate from bridging acetate ligands, two μ3-O− MeO− groups and two μ3-κ5O:O,N,O′:O′ L2− ligands. The H2L ligand exhibits two types of coordination mode.
The geometries of the five-coordinated Co2 and Co6 atoms were analyzed with the program SHAPE (Version 2.0; Pinsky & Avnir, 1998). The calculated values revealed trigonal bipyramid (D3h) geometry for both atoms, with a minimum CShM (contunuous shape measure) value of 1.065 for Co2 and 1.172 for Co6.
Complex 1 joins a small family of Co6 clusters. Hexanuclear cobalt complexes mainly exhibit wheel, cage and ring topologies (Shi et al., 2021; Zou et al., 2014; Wang et al., 2013; Guo et al., 2013; Lazzarini et al., 2012; Chen et al., 2010; Malassa et al., 2010; Tudor et al., 2010; Colacio et al., 2009; Jones et al., 2009; Shiga & Oshio, 2007; Alley et al., 2006; Murrie et al., 2003; Kumagai et al., 2003; Gutschke et al., 1999). Complex 1 is a rare example that displays a defect disk-shaped structure.
3.3. Magnetic properties of 1
1 are shown in Fig. 2. The room temperature χMT value is 10.96 cm3 mol−1 K, which is greater than the value of 7.50 cm3 mol−1 K for four uncoupled S = 3/2 CoII centres, possibly owing to the orbital contributions of the metal ions (Cao et al., 2013). Upon lowering the temperature, the χMT value drops slightly to a minimum value of 3.49 cm3 mol−1 K at 2 K, which suggests possible antiferromagnetic couplings between the unpaired spins. The data of 1/χM in the temperature range 2–300 K were fitted by the Curie–Weiss Law of 1/χM = (T − θ)/C. The Curie constant C = 12.09 cm3 mol−1 K and the Weiss constant θ = −37.24 K were obtained. The negative θ value proves the antiferromagnetic interactions.
data as a function of temperature for complexThe magnetic dynamic behaviour of 1 was also explored. The ac magnetic susceptibilities for 1 at 1000 Hz under a zero-dc field in the temperature range 2–25 K were shown in Fig. S2 (see supporting information). The χ′′ susceptibilities at 1000 Hz did not increase upon lowering the temperature and no peaks were determined. These phenomena revealed that complex 1 is not a single-molecule magnet.
4. Conclusion
A hexanuclear cobalt complex of composition [Co2IIICo4II(L)4(CH3COO)2(MeO)4] (1), based on the hydroxy-containing Schiff base ligand 2-[(4-chloro-2-hydroxybenzylideneamino)methyl]phenol (H2L) was prepared and characterized. Complex 1 exhibits a defect disk-shaped topology. Four cobalt ions are six-coordinated and two cobalt ions are five-coordinated. An investigation of the magnetic properties revealed that there exist antiferromagnetic interactions between the CoII ions.
Supporting information
CCDC reference: 1991979
https://doi.org/10.1107/S2053229622005885/wv3009sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2053229622005885/wv3009Isup2.hkl
IR spectrum, https://doi.org/10.1107/S2053229622005885/wv3009sup3.pdf
figure, geometry details and table of CShM values. DOI:Data collection: SAINT (Bruker, 2016); cell
APEX2 (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: olex2.solve (Bourhis et al., 2015); program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009) and PLATON (Spek, 2020).[Co6(C14H10ClNO2)4(C2H3O2)2(CH3O)4] | Dx = 1.538 Mg m−3 |
Mr = 1634.52 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, P212121 | Cell parameters from 9807 reflections |
a = 15.4873 (10) Å | θ = 2.3–25.0° |
b = 16.2116 (11) Å | µ = 1.60 mm−1 |
c = 28.1099 (19) Å | T = 120 K |
V = 7057.7 (8) Å3 | Block, red |
Z = 4 | 0.4 × 0.2 × 0.2 mm |
F(000) = 3312 |
Bruker SMART APEXII diffractometer | 11376 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.094 |
phi and ω scans | θmax = 27.5°, θmin = 2.3° |
Absorption correction: multi-scan (SADABS; Bruker, 2016) | h = −16→20 |
Tmin = 0.612, Tmax = 0.746 | k = −21→20 |
78040 measured reflections | l = −36→36 |
16170 independent reflections |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.057 | w = 1/[σ2(Fo2) + (0.0906P)2 + 7.497P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.174 | (Δ/σ)max = 0.001 |
S = 1.04 | Δρmax = 0.65 e Å−3 |
16170 reflections | Δρmin = −0.78 e Å−3 |
853 parameters | Absolute structure: Flack x determined using 4303 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013) |
12 restraints | Absolute structure parameter: 0.011 (8) |
Primary atom site location: iterative |
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. SQUEEZE, constraints & restraints, applied to the data, 17 reflections OMITted Data for 1 was collected on a Bruker SMART APEXII diffractometer equipped with a graphite monochromator utilizing Mo Kα radiation (λ = 0.71073). The crystal structure of 1 was solved with the OLEX2 program (Dolomanov et al., 2009) and refined by SHELXL package (Sheldrick, 2015). The crystal structure of 1 contained disordered solvent that could not be satisfactorily refined. The SQUEEZE routine of PLATON was used in the treatment of the crystallographic data. CCDC-1991979 (1) contains the supplementary crystallographic data for this paper. The data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Centre, 12 Union Road, Cambridge CB21EZ, UK; Fax: (+44) 1223–336-033; or deposit@ccdc.cam.ac.uk). The crystallographic data was shown in Table 1. Selected bond lengths and bond angles of 1 are listed in Table 2. |
x | y | z | Uiso*/Ueq | ||
Co1 | 0.76532 (7) | 0.48030 (7) | 0.63042 (4) | 0.0272 (3) | |
Co2 | 0.75457 (8) | 0.37642 (7) | 0.53446 (4) | 0.0310 (3) | |
Co3 | 0.64711 (8) | 0.53340 (8) | 0.54249 (4) | 0.0308 (3) | |
Co4 | 0.60975 (9) | 0.60947 (8) | 0.63671 (4) | 0.0339 (3) | |
Co5 | 0.71075 (8) | 0.57569 (8) | 0.72480 (4) | 0.0309 (3) | |
Co6 | 0.88399 (8) | 0.48935 (8) | 0.72294 (4) | 0.0311 (3) | |
Cl1 | 0.27968 (19) | 0.4953 (3) | 0.70412 (13) | 0.0880 (13) | |
Cl2 | 0.6728 (4) | 0.94857 (19) | 0.58576 (13) | 0.0949 (15) | |
Cl3 | 1.0115 (2) | 0.2814 (2) | 0.34231 (10) | 0.0618 (8) | |
Cl4 | 1.0081 (2) | 0.2435 (2) | 0.91102 (11) | 0.0657 (9) | |
O1 | 0.8938 (4) | 0.4073 (4) | 0.7727 (2) | 0.0380 (15) | |
O2 | 0.8905 (4) | 0.4868 (4) | 0.6523 (2) | 0.0312 (13) | |
O3 | 0.8270 (4) | 0.5965 (4) | 0.7389 (2) | 0.0360 (15) | |
O4 | 0.5975 (4) | 0.5510 (4) | 0.7035 (2) | 0.0328 (14) | |
O5 | 0.8388 (5) | 0.3739 (4) | 0.4831 (2) | 0.0409 (16) | |
O6 | 0.7686 (4) | 0.3639 (4) | 0.6037 (2) | 0.0326 (14) | |
O7 | 0.6375 (4) | 0.4225 (4) | 0.5223 (2) | 0.0352 (15) | |
O8 | 0.6589 (4) | 0.6401 (4) | 0.5695 (2) | 0.0344 (14) | |
O9 | 0.5259 (4) | 0.5511 (4) | 0.5349 (2) | 0.0422 (16) | |
O10 | 0.4897 (5) | 0.6094 (5) | 0.6053 (2) | 0.0453 (17) | |
O11 | 0.5940 (6) | 0.7169 (4) | 0.6734 (2) | 0.052 (2) | |
O12 | 0.6775 (5) | 0.6864 (4) | 0.7377 (2) | 0.0432 (17) | |
O13 | 0.6353 (4) | 0.4952 (4) | 0.6070 (2) | 0.0298 (13) | |
O14 | 0.7492 (4) | 0.4674 (4) | 0.70863 (19) | 0.0289 (13) | |
O15 | 0.7654 (4) | 0.5070 (4) | 0.5537 (2) | 0.0288 (13) | |
O16 | 0.7373 (4) | 0.5983 (4) | 0.6593 (2) | 0.0301 (13) | |
N1 | 1.0097 (5) | 0.5200 (5) | 0.7269 (3) | 0.0342 (17) | |
N2 | 0.6850 (5) | 0.5540 (5) | 0.7906 (3) | 0.0364 (19) | |
N3 | 0.7286 (5) | 0.2548 (5) | 0.5280 (3) | 0.0352 (18) | |
N4 | 0.6619 (5) | 0.5716 (5) | 0.4782 (3) | 0.0364 (18) | |
C1 | 0.4468 (6) | 0.5296 (7) | 0.7069 (4) | 0.045 (3) | |
H1 | 0.4423 | 0.5343 | 0.6733 | 0.054* | |
C2 | 0.3754 (7) | 0.5145 (9) | 0.7339 (4) | 0.060 (3) | |
C3 | 0.3781 (7) | 0.5108 (8) | 0.7839 (4) | 0.053 (3) | |
H3 | 0.3270 | 0.5027 | 0.8020 | 0.064* | |
C4 | 0.4559 (7) | 0.5190 (7) | 0.8052 (4) | 0.049 (3) | |
H4 | 0.4588 | 0.5150 | 0.8389 | 0.058* | |
C5 | 0.5320 (6) | 0.5333 (6) | 0.7801 (4) | 0.039 (2) | |
C6 | 0.5283 (6) | 0.5380 (6) | 0.7300 (4) | 0.037 (2) | |
C7 | 0.6097 (7) | 0.5405 (6) | 0.8072 (3) | 0.038 (2) | |
H7 | 0.6048 | 0.5348 | 0.8408 | 0.045* | |
C8 | 0.7583 (7) | 0.5597 (6) | 0.8253 (3) | 0.036 (2) | |
H8A | 0.7351 | 0.5577 | 0.8581 | 0.043* | |
H8B | 0.7970 | 0.5117 | 0.8209 | 0.043* | |
C9 | 0.8089 (7) | 0.6371 (6) | 0.8189 (3) | 0.038 (2) | |
C10 | 0.8217 (8) | 0.6933 (7) | 0.8549 (4) | 0.048 (3) | |
H10 | 0.7953 | 0.6842 | 0.8850 | 0.058* | |
C11 | 0.8722 (8) | 0.7628 (7) | 0.8482 (4) | 0.052 (3) | |
H11 | 0.8810 | 0.8008 | 0.8734 | 0.062* | |
C12 | 0.9110 (8) | 0.7766 (7) | 0.8028 (4) | 0.052 (3) | |
H12 | 0.9468 | 0.8234 | 0.7980 | 0.062* | |
C13 | 0.8968 (8) | 0.7219 (6) | 0.7656 (4) | 0.045 (2) | |
H13 | 0.9209 | 0.7312 | 0.7350 | 0.054* | |
C14 | 0.8449 (7) | 0.6517 (6) | 0.7750 (3) | 0.039 (2) | |
C15 | 0.9556 (7) | 0.3343 (7) | 0.8366 (4) | 0.044 (2) | |
H15 | 0.9028 | 0.3052 | 0.8403 | 0.052* | |
C16 | 0.9615 (6) | 0.3927 (6) | 0.8002 (3) | 0.035 (2) | |
C17 | 1.0425 (6) | 0.4339 (6) | 0.7952 (3) | 0.035 (2) | |
C18 | 1.0999 (7) | 0.3583 (8) | 0.8636 (4) | 0.051 (3) | |
H18 | 1.1452 | 0.3475 | 0.8855 | 0.062* | |
C19 | 1.1099 (7) | 0.4154 (7) | 0.8276 (4) | 0.047 (3) | |
H19 | 1.1636 | 0.4432 | 0.8244 | 0.057* | |
C20 | 1.0212 (7) | 0.3171 (7) | 0.8668 (4) | 0.044 (2) | |
C21 | 1.0635 (6) | 0.4918 (6) | 0.7579 (3) | 0.035 (2) | |
H21 | 1.1215 | 0.5106 | 0.7561 | 0.043* | |
C22 | 1.0409 (7) | 0.5708 (7) | 0.6875 (3) | 0.040 (2) | |
H22A | 1.1000 | 0.5907 | 0.6944 | 0.048* | |
H22B | 1.0029 | 0.6194 | 0.6834 | 0.048* | |
C23 | 1.0413 (6) | 0.5210 (7) | 0.6432 (3) | 0.039 (2) | |
C24 | 1.1158 (7) | 0.5121 (6) | 0.6156 (4) | 0.042 (2) | |
H24 | 1.1665 | 0.5412 | 0.6248 | 0.050* | |
C25 | 1.1186 (7) | 0.4631 (7) | 0.5759 (3) | 0.044 (2) | |
H25 | 1.1704 | 0.4593 | 0.5579 | 0.052* | |
C26 | 1.0474 (7) | 0.4197 (7) | 0.5621 (4) | 0.043 (2) | |
H26 | 1.0499 | 0.3850 | 0.5349 | 0.051* | |
C27 | 0.9702 (6) | 0.4266 (6) | 0.5882 (3) | 0.036 (2) | |
H27 | 0.9207 | 0.3960 | 0.5788 | 0.043* | |
C28 | 0.9662 (6) | 0.4782 (6) | 0.6278 (3) | 0.034 (2) | |
C29 | 0.8365 (6) | 0.2853 (6) | 0.6654 (3) | 0.037 (2) | |
H29 | 0.8709 | 0.3318 | 0.6734 | 0.044* | |
C30 | 0.8427 (7) | 0.2144 (6) | 0.6922 (4) | 0.043 (2) | |
H30 | 0.8797 | 0.2121 | 0.7192 | 0.052* | |
C31 | 0.7947 (7) | 0.1476 (7) | 0.6794 (4) | 0.048 (3) | |
H31 | 0.7971 | 0.0989 | 0.6981 | 0.057* | |
C32 | 0.7422 (7) | 0.1498 (6) | 0.6391 (4) | 0.045 (2) | |
H32 | 0.7105 | 0.1019 | 0.6304 | 0.054* | |
C33 | 0.7353 (6) | 0.2198 (6) | 0.6117 (3) | 0.033 (2) | |
C34 | 0.7802 (6) | 0.2900 (5) | 0.6267 (3) | 0.032 (2) | |
C35 | 0.6792 (6) | 0.2187 (6) | 0.5677 (3) | 0.037 (2) | |
H35A | 0.6624 | 0.1614 | 0.5599 | 0.044* | |
H35B | 0.6260 | 0.2512 | 0.5733 | 0.044* | |
C36 | 0.7550 (6) | 0.2086 (6) | 0.4935 (3) | 0.036 (2) | |
H36 | 0.7351 | 0.1532 | 0.4929 | 0.044* | |
C37 | 0.8119 (6) | 0.2338 (6) | 0.4560 (3) | 0.036 (2) | |
C38 | 0.8302 (7) | 0.1754 (7) | 0.4205 (3) | 0.043 (2) | |
H38 | 0.8014 | 0.1236 | 0.4217 | 0.052* | |
C39 | 0.8873 (7) | 0.1895 (7) | 0.3846 (3) | 0.047 (3) | |
H39 | 0.8966 | 0.1497 | 0.3603 | 0.056* | |
C40 | 0.9318 (7) | 0.2643 (8) | 0.3847 (3) | 0.047 (3) | |
C41 | 0.9149 (7) | 0.3239 (7) | 0.4177 (4) | 0.042 (2) | |
H41 | 0.9455 | 0.3745 | 0.4162 | 0.050* | |
C42 | 0.8532 (6) | 0.3123 (6) | 0.4540 (3) | 0.035 (2) | |
C43 | 0.5196 (6) | 0.3442 (7) | 0.4902 (4) | 0.042 (2) | |
H43 | 0.5135 | 0.3150 | 0.5194 | 0.051* | |
C44 | 0.5833 (6) | 0.4050 (6) | 0.4854 (3) | 0.035 (2) | |
C45 | 0.4645 (7) | 0.3265 (8) | 0.4515 (4) | 0.055 (3) | |
H45 | 0.4230 | 0.2835 | 0.4535 | 0.066* | |
C46 | 0.4723 (7) | 0.3731 (9) | 0.4106 (4) | 0.056 (3) | |
H46 | 0.4342 | 0.3632 | 0.3847 | 0.068* | |
C47 | 0.5346 (8) | 0.4342 (8) | 0.4064 (4) | 0.053 (3) | |
H47 | 0.5384 | 0.4660 | 0.3781 | 0.064* | |
C48 | 0.5921 (7) | 0.4488 (6) | 0.4441 (3) | 0.040 (2) | |
C49 | 0.6648 (7) | 0.5090 (6) | 0.4405 (3) | 0.041 (2) | |
H49A | 0.7203 | 0.4788 | 0.4425 | 0.049* | |
H49B | 0.6624 | 0.5367 | 0.4092 | 0.049* | |
C50 | 0.6674 (6) | 0.6489 (6) | 0.4657 (3) | 0.036 (2) | |
H50 | 0.6716 | 0.6603 | 0.4327 | 0.043* | |
C51 | 0.6675 (6) | 0.7168 (6) | 0.4969 (3) | 0.036 (2) | |
C52 | 0.6742 (7) | 0.7961 (6) | 0.4756 (4) | 0.045 (3) | |
H52 | 0.6781 | 0.7998 | 0.4420 | 0.054* | |
C53 | 0.6754 (8) | 0.8669 (7) | 0.5016 (4) | 0.054 (3) | |
H53 | 0.6802 | 0.9192 | 0.4866 | 0.064* | |
C54 | 0.6692 (8) | 0.8603 (7) | 0.5515 (4) | 0.051 (3) | |
C55 | 0.6638 (8) | 0.7861 (6) | 0.5741 (4) | 0.045 (3) | |
H55 | 0.6612 | 0.7836 | 0.6078 | 0.055* | |
C56 | 0.6622 (6) | 0.7123 (6) | 0.5466 (3) | 0.036 (2) | |
C57 | 0.4733 (7) | 0.5833 (8) | 0.5639 (4) | 0.053 (3) | |
C58 | 0.3814 (8) | 0.5903 (13) | 0.5464 (6) | 0.096 (5) | |
H58A | 0.3655 | 0.6487 | 0.5440 | 0.144* | |
H58B | 0.3427 | 0.5626 | 0.5689 | 0.144* | |
H58C | 0.3765 | 0.5643 | 0.5151 | 0.144* | |
C59 | 0.6256 (11) | 0.7309 (7) | 0.7142 (4) | 0.062 (4) | |
C60 | 0.6036 (12) | 0.8124 (10) | 0.7369 (6) | 0.094 (5) | |
H60A | 0.6531 | 0.8497 | 0.7344 | 0.140* | |
H60B | 0.5893 | 0.8038 | 0.7705 | 0.140* | |
H60C | 0.5538 | 0.8368 | 0.7206 | 0.140* | |
C61 | 0.5769 (6) | 0.4302 (6) | 0.6171 (3) | 0.036 (2) | |
H61A | 0.6032 | 0.3774 | 0.6082 | 0.055* | |
H61B | 0.5236 | 0.4382 | 0.5989 | 0.055* | |
H61C | 0.5636 | 0.4299 | 0.6512 | 0.055* | |
C62 | 0.7050 (6) | 0.3996 (6) | 0.7304 (3) | 0.036 (2) | |
H62A | 0.6429 | 0.4043 | 0.7242 | 0.054* | |
H62B | 0.7153 | 0.4003 | 0.7648 | 0.054* | |
H62C | 0.7265 | 0.3476 | 0.7170 | 0.054* | |
C63 | 0.7956 (7) | 0.6638 (6) | 0.6484 (3) | 0.037 (2) | |
H63A | 0.8550 | 0.6457 | 0.6543 | 0.055* | |
H63B | 0.7825 | 0.7116 | 0.6684 | 0.055* | |
H63C | 0.7894 | 0.6791 | 0.6148 | 0.055* | |
C64 | 0.8312 (6) | 0.5582 (6) | 0.5321 (4) | 0.040 (2) | |
H64A | 0.8213 | 0.6159 | 0.5408 | 0.060* | |
H64B | 0.8288 | 0.5524 | 0.4975 | 0.060* | |
H64C | 0.8882 | 0.5409 | 0.5436 | 0.060* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0306 (6) | 0.0269 (6) | 0.0242 (6) | 0.0002 (5) | −0.0015 (5) | −0.0026 (5) |
Co2 | 0.0346 (6) | 0.0300 (6) | 0.0283 (6) | 0.0024 (5) | −0.0027 (5) | −0.0032 (5) |
Co3 | 0.0349 (6) | 0.0329 (7) | 0.0247 (6) | 0.0038 (5) | −0.0031 (5) | −0.0006 (5) |
Co4 | 0.0406 (7) | 0.0336 (6) | 0.0275 (6) | 0.0086 (6) | 0.0001 (5) | −0.0009 (5) |
Co5 | 0.0384 (7) | 0.0304 (6) | 0.0240 (6) | 0.0010 (5) | 0.0017 (5) | −0.0028 (5) |
Co6 | 0.0315 (6) | 0.0358 (6) | 0.0261 (6) | −0.0023 (5) | −0.0015 (5) | −0.0027 (5) |
Cl1 | 0.0342 (14) | 0.163 (4) | 0.067 (2) | 0.013 (2) | 0.0036 (13) | 0.009 (2) |
Cl2 | 0.189 (5) | 0.0361 (16) | 0.060 (2) | −0.007 (2) | 0.005 (2) | −0.0041 (14) |
Cl3 | 0.0632 (18) | 0.078 (2) | 0.0436 (15) | 0.0168 (16) | 0.0178 (14) | 0.0156 (15) |
Cl4 | 0.0634 (19) | 0.077 (2) | 0.0562 (18) | 0.0193 (16) | 0.0140 (15) | 0.0292 (16) |
O1 | 0.032 (3) | 0.045 (4) | 0.038 (4) | −0.004 (3) | −0.005 (3) | 0.001 (3) |
O2 | 0.029 (3) | 0.041 (3) | 0.024 (3) | −0.001 (3) | 0.000 (2) | −0.001 (3) |
O3 | 0.048 (4) | 0.037 (4) | 0.023 (3) | −0.008 (3) | 0.004 (3) | −0.007 (3) |
O4 | 0.033 (3) | 0.036 (3) | 0.029 (3) | 0.006 (3) | 0.004 (3) | 0.002 (3) |
O5 | 0.050 (4) | 0.037 (4) | 0.036 (3) | 0.003 (3) | −0.001 (3) | −0.004 (3) |
O6 | 0.040 (4) | 0.029 (3) | 0.028 (3) | 0.002 (3) | −0.004 (3) | −0.001 (3) |
O7 | 0.037 (3) | 0.042 (4) | 0.028 (3) | −0.001 (3) | −0.008 (3) | −0.003 (3) |
O8 | 0.052 (4) | 0.028 (3) | 0.024 (3) | 0.003 (3) | −0.001 (3) | 0.003 (3) |
O9 | 0.040 (4) | 0.052 (4) | 0.034 (4) | 0.005 (3) | −0.002 (3) | 0.003 (3) |
O10 | 0.045 (4) | 0.052 (4) | 0.040 (4) | 0.012 (3) | 0.001 (3) | 0.004 (3) |
O11 | 0.085 (6) | 0.037 (4) | 0.034 (4) | 0.021 (4) | 0.003 (4) | −0.001 (3) |
O12 | 0.067 (5) | 0.033 (4) | 0.029 (3) | 0.001 (3) | 0.005 (3) | −0.001 (3) |
O13 | 0.035 (3) | 0.028 (3) | 0.026 (3) | 0.000 (3) | −0.001 (2) | 0.001 (2) |
O14 | 0.034 (3) | 0.031 (3) | 0.022 (3) | −0.003 (3) | 0.002 (2) | −0.001 (2) |
O15 | 0.032 (3) | 0.029 (3) | 0.026 (3) | −0.001 (3) | −0.002 (2) | −0.004 (2) |
O16 | 0.036 (3) | 0.029 (3) | 0.026 (3) | −0.003 (3) | −0.001 (3) | −0.003 (2) |
N1 | 0.039 (4) | 0.034 (4) | 0.030 (4) | −0.007 (4) | −0.006 (3) | 0.000 (3) |
N2 | 0.051 (5) | 0.032 (4) | 0.026 (4) | 0.002 (4) | 0.000 (3) | −0.004 (3) |
N3 | 0.044 (4) | 0.031 (4) | 0.031 (4) | 0.002 (3) | −0.002 (3) | −0.003 (3) |
N4 | 0.034 (4) | 0.046 (5) | 0.029 (4) | 0.004 (4) | −0.005 (3) | −0.005 (4) |
C1 | 0.037 (5) | 0.066 (7) | 0.032 (5) | 0.014 (5) | 0.007 (4) | −0.002 (5) |
C2 | 0.035 (6) | 0.083 (9) | 0.061 (7) | 0.009 (6) | 0.010 (5) | −0.004 (7) |
C3 | 0.038 (6) | 0.070 (8) | 0.051 (6) | 0.001 (5) | 0.016 (5) | −0.012 (6) |
C4 | 0.052 (6) | 0.053 (7) | 0.040 (6) | 0.008 (6) | 0.014 (5) | −0.009 (5) |
C5 | 0.040 (5) | 0.039 (5) | 0.039 (5) | 0.005 (4) | 0.007 (4) | −0.002 (5) |
C6 | 0.031 (5) | 0.040 (5) | 0.040 (5) | 0.003 (4) | 0.015 (4) | −0.006 (4) |
C7 | 0.046 (6) | 0.037 (5) | 0.031 (5) | −0.002 (5) | 0.009 (4) | 0.000 (4) |
C8 | 0.043 (5) | 0.041 (5) | 0.024 (4) | −0.004 (4) | 0.000 (4) | −0.002 (4) |
C9 | 0.052 (6) | 0.044 (6) | 0.018 (4) | 0.001 (5) | −0.005 (4) | −0.002 (4) |
C10 | 0.062 (7) | 0.053 (6) | 0.030 (5) | 0.006 (6) | −0.006 (5) | −0.014 (5) |
C11 | 0.058 (7) | 0.046 (6) | 0.051 (6) | 0.004 (5) | −0.011 (6) | −0.021 (5) |
C12 | 0.063 (7) | 0.038 (6) | 0.055 (7) | −0.006 (5) | −0.009 (6) | −0.008 (5) |
C13 | 0.060 (7) | 0.035 (5) | 0.040 (6) | −0.011 (5) | 0.000 (5) | −0.007 (4) |
C14 | 0.051 (6) | 0.035 (5) | 0.031 (5) | −0.001 (4) | −0.004 (5) | −0.010 (4) |
C15 | 0.043 (6) | 0.049 (6) | 0.039 (6) | 0.007 (5) | 0.008 (5) | 0.007 (5) |
C16 | 0.036 (5) | 0.042 (5) | 0.027 (4) | 0.007 (4) | 0.003 (4) | −0.005 (4) |
C17 | 0.039 (5) | 0.037 (5) | 0.028 (4) | −0.002 (4) | −0.001 (4) | −0.001 (4) |
C18 | 0.045 (6) | 0.071 (8) | 0.038 (6) | 0.012 (6) | −0.005 (5) | 0.007 (6) |
C19 | 0.040 (6) | 0.055 (7) | 0.047 (6) | 0.004 (5) | −0.010 (5) | −0.001 (5) |
C20 | 0.047 (6) | 0.056 (6) | 0.029 (5) | 0.018 (5) | 0.001 (4) | 0.005 (5) |
C21 | 0.030 (5) | 0.039 (5) | 0.038 (5) | −0.003 (4) | 0.000 (4) | 0.001 (4) |
C22 | 0.044 (6) | 0.042 (6) | 0.034 (5) | −0.005 (5) | −0.003 (4) | 0.007 (4) |
C23 | 0.034 (5) | 0.045 (6) | 0.038 (5) | −0.007 (4) | −0.004 (4) | 0.010 (5) |
C24 | 0.041 (5) | 0.039 (5) | 0.046 (6) | 0.000 (5) | 0.008 (4) | 0.014 (5) |
C25 | 0.038 (5) | 0.058 (7) | 0.035 (5) | 0.003 (5) | 0.012 (4) | 0.015 (5) |
C26 | 0.044 (6) | 0.047 (6) | 0.037 (5) | 0.019 (5) | 0.010 (4) | 0.007 (5) |
C27 | 0.037 (5) | 0.039 (5) | 0.032 (5) | 0.011 (4) | −0.004 (4) | 0.002 (4) |
C28 | 0.037 (5) | 0.037 (5) | 0.026 (4) | 0.008 (4) | 0.005 (4) | 0.001 (4) |
C29 | 0.041 (5) | 0.036 (5) | 0.033 (5) | 0.002 (4) | 0.001 (4) | −0.002 (4) |
C30 | 0.050 (6) | 0.042 (6) | 0.037 (5) | 0.010 (5) | 0.001 (5) | 0.009 (5) |
C31 | 0.055 (7) | 0.038 (6) | 0.050 (6) | −0.001 (5) | −0.006 (5) | 0.003 (5) |
C32 | 0.061 (7) | 0.026 (4) | 0.048 (6) | −0.007 (5) | 0.000 (5) | 0.003 (4) |
C33 | 0.044 (5) | 0.029 (4) | 0.027 (4) | 0.005 (4) | −0.001 (4) | 0.004 (4) |
C34 | 0.037 (5) | 0.023 (4) | 0.035 (5) | 0.006 (4) | −0.003 (4) | −0.004 (4) |
C35 | 0.042 (5) | 0.035 (5) | 0.034 (5) | −0.007 (4) | 0.005 (4) | −0.006 (4) |
C36 | 0.040 (5) | 0.032 (5) | 0.038 (5) | −0.004 (4) | 0.001 (4) | −0.011 (4) |
C37 | 0.040 (5) | 0.042 (5) | 0.024 (4) | 0.009 (4) | −0.007 (4) | −0.003 (4) |
C38 | 0.045 (6) | 0.051 (6) | 0.033 (5) | −0.001 (5) | 0.004 (4) | −0.006 (5) |
C39 | 0.055 (7) | 0.056 (7) | 0.029 (5) | 0.013 (6) | −0.004 (5) | −0.006 (5) |
C40 | 0.049 (6) | 0.067 (8) | 0.024 (5) | 0.019 (6) | 0.002 (4) | 0.011 (5) |
C41 | 0.044 (6) | 0.040 (6) | 0.041 (6) | 0.002 (5) | 0.007 (5) | 0.009 (5) |
C42 | 0.036 (5) | 0.040 (5) | 0.031 (5) | 0.011 (4) | 0.002 (4) | 0.000 (4) |
C43 | 0.037 (5) | 0.049 (6) | 0.041 (6) | −0.009 (5) | −0.010 (4) | −0.004 (5) |
C44 | 0.031 (5) | 0.041 (5) | 0.031 (5) | 0.003 (4) | −0.005 (4) | −0.010 (4) |
C45 | 0.038 (6) | 0.074 (8) | 0.055 (7) | −0.007 (6) | −0.007 (5) | −0.021 (6) |
C46 | 0.046 (6) | 0.094 (10) | 0.029 (5) | −0.016 (7) | −0.014 (5) | −0.016 (6) |
C47 | 0.059 (7) | 0.072 (8) | 0.028 (5) | 0.015 (6) | −0.010 (5) | −0.010 (5) |
C48 | 0.048 (6) | 0.047 (6) | 0.024 (4) | 0.004 (5) | −0.001 (4) | −0.007 (4) |
C49 | 0.063 (6) | 0.038 (5) | 0.021 (4) | 0.006 (5) | −0.002 (4) | 0.000 (4) |
C50 | 0.033 (5) | 0.041 (5) | 0.034 (5) | 0.003 (4) | 0.001 (4) | 0.004 (4) |
C51 | 0.037 (5) | 0.044 (6) | 0.027 (5) | 0.004 (4) | −0.002 (4) | 0.006 (4) |
C52 | 0.056 (6) | 0.042 (6) | 0.037 (5) | −0.010 (5) | −0.011 (5) | 0.012 (5) |
C53 | 0.075 (8) | 0.036 (6) | 0.049 (7) | −0.010 (6) | −0.003 (6) | 0.011 (5) |
C54 | 0.072 (8) | 0.041 (6) | 0.041 (6) | −0.003 (6) | −0.005 (5) | 0.004 (5) |
C55 | 0.071 (7) | 0.030 (5) | 0.035 (5) | 0.000 (5) | −0.009 (5) | 0.004 (4) |
C56 | 0.040 (5) | 0.033 (5) | 0.034 (5) | 0.013 (4) | −0.002 (4) | 0.010 (4) |
C57 | 0.047 (6) | 0.071 (8) | 0.040 (6) | 0.028 (6) | 0.000 (5) | 0.003 (6) |
C58 | 0.039 (7) | 0.162 (15) | 0.087 (10) | 0.037 (9) | −0.015 (7) | −0.024 (11) |
C59 | 0.121 (12) | 0.038 (6) | 0.027 (5) | 0.021 (7) | 0.005 (6) | −0.002 (4) |
C60 | 0.098 (5) | 0.091 (5) | 0.092 (5) | 0.004 (3) | −0.001 (3) | −0.001 (3) |
C61 | 0.032 (5) | 0.040 (5) | 0.038 (5) | −0.007 (4) | −0.002 (4) | 0.001 (4) |
C62 | 0.033 (5) | 0.034 (5) | 0.041 (5) | −0.004 (4) | 0.005 (4) | 0.003 (4) |
C63 | 0.050 (6) | 0.026 (5) | 0.035 (5) | −0.005 (4) | −0.003 (4) | 0.001 (4) |
C64 | 0.043 (5) | 0.040 (5) | 0.038 (5) | −0.011 (4) | −0.010 (4) | 0.011 (4) |
Co1—O2 | 2.036 (6) | C16—C17 | 1.428 (14) |
Co1—O6 | 2.031 (6) | C17—C19 | 1.416 (14) |
Co1—O13 | 2.132 (6) | C17—C21 | 1.444 (13) |
Co1—O14 | 2.222 (5) | C18—H18 | 0.9500 |
Co1—O15 | 2.201 (6) | C18—C19 | 1.381 (15) |
Co1—O16 | 2.123 (6) | C18—C20 | 1.393 (16) |
Co2—O5 | 1.945 (7) | C19—H19 | 0.9500 |
Co2—O6 | 1.969 (6) | C21—H21 | 0.9500 |
Co2—O7 | 1.991 (6) | C22—H22A | 0.9900 |
Co2—O15 | 2.191 (6) | C22—H22B | 0.9900 |
Co2—N3 | 2.021 (8) | C22—C23 | 1.482 (14) |
Co3—O7 | 1.890 (7) | C23—C24 | 1.399 (14) |
Co3—O8 | 1.898 (6) | C23—C28 | 1.422 (13) |
Co3—O9 | 1.910 (7) | C24—H24 | 0.9500 |
Co3—O13 | 1.925 (6) | C24—C25 | 1.372 (14) |
Co3—O15 | 1.907 (6) | C25—H25 | 0.9500 |
Co3—N4 | 1.923 (8) | C25—C26 | 1.365 (15) |
Co4—O4 | 2.111 (6) | C26—H26 | 0.9500 |
Co4—O8 | 2.097 (6) | C26—C27 | 1.408 (13) |
Co4—O10 | 2.057 (7) | C27—H27 | 0.9500 |
Co4—O11 | 2.039 (7) | C27—C28 | 1.396 (13) |
Co4—O13 | 2.070 (6) | C29—H29 | 0.9500 |
Co4—O16 | 2.083 (6) | C29—C30 | 1.378 (14) |
Co5—O3 | 1.874 (7) | C29—C34 | 1.397 (13) |
Co5—O4 | 1.897 (6) | C30—H30 | 0.9500 |
Co5—O12 | 1.902 (7) | C30—C31 | 1.362 (15) |
Co5—O14 | 1.909 (6) | C31—H31 | 0.9500 |
Co5—O16 | 1.921 (6) | C31—C32 | 1.394 (15) |
Co5—N2 | 1.924 (8) | C32—H32 | 0.9500 |
Co6—O1 | 1.937 (6) | C32—C33 | 1.376 (13) |
Co6—O2 | 1.989 (6) | C33—C34 | 1.399 (13) |
Co6—O3 | 2.000 (7) | C33—C35 | 1.511 (13) |
Co6—O14 | 2.156 (6) | C35—H35A | 0.9900 |
Co6—N1 | 2.012 (8) | C35—H35B | 0.9900 |
Cl1—C2 | 1.731 (12) | C36—H36 | 0.9500 |
Cl2—C54 | 1.727 (11) | C36—C37 | 1.433 (14) |
Cl3—C40 | 1.738 (11) | C37—C38 | 1.404 (13) |
Cl4—C20 | 1.734 (11) | C37—C42 | 1.425 (14) |
O1—C16 | 1.324 (11) | C38—H38 | 0.9500 |
O2—C28 | 1.367 (10) | C38—C39 | 1.362 (15) |
O3—C14 | 1.380 (11) | C39—H39 | 0.9500 |
O4—C6 | 1.322 (11) | C39—C40 | 1.394 (16) |
O5—C42 | 1.311 (11) | C40—C41 | 1.366 (15) |
O6—C34 | 1.373 (10) | C41—H41 | 0.9500 |
O7—C44 | 1.364 (10) | C41—C42 | 1.410 (13) |
O8—C56 | 1.336 (11) | C43—H43 | 0.9500 |
O9—C57 | 1.265 (12) | C43—C44 | 1.400 (14) |
O10—C57 | 1.264 (13) | C43—C45 | 1.414 (14) |
O11—C59 | 1.268 (13) | C44—C48 | 1.369 (13) |
O12—C59 | 1.265 (14) | C45—H45 | 0.9500 |
O13—C61 | 1.417 (11) | C45—C46 | 1.381 (17) |
O14—C62 | 1.432 (10) | C46—H46 | 0.9500 |
O15—C64 | 1.447 (11) | C46—C47 | 1.387 (17) |
O16—C63 | 1.428 (11) | C47—H47 | 0.9500 |
N1—C21 | 1.290 (12) | C47—C48 | 1.405 (14) |
N1—C22 | 1.462 (12) | C48—C49 | 1.493 (15) |
N2—C7 | 1.274 (12) | C49—H49A | 0.9900 |
N2—C8 | 1.500 (12) | C49—H49B | 0.9900 |
N3—C35 | 1.473 (12) | C50—H50 | 0.9500 |
N3—C36 | 1.294 (11) | C50—C51 | 1.407 (14) |
N4—C49 | 1.469 (12) | C51—C52 | 1.420 (14) |
N4—C50 | 1.304 (13) | C51—C56 | 1.403 (13) |
C1—H1 | 0.9500 | C52—H52 | 0.9500 |
C1—C2 | 1.363 (15) | C52—C53 | 1.361 (15) |
C1—C6 | 1.426 (14) | C53—H53 | 0.9500 |
C2—C3 | 1.407 (16) | C53—C54 | 1.408 (15) |
C3—H3 | 0.9500 | C54—C55 | 1.364 (14) |
C3—C4 | 1.352 (16) | C55—H55 | 0.9500 |
C4—H4 | 0.9500 | C55—C56 | 1.424 (14) |
C4—C5 | 1.393 (14) | C57—C58 | 1.509 (16) |
C5—C6 | 1.411 (14) | C58—H58A | 0.9800 |
C5—C7 | 1.431 (14) | C58—H58B | 0.9800 |
C7—H7 | 0.9500 | C58—H58C | 0.9800 |
C8—H8A | 0.9900 | C59—C60 | 1.507 (19) |
C8—H8B | 0.9900 | C60—H60A | 0.9800 |
C8—C9 | 1.490 (14) | C60—H60B | 0.9800 |
C9—C10 | 1.375 (14) | C60—H60C | 0.9800 |
C9—C14 | 1.377 (13) | C61—H61A | 0.9800 |
C10—H10 | 0.9500 | C61—H61B | 0.9800 |
C10—C11 | 1.385 (16) | C61—H61C | 0.9800 |
C11—H11 | 0.9500 | C62—H62A | 0.9800 |
C11—C12 | 1.428 (16) | C62—H62B | 0.9800 |
C12—H12 | 0.9500 | C62—H62C | 0.9800 |
C12—C13 | 1.388 (14) | C63—H63A | 0.9800 |
C13—H13 | 0.9500 | C63—H63B | 0.9800 |
C13—C14 | 1.417 (14) | C63—H63C | 0.9800 |
C15—H15 | 0.9500 | C64—H64A | 0.9800 |
C15—C16 | 1.396 (14) | C64—H64B | 0.9800 |
C15—C20 | 1.354 (14) | C64—H64C | 0.9800 |
O2—Co1—O13 | 170.5 (2) | C14—C13—H13 | 121.2 |
O2—Co1—O14 | 79.2 (2) | O3—C14—C13 | 119.9 (9) |
O2—Co1—O15 | 106.6 (2) | C9—C14—O3 | 117.8 (9) |
O2—Co1—O16 | 91.9 (2) | C9—C14—C13 | 122.3 (9) |
O6—Co1—O2 | 97.8 (3) | C16—C15—H15 | 118.3 |
O6—Co1—O13 | 90.8 (2) | C20—C15—H15 | 118.3 |
O6—Co1—O14 | 106.3 (2) | C20—C15—C16 | 123.4 (10) |
O6—Co1—O15 | 79.6 (2) | O1—C16—C15 | 119.8 (9) |
O6—Co1—O16 | 169.5 (3) | O1—C16—C17 | 123.6 (8) |
O13—Co1—O14 | 102.1 (2) | C15—C16—C17 | 116.6 (9) |
O13—Co1—O15 | 71.1 (2) | C16—C17—C21 | 125.0 (8) |
O15—Co1—O14 | 171.3 (2) | C19—C17—C16 | 119.0 (9) |
O16—Co1—O13 | 79.8 (2) | C19—C17—C21 | 116.0 (9) |
O16—Co1—O14 | 71.5 (2) | C19—C18—H18 | 121.1 |
O16—Co1—O15 | 101.4 (2) | C19—C18—C20 | 117.8 (10) |
O5—Co2—O6 | 131.1 (3) | C20—C18—H18 | 121.1 |
O5—Co2—O7 | 119.4 (3) | C17—C19—H19 | 119.0 |
O5—Co2—O15 | 98.7 (3) | C18—C19—C17 | 122.1 (11) |
O5—Co2—N3 | 92.7 (3) | C18—C19—H19 | 119.0 |
O6—Co2—O7 | 108.0 (3) | C15—C20—Cl4 | 120.3 (9) |
O6—Co2—O15 | 81.2 (2) | C15—C20—C18 | 121.1 (10) |
O6—Co2—N3 | 90.6 (3) | C18—C20—Cl4 | 118.6 (8) |
O7—Co2—O15 | 75.5 (2) | N1—C21—C17 | 125.1 (9) |
O7—Co2—N3 | 99.8 (3) | N1—C21—H21 | 117.4 |
N3—Co2—O15 | 168.6 (3) | C17—C21—H21 | 117.4 |
O7—Co3—O8 | 173.8 (3) | N1—C22—H22A | 109.8 |
O7—Co3—O9 | 91.8 (3) | N1—C22—H22B | 109.8 |
O7—Co3—O13 | 88.2 (3) | N1—C22—C23 | 109.3 (8) |
O7—Co3—O15 | 84.9 (3) | H22A—C22—H22B | 108.3 |
O7—Co3—N4 | 91.9 (3) | C23—C22—H22A | 109.8 |
O8—Co3—O9 | 90.1 (3) | C23—C22—H22B | 109.8 |
O8—Co3—O13 | 85.7 (3) | C24—C23—C22 | 121.7 (9) |
O8—Co3—O15 | 92.7 (3) | C24—C23—C28 | 117.1 (9) |
O8—Co3—N4 | 94.0 (3) | C28—C23—C22 | 121.2 (9) |
O9—Co3—O13 | 93.4 (3) | C23—C24—H24 | 118.7 |
O9—Co3—N4 | 88.0 (3) | C25—C24—C23 | 122.5 (10) |
O15—Co3—O9 | 174.6 (3) | C25—C24—H24 | 118.7 |
O15—Co3—O13 | 82.2 (2) | C24—C25—H25 | 119.8 |
O15—Co3—N4 | 96.4 (3) | C26—C25—C24 | 120.3 (9) |
N4—Co3—O13 | 178.6 (3) | C26—C25—H25 | 119.8 |
O8—Co4—O4 | 160.1 (2) | C25—C26—H26 | 120.1 |
O10—Co4—O4 | 107.4 (3) | C25—C26—C27 | 119.8 (10) |
O10—Co4—O8 | 86.6 (3) | C27—C26—H26 | 120.1 |
O10—Co4—O13 | 89.9 (3) | C26—C27—H27 | 120.0 |
O10—Co4—O16 | 170.9 (3) | C28—C27—C26 | 120.1 (10) |
O11—Co4—O4 | 85.6 (3) | C28—C27—H27 | 120.0 |
O11—Co4—O8 | 107.3 (3) | O2—C28—C23 | 119.9 (8) |
O11—Co4—O10 | 96.3 (3) | O2—C28—C27 | 120.1 (8) |
O11—Co4—O13 | 172.5 (3) | C27—C28—C23 | 120.0 (9) |
O11—Co4—O16 | 91.9 (3) | C30—C29—H29 | 119.5 |
O13—Co4—O4 | 88.5 (2) | C30—C29—C34 | 121.0 (10) |
O13—Co4—O8 | 77.2 (2) | C34—C29—H29 | 119.5 |
O13—Co4—O16 | 82.2 (2) | C29—C30—H30 | 120.7 |
O16—Co4—O4 | 77.0 (2) | C31—C30—C29 | 118.7 (10) |
O16—Co4—O8 | 87.2 (3) | C31—C30—H30 | 120.7 |
O3—Co5—O4 | 173.4 (3) | C30—C31—H31 | 119.5 |
O3—Co5—O12 | 92.8 (3) | C30—C31—C32 | 120.9 (10) |
O3—Co5—O14 | 85.2 (3) | C32—C31—H31 | 119.5 |
O3—Co5—O16 | 87.9 (3) | C31—C32—H32 | 119.3 |
O3—Co5—N2 | 91.6 (3) | C33—C32—C31 | 121.4 (9) |
O4—Co5—O12 | 90.5 (3) | C33—C32—H32 | 119.3 |
O4—Co5—O14 | 91.1 (3) | C32—C33—C34 | 117.6 (8) |
O4—Co5—O16 | 86.3 (3) | C32—C33—C35 | 119.6 (9) |
O4—Co5—N2 | 94.2 (3) | C34—C33—C35 | 122.8 (8) |
O12—Co5—O14 | 176.1 (3) | O6—C34—C29 | 119.7 (8) |
O12—Co5—O16 | 93.4 (3) | O6—C34—C33 | 120.2 (8) |
O12—Co5—N2 | 86.2 (3) | C29—C34—C33 | 120.1 (8) |
O14—Co5—O16 | 83.1 (2) | N3—C35—C33 | 108.4 (8) |
O14—Co5—N2 | 97.2 (3) | N3—C35—H35A | 110.0 |
O16—Co5—N2 | 179.4 (3) | N3—C35—H35B | 110.0 |
O1—Co6—O2 | 134.7 (3) | C33—C35—H35A | 110.0 |
O1—Co6—O3 | 118.0 (3) | C33—C35—H35B | 110.0 |
O1—Co6—O14 | 95.6 (2) | H35A—C35—H35B | 108.4 |
O1—Co6—N1 | 93.1 (3) | N3—C36—H36 | 117.2 |
O2—Co6—O3 | 105.3 (3) | N3—C36—C37 | 125.5 (9) |
O2—Co6—O14 | 81.9 (2) | C37—C36—H36 | 117.2 |
O2—Co6—N1 | 90.6 (3) | C38—C37—C36 | 116.9 (9) |
O3—Co6—O14 | 76.0 (2) | C38—C37—C42 | 119.0 (9) |
O3—Co6—N1 | 101.5 (3) | C42—C37—C36 | 124.0 (8) |
N1—Co6—O14 | 171.1 (3) | C37—C38—H38 | 118.5 |
C16—O1—Co6 | 127.4 (6) | C39—C38—C37 | 122.9 (11) |
Co6—O2—Co1 | 104.8 (3) | C39—C38—H38 | 118.5 |
C28—O2—Co1 | 131.3 (5) | C38—C39—H39 | 121.1 |
C28—O2—Co6 | 123.2 (5) | C38—C39—C40 | 117.8 (10) |
Co5—O3—Co6 | 102.7 (3) | C40—C39—H39 | 121.1 |
C14—O3—Co5 | 117.8 (6) | C39—C40—Cl3 | 119.3 (9) |
C14—O3—Co6 | 129.8 (6) | C41—C40—Cl3 | 119.3 (10) |
Co5—O4—Co4 | 95.9 (3) | C41—C40—C39 | 121.4 (10) |
C6—O4—Co4 | 130.2 (6) | C40—C41—H41 | 119.1 |
C6—O4—Co5 | 127.2 (6) | C40—C41—C42 | 121.9 (10) |
C42—O5—Co2 | 126.4 (6) | C42—C41—H41 | 119.1 |
Co2—O6—Co1 | 105.5 (3) | O5—C42—C37 | 125.5 (9) |
C34—O6—Co1 | 129.8 (5) | O5—C42—C41 | 117.8 (9) |
C34—O6—Co2 | 124.7 (5) | C41—C42—C37 | 116.8 (9) |
Co3—O7—Co2 | 103.5 (3) | C44—C43—H43 | 120.2 |
C44—O7—Co2 | 127.8 (6) | C44—C43—C45 | 119.5 (10) |
C44—O7—Co3 | 118.3 (6) | C45—C43—H43 | 120.2 |
Co3—O8—Co4 | 96.3 (3) | O7—C44—C43 | 120.5 (9) |
C56—O8—Co3 | 127.6 (6) | O7—C44—C48 | 118.4 (9) |
C56—O8—Co4 | 130.9 (6) | C48—C44—C43 | 121.2 (9) |
C57—O9—Co3 | 128.6 (7) | C43—C45—H45 | 120.7 |
C57—O10—Co4 | 125.2 (7) | C46—C45—C43 | 118.6 (11) |
C59—O11—Co4 | 124.4 (7) | C46—C45—H45 | 120.7 |
C59—O12—Co5 | 127.7 (7) | C45—C46—H46 | 119.3 |
Co3—O13—Co1 | 103.7 (3) | C45—C46—C47 | 121.5 (10) |
Co3—O13—Co4 | 96.3 (3) | C47—C46—H46 | 119.3 |
Co4—O13—Co1 | 99.1 (2) | C46—C47—H47 | 120.1 |
C61—O13—Co1 | 117.1 (5) | C46—C47—C48 | 119.8 (11) |
C61—O13—Co3 | 119.2 (5) | C48—C47—H47 | 120.1 |
C61—O13—Co4 | 117.6 (5) | C44—C48—C47 | 119.3 (10) |
Co5—O14—Co1 | 100.6 (2) | C44—C48—C49 | 118.1 (8) |
Co5—O14—Co6 | 96.1 (2) | C47—C48—C49 | 122.5 (10) |
Co6—O14—Co1 | 93.5 (2) | N4—C49—C48 | 112.3 (8) |
C62—O14—Co1 | 123.3 (5) | N4—C49—H49A | 109.1 |
C62—O14—Co5 | 117.1 (5) | N4—C49—H49B | 109.1 |
C62—O14—Co6 | 120.7 (5) | C48—C49—H49A | 109.1 |
Co2—O15—Co1 | 93.0 (2) | C48—C49—H49B | 109.1 |
Co3—O15—Co1 | 101.8 (3) | H49A—C49—H49B | 107.9 |
Co3—O15—Co2 | 95.9 (2) | N4—C50—H50 | 117.1 |
C64—O15—Co1 | 121.5 (5) | N4—C50—C51 | 125.8 (9) |
C64—O15—Co2 | 120.3 (6) | C51—C50—H50 | 117.1 |
C64—O15—Co3 | 118.6 (5) | C50—C51—C52 | 116.6 (8) |
Co4—O16—Co1 | 99.0 (2) | C56—C51—C50 | 125.4 (9) |
Co5—O16—Co1 | 103.8 (3) | C56—C51—C52 | 118.1 (9) |
Co5—O16—Co4 | 96.1 (3) | C51—C52—H52 | 118.7 |
C63—O16—Co1 | 117.3 (5) | C53—C52—C51 | 122.6 (10) |
C63—O16—Co4 | 118.0 (5) | C53—C52—H52 | 118.7 |
C63—O16—Co5 | 118.9 (5) | C52—C53—H53 | 121.0 |
C21—N1—Co6 | 125.1 (7) | C52—C53—C54 | 117.9 (10) |
C21—N1—C22 | 119.9 (8) | C54—C53—H53 | 121.0 |
C22—N1—Co6 | 114.6 (6) | C53—C54—Cl2 | 119.3 (9) |
C7—N2—Co5 | 125.1 (7) | C55—C54—Cl2 | 118.2 (8) |
C7—N2—C8 | 117.6 (8) | C55—C54—C53 | 122.4 (10) |
C8—N2—Co5 | 117.1 (6) | C54—C55—H55 | 120.3 |
C35—N3—Co2 | 115.0 (6) | C54—C55—C56 | 119.3 (9) |
C36—N3—Co2 | 124.7 (7) | C56—C55—H55 | 120.3 |
C36—N3—C35 | 120.2 (8) | O8—C56—C51 | 121.9 (9) |
C49—N4—Co3 | 117.3 (6) | O8—C56—C55 | 118.4 (8) |
C50—N4—Co3 | 124.8 (7) | C51—C56—C55 | 119.7 (9) |
C50—N4—C49 | 117.9 (8) | O9—C57—C58 | 115.4 (11) |
C2—C1—H1 | 120.6 | O10—C57—O9 | 126.9 (10) |
C2—C1—C6 | 118.7 (9) | O10—C57—C58 | 117.7 (10) |
C6—C1—H1 | 120.6 | C57—C58—H58A | 109.5 |
C1—C2—Cl1 | 117.2 (9) | C57—C58—H58B | 109.5 |
C1—C2—C3 | 122.8 (11) | C57—C58—H58C | 109.5 |
C3—C2—Cl1 | 120.0 (8) | H58A—C58—H58B | 109.5 |
C2—C3—H3 | 121.2 | H58A—C58—H58C | 109.5 |
C4—C3—C2 | 117.6 (10) | H58B—C58—H58C | 109.5 |
C4—C3—H3 | 121.2 | O11—C59—C60 | 116.9 (12) |
C3—C4—H4 | 118.5 | O12—C59—O11 | 127.9 (10) |
C3—C4—C5 | 123.0 (10) | O12—C59—C60 | 115.1 (11) |
C5—C4—H4 | 118.5 | C59—C60—H60A | 109.5 |
C4—C5—C6 | 118.7 (9) | C59—C60—H60B | 109.5 |
C4—C5—C7 | 117.1 (9) | C59—C60—H60C | 109.5 |
C6—C5—C7 | 124.2 (9) | H60A—C60—H60B | 109.5 |
O4—C6—C1 | 118.4 (9) | H60A—C60—H60C | 109.5 |
O4—C6—C5 | 122.6 (9) | H60B—C60—H60C | 109.5 |
C5—C6—C1 | 119.0 (8) | O13—C61—H61A | 109.5 |
N2—C7—C5 | 126.0 (9) | O13—C61—H61B | 109.5 |
N2—C7—H7 | 117.0 | O13—C61—H61C | 109.5 |
C5—C7—H7 | 117.0 | H61A—C61—H61B | 109.5 |
N2—C8—H8A | 109.2 | H61A—C61—H61C | 109.5 |
N2—C8—H8B | 109.2 | H61B—C61—H61C | 109.5 |
H8A—C8—H8B | 107.9 | O14—C62—H62A | 109.5 |
C9—C8—N2 | 111.9 (8) | O14—C62—H62B | 109.5 |
C9—C8—H8A | 109.2 | O14—C62—H62C | 109.5 |
C9—C8—H8B | 109.2 | H62A—C62—H62B | 109.5 |
C10—C9—C8 | 123.0 (9) | H62A—C62—H62C | 109.5 |
C10—C9—C14 | 119.2 (10) | H62B—C62—H62C | 109.5 |
C14—C9—C8 | 117.7 (8) | O16—C63—H63A | 109.5 |
C9—C10—H10 | 119.4 | O16—C63—H63B | 109.5 |
C9—C10—C11 | 121.3 (10) | O16—C63—H63C | 109.5 |
C11—C10—H10 | 119.4 | H63A—C63—H63B | 109.5 |
C10—C11—H11 | 120.4 | H63A—C63—H63C | 109.5 |
C10—C11—C12 | 119.2 (10) | H63B—C63—H63C | 109.5 |
C12—C11—H11 | 120.4 | O15—C64—H64A | 109.5 |
C11—C12—H12 | 119.8 | O15—C64—H64B | 109.5 |
C13—C12—C11 | 120.4 (11) | O15—C64—H64C | 109.5 |
C13—C12—H12 | 119.8 | H64A—C64—H64B | 109.5 |
C12—C13—H13 | 121.2 | H64A—C64—H64C | 109.5 |
C12—C13—C14 | 117.6 (10) | H64B—C64—H64C | 109.5 |
Co1—O2—C28—C23 | 150.5 (7) | C4—C5—C6—C1 | 1.2 (15) |
Co1—O2—C28—C27 | −30.5 (12) | C4—C5—C7—N2 | −179.6 (10) |
Co1—O6—C34—C29 | −36.0 (12) | C6—C1—C2—Cl1 | −174.2 (9) |
Co1—O6—C34—C33 | 143.4 (7) | C6—C1—C2—C3 | 3.1 (19) |
Co2—O5—C42—C37 | −2.7 (13) | C6—C5—C7—N2 | 1.8 (17) |
Co2—O5—C42—C41 | 177.4 (7) | C7—N2—C8—C9 | −127.1 (9) |
Co2—O6—C34—C29 | 142.0 (7) | C7—C5—C6—O4 | −1.1 (16) |
Co2—O6—C34—C33 | −38.6 (11) | C7—C5—C6—C1 | 179.8 (10) |
Co2—O7—C44—C43 | 94.2 (10) | C8—N2—C7—C5 | 179.8 (9) |
Co2—O7—C44—C48 | −86.5 (10) | C8—C9—C10—C11 | 177.2 (10) |
Co2—N3—C35—C33 | −67.2 (9) | C8—C9—C14—O3 | 4.3 (14) |
Co2—N3—C36—C37 | 4.8 (14) | C8—C9—C14—C13 | −177.7 (10) |
Co3—O7—C44—C43 | −126.8 (8) | C9—C10—C11—C12 | 0.6 (17) |
Co3—O7—C44—C48 | 52.4 (10) | C10—C9—C14—O3 | −176.6 (9) |
Co3—O8—C56—C51 | −7.8 (13) | C10—C9—C14—C13 | 1.5 (16) |
Co3—O8—C56—C55 | 174.7 (7) | C10—C11—C12—C13 | 1.3 (17) |
Co3—O9—C57—O10 | −1.9 (19) | C11—C12—C13—C14 | −1.8 (17) |
Co3—O9—C57—C58 | 178.5 (11) | C12—C13—C14—O3 | 178.4 (10) |
Co3—N4—C49—C48 | 49.1 (10) | C12—C13—C14—C9 | 0.4 (16) |
Co3—N4—C50—C51 | 3.2 (14) | C14—C9—C10—C11 | −2.0 (16) |
Co4—O4—C6—C1 | 28.7 (13) | C15—C16—C17—C19 | −1.9 (14) |
Co4—O4—C6—C5 | −150.4 (8) | C15—C16—C17—C21 | 175.5 (9) |
Co4—O8—C56—C51 | −156.0 (7) | C16—C15—C20—Cl4 | 180.0 (8) |
Co4—O8—C56—C55 | 26.5 (13) | C16—C15—C20—C18 | 0.8 (17) |
Co4—O10—C57—O9 | 2.0 (19) | C16—C17—C19—C18 | 0.6 (16) |
Co4—O10—C57—C58 | −178.4 (11) | C16—C17—C21—N1 | 6.9 (16) |
Co4—O11—C59—O12 | 7 (2) | C19—C17—C21—N1 | −175.6 (10) |
Co4—O11—C59—C60 | −177.1 (10) | C19—C18—C20—Cl4 | 178.7 (9) |
Co5—O3—C14—C9 | 55.1 (11) | C19—C18—C20—C15 | −2.1 (17) |
Co5—O3—C14—C13 | −123.0 (9) | C20—C15—C16—O1 | −178.6 (9) |
Co5—O4—C6—C1 | 172.9 (7) | C20—C15—C16—C17 | 1.3 (15) |
Co5—O4—C6—C5 | −6.2 (13) | C20—C18—C19—C17 | 1.4 (17) |
Co5—O12—C59—O11 | −12 (2) | C21—N1—C22—C23 | 104.6 (10) |
Co5—O12—C59—C60 | 172.4 (10) | C21—C17—C19—C18 | −177.0 (10) |
Co5—N2—C7—C5 | 4.8 (15) | C22—N1—C21—C17 | −172.7 (9) |
Co5—N2—C8—C9 | 48.4 (10) | C22—C23—C24—C25 | 176.7 (9) |
Co6—O1—C16—C15 | 175.9 (7) | C22—C23—C28—O2 | 4.2 (14) |
Co6—O1—C16—C17 | −4.0 (13) | C22—C23—C28—C27 | −174.8 (9) |
Co6—O2—C28—C23 | −41.1 (11) | C23—C24—C25—C26 | −0.8 (15) |
Co6—O2—C28—C27 | 137.9 (7) | C24—C23—C28—O2 | −177.7 (8) |
Co6—O3—C14—C9 | −84.4 (11) | C24—C23—C28—C27 | 3.3 (14) |
Co6—O3—C14—C13 | 97.5 (10) | C24—C25—C26—C27 | 1.2 (15) |
Co6—N1—C21—C17 | −0.4 (14) | C25—C26—C27—C28 | 0.7 (15) |
Co6—N1—C22—C23 | −68.5 (9) | C26—C27—C28—O2 | 178.0 (8) |
Cl1—C2—C3—C4 | 174.3 (10) | C26—C27—C28—C23 | −3.0 (14) |
Cl2—C54—C55—C56 | −179.0 (9) | C28—C23—C24—C25 | −1.5 (15) |
Cl3—C40—C41—C42 | −177.6 (8) | C29—C30—C31—C32 | 1.9 (17) |
O1—C16—C17—C19 | 178.0 (9) | C30—C29—C34—O6 | 173.2 (9) |
O1—C16—C17—C21 | −4.6 (15) | C30—C29—C34—C33 | −6.2 (14) |
O7—C44—C48—C47 | −177.3 (9) | C30—C31—C32—C33 | −1.6 (17) |
O7—C44—C48—C49 | 4.4 (13) | C31—C32—C33—C34 | −2.6 (15) |
O9—Co3—O7—Co2 | −172.2 (3) | C31—C32—C33—C35 | 178.6 (10) |
O9—Co3—O7—C44 | 40.1 (7) | C32—C33—C34—O6 | −173.0 (9) |
O9—Co3—O8—Co4 | 77.2 (3) | C32—C33—C34—C29 | 6.4 (14) |
O9—Co3—O8—C56 | −79.2 (8) | C32—C33—C35—N3 | −132.3 (9) |
O12—Co5—O3—Co6 | −175.3 (3) | C34—C29—C30—C31 | 2.0 (15) |
O12—Co5—O3—C14 | 35.4 (7) | C34—C33—C35—N3 | 49.0 (12) |
O12—Co5—O4—Co4 | 76.5 (3) | C35—N3—C36—C37 | −172.1 (9) |
O12—Co5—O4—C6 | −76.8 (7) | C35—C33—C34—O6 | 5.7 (14) |
O13—Co3—O7—Co2 | −78.8 (3) | C35—C33—C34—C29 | −174.9 (9) |
O13—Co3—O7—C44 | 133.4 (6) | C36—N3—C35—C33 | 109.9 (10) |
O13—Co3—O8—Co4 | −16.3 (3) | C36—C37—C38—C39 | −175.8 (10) |
O13—Co3—O8—C56 | −172.6 (8) | C36—C37—C42—O5 | −7.0 (15) |
O14—Co5—O3—Co6 | 1.3 (3) | C36—C37—C42—C41 | 172.9 (9) |
O14—Co5—O3—C14 | −148.0 (7) | C37—C38—C39—C40 | 2.8 (16) |
O14—Co5—O4—Co4 | −99.9 (2) | C38—C37—C42—O5 | 176.1 (9) |
O14—Co5—O4—C6 | 106.8 (7) | C38—C37—C42—C41 | −4.0 (13) |
O15—Co3—O7—Co2 | 3.5 (3) | C38—C39—C40—Cl3 | 174.8 (8) |
O15—Co3—O7—C44 | −144.3 (7) | C38—C39—C40—C41 | −4.2 (15) |
O15—Co3—O8—Co4 | −98.2 (3) | C39—C40—C41—C42 | 1.4 (16) |
O15—Co3—O8—C56 | 105.4 (8) | C40—C41—C42—O5 | −177.4 (9) |
O16—Co5—O3—Co6 | −82.0 (3) | C40—C41—C42—C37 | 2.7 (14) |
O16—Co5—O3—C14 | 128.8 (6) | C42—C37—C38—C39 | 1.4 (15) |
O16—Co5—O4—Co4 | −16.9 (2) | C43—C44—C48—C47 | 1.9 (15) |
O16—Co5—O4—C6 | −170.2 (7) | C43—C44—C48—C49 | −176.3 (9) |
N1—C22—C23—C24 | −125.0 (10) | C43—C45—C46—C47 | 2.4 (18) |
N1—C22—C23—C28 | 53.1 (12) | C44—C43—C45—C46 | −3.4 (17) |
N2—Co5—O3—Co6 | 98.4 (3) | C44—C48—C49—N4 | −57.7 (12) |
N2—Co5—O3—C14 | −50.9 (7) | C45—C43—C44—O7 | −179.5 (10) |
N2—Co5—O4—Co4 | 162.8 (3) | C45—C43—C44—C48 | 1.2 (15) |
N2—Co5—O4—C6 | 9.5 (8) | C45—C46—C47—C48 | 0.8 (18) |
N2—C8—C9—C10 | 123.2 (10) | C46—C47—C48—C44 | −3.0 (16) |
N2—C8—C9—C14 | −57.7 (12) | C46—C47—C48—C49 | 175.2 (10) |
N3—C36—C37—C38 | −177.4 (10) | C47—C48—C49—N4 | 124.2 (10) |
N3—C36—C37—C42 | 5.6 (16) | C49—N4—C50—C51 | −178.7 (9) |
N4—Co3—O7—Co2 | 99.8 (3) | C50—N4—C49—C48 | −129.2 (9) |
N4—Co3—O7—C44 | −48.0 (7) | C50—C51—C52—C53 | −179.8 (11) |
N4—Co3—O8—Co4 | 165.1 (3) | C50—C51—C56—O8 | 1.9 (15) |
N4—Co3—O8—C56 | 8.8 (8) | C50—C51—C56—C55 | 179.4 (10) |
N4—C50—C51—C52 | 179.8 (10) | C51—C52—C53—C54 | −0.3 (18) |
N4—C50—C51—C56 | 0.4 (16) | C52—C51—C56—O8 | −177.5 (9) |
C1—C2—C3—C4 | −3 (2) | C52—C51—C56—C55 | −0.1 (15) |
C2—C1—C6—O4 | 178.7 (11) | C52—C53—C54—Cl2 | 178.6 (10) |
C2—C1—C6—C5 | −2.1 (16) | C52—C53—C54—C55 | 1.2 (19) |
C2—C3—C4—C5 | 1.9 (19) | C53—C54—C55—C56 | −1.6 (19) |
C3—C4—C5—C6 | −1.1 (17) | C54—C55—C56—O8 | 178.5 (10) |
C3—C4—C5—C7 | −179.8 (11) | C54—C55—C56—C51 | 1.0 (16) |
C4—C5—C6—O4 | −179.7 (9) | C56—C51—C52—C53 | −0.3 (16) |
Funding information
Funding for this research was provided by: Natural Science Foundation of Shaanxi Province (grant Nos. 2022JZ-49 and 2022NY-071); Innovation and Entrepreneurship Training Program of College Students of Shaanxi Province (grant No. S202210719111); Natural Science Foundation of Yulin (grant No. CXY-2020-065).
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