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Cations and anions in [Pt(C10H8N2)(C5H6N2)2][Pt(C2O4)2].2H2O stack alternately along the a axis, giving a one-dimensional chain of the Magnus's green salt type. Intrachain π–π-stacking interactions are achieved between the oxalate and the 2,2′-bi­pyridine moieties, where the plane-to-plane separations are 3.41 (7) and 3.46 (1) Å. Two different Pt...Pt distances [3.9294 (6) and 5.0302 (7) Å] alternate along the chain.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803015770/dn6085sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803015770/dn6085Isup2.hkl
Contains datablock I

CCDC reference: 221645

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.015 Å
  • H-atom completeness 84%
  • R factor = 0.041
  • wR factor = 0.072
  • Data-to-parameter ratio = 14.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_369 Alert C Long C(sp2)-C(sp2) Bond C21 - C22 = 1.54 Ang. PLAT_369 Alert C Long C(sp2)-C(sp2) Bond C23 - C24 = 1.55 Ang. General Notes
FORMU_01 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:C24 H24 N6 O10 Pt2 Atom count from the _atom_site data: C24 H20 N6 O10 Pt2 CELLZ_01 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C24 H24 N6 O10 Pt2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 48.00 48.00 0.00 H 48.00 40.00 8.00 N 12.00 12.00 0.00 O 20.00 20.00 0.00 Pt 4.00 4.00 0.00 Difference between formula and atom_site contents detected. WARNING: H atoms missing from atom site list. Is this intentional?
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
2 Alert Level C = Please check

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: KENX (Sakai, 2002); software used to prepare material for publication: SHELXL97, TEXSAN (Molecular Structure Corporation, 2001), KENX and ORTEP (Johnson, 1976).

Bis(2-aminopyridine)(2,2'-bipyridine)platinum(II) bis(oxalato)platinate(II) dihydrate top
Crystal data top
[Pt(C10H8N2)(C5H6N2)2][Pt(C2O4)2]·2H2OZ = 2
Mr = 946.67F(000) = 892
Triclinic, P1? # Insert any comments here.
Hall symbol: -P 1Dx = 2.272 Mg m3
a = 7.4507 (8) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.3998 (13) ÅCell parameters from 3079 reflections
c = 15.5348 (17) Åθ = 2.7–26.4°
α = 93.227 (2)°µ = 10.16 mm1
β = 98.602 (2)°T = 296 K
γ = 101.703 (2)°Prism, pale yellow
V = 1384.0 (3) Å30.5 × 0.07 × 0.05 mm
Data collection top
Bruker SMART APEX CCD-detector
diffractometer
5485 independent reflections
Radiation source: fine-focus sealed tube3605 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.039
Detector resolution: 8.366 pixels mm-1θmax = 26.4°, θmin = 2.7°
ω scansh = 99
Absorption correction: gaussian
(XPREP in SAINT; Bruker, 2001)
k = 1015
Tmin = 0.153, Tmax = 0.602l = 1917
7744 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.041Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072H-atom parameters constrained
S = 0.85 w = 1/[σ2(Fo2) + (0.0191P)2]
where P = (Fo2 + 2Fc2)/3
5485 reflections(Δ/σ)max = 0.001
379 parametersΔρmax = 1.61 e Å3
0 restraintsΔρmin = 0.74 e Å3
Special details top

Experimental. The first 50 frames were rescanned at the end of data collection to evaluate any possible decay phenomenon. Since it was judged to be negligible, no decay correction was applied to the data.

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.

Mean-plane data from final SHELXL refinement run:-

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

- 6.9012 (0.0063) x + 6.7430 (0.0235) y + 3.1785 (0.0403) z = 4.9611 (0.0221)

* -0.0016 (0.0032) O1 * 0.0017 (0.0033) O2 * 0.0016 (0.0032) O5 * -0.0017 (0.0033) O6 - 3.4944 (0.0056) Pt1 - 0.0123 (0.0031) Pt2

Rms deviation of fitted atoms = 0.0017

- 6.6179 (0.0100) x + 7.2611 (0.0281) y + 4.5410 (0.0385) z = 2.3586 (0.0277)

Angle to previous plane (with approximate e.s.d.) = 6.75 (0.27)

* 0.0629 (0.0039) N1 * -0.0627 (0.0039) N2 * -0.0579 (0.0036) N3 * 0.0577 (0.0036) N5 0.0310 (0.0037) Pt1 3.3790 (0.0054) Pt2

Rms deviation of fitted atoms = 0.0604

- 6.8052 (0.0032) x + 6.9320 (0.0147) y + 3.7640 (0.0342) z = 1.8601 (0.0114)

Angle to previous plane (with approximate e.s.d.) = 4.05 (0.24)

* -0.0240 (0.0062) N1 * 0.0035 (0.0063) N2 * -0.0122 (0.0072) C1 * -0.0021 (0.0077) C2 * 0.0237 (0.0082) C3 * 0.0273 (0.0085) C4 * -0.0137 (0.0080) C5 * -0.0055 (0.0078) C6 * -0.0143 (0.0085) C7 * -0.0309 (0.0085) C8 * 0.0143 (0.0082) C9 * 0.0339 (0.0073) C10

Rms deviation of fitted atoms = 0.0200

- 6.8250 (0.0104) x + 6.7912 (0.0339) y + 4.0062 (0.0523) z = 1.7482 (0.0404)

Angle to previous plane (with approximate e.s.d.) = 1.09 (0.26)

* 0.0007 (0.0057) N1 * 0.0071 (0.0063) C1 * -0.0071 (0.0065) C2 * -0.0004 (0.0071) C3 * 0.0080 (0.0071) C4 * -0.0083 (0.0060) C5

Rms deviation of fitted atoms = 0.0063

- 6.7843 (0.0110) x + 7.0649 (0.0373) y + 3.5249 (0.0516) z = 1.9447 (0.0290)

Angle to previous plane (with approximate e.s.d.) = 2.15 (0.36)

* -0.0129 (0.0057) N2 * 0.0031 (0.0059) C6 * 0.0108 (0.0069) C7 * -0.0152 (0.0075) C8 * 0.0053 (0.0070) C9 * 0.0090 (0.0064) C10

Rms deviation of fitted atoms = 0.0103

1.7854 (0.0193) x + 10.8203 (0.0183) y - 5.5182 (0.0531) z = 7.8308 (0.0331)

Angle to previous plane (with approximate e.s.d.) = 83.04 (0.23)

* -0.0083 (0.0064) N3 * 0.0092 (0.0056) N4 * -0.0154 (0.0079) C11 * 0.0162 (0.0075) C12 * -0.0199 (0.0079) C13 * 0.0129 (0.0084) C14 * 0.0053 (0.0070) C15

Rms deviation of fitted atoms = 0.0133

- 6.6179 (0.0100) x + 7.2611 (0.0281) y + 4.5410 (0.0385) z = 2.3586 (0.0277)

Angle to previous plane (with approximate e.s.d.) = 82.59 (1/5)

* 0.0629 (0.0039) N1 * -0.0627 (0.0039) N2 * -0.0579 (0.0036) N3 * 0.0577 (0.0036) N5

Rms deviation of fitted atoms = 0.0604

2.2899 (0.0193) x + 3.8977 (0.0417) y + 12.0728 (0.0283) z = 7.3347 (0.0122)

Angle to previous plane (with approximate e.s.d.) = 86.58 (0.21)

* 0.0356 (0.0062) N5 * -0.0176 (0.0061) N6 * -0.0036 (0.0083) C16 * 0.0055 (0.0078) C17 * 0.0118 (0.0077) C18 * -0.0147 (0.0076) C19 * -0.0169 (0.0066) C20

Rms deviation of fitted atoms = 0.0180

1.7543 (0.0295) x + 10.8421 (0.0246) y - 5.5174 (0.0532) z = 7.8193 (0.0333)

Angle to previous plane (with approximate e.s.d.) = 76.97 (0.28)

* -0.0036 (0.0061) N3 * -0.0079 (0.0063) C11 * 0.0206 (0.0069) C12 * -0.0213 (0.0079) C13 * 0.0085 (0.0079) C14 * 0.0038 (0.0071) C15

Rms deviation of fitted atoms = 0.0132

- 6.6179 (0.0100) x + 7.2611 (0.0281) y + 4.5410 (0.0385) z = 2.3586 (0.0277)

Angle to previous plane (with approximate e.s.d.) = 82.36 (1/4)

* 0.0629 (0.0039) N1 * -0.0627 (0.0039) N2 * -0.0579 (0.0036) N3 * 0.0577 (0.0036) N5

Rms deviation of fitted atoms = 0.0604

2.2308 (0.0297) x + 3.9132 (0.0427) y + 12.1364 (0.0349) z = 7.3430 (0.0128)

Angle to previous plane (with approximate e.s.d.) = 86.15 (0.26)

* 0.0265 (0.0059) N5 * -0.0181 (0.0062) C16 * -0.0029 (0.0072) C17 * 0.0147 (0.0075) C18 * -0.0060 (0.0070) C19 * -0.0143 (0.0066) C20

Rms deviation of fitted atoms = 0.0158

- 6.9012 (0.0063) x + 6.7430 (0.0235) y + 3.1785 (0.0403) z = 4.9611 (0.0221)

Angle to previous plane (with approximate e.s.d.) = 87.10 (0.27)

* -0.0016 (0.0032) O1 * 0.0017 (0.0033) O2 * 0.0016 (0.0032) O5 * -0.0017 (0.0033) O6 - 3.4944 (0.0056) Pt1 - 0.0123 (0.0031) Pt2

Rms deviation of fitted atoms = 0.0017

- 6.8052 (0.0032) x + 6.9320 (0.0147) y + 3.7640 (0.0342) z = 1.8601 (0.0114)

Angle to previous plane (with approximate e.s.d.) = 2.72 (0.18)

* -0.0240 (0.0062) N1 * 0.0035 (0.0063) N2 * -0.0122 (0.0072) C1 * -0.0021 (0.0077) C2 * 0.0237 (0.0082) C3 * 0.0273 (0.0085) C4 * -0.0137 (0.0080) C5 * -0.0055 (0.0078) C6 * -0.0143 (0.0085) C7 * -0.0309 (0.0085) C8 * 0.0143 (0.0082) C9 * 0.0339 (0.0073) C10

Rms deviation of fitted atoms = 0.0200

- 6.8602 (0.0025) x + 6.8291 (0.0114) y + 3.4425 (0.0252) z = 5.1613 (0.0084)

Angle to previous plane (with approximate e.s.d.) = 1.50 (0.12)

* -0.0761 (0.0018) Pt2 * -0.0228 (0.0064) O1 * -0.0527 (0.0062) O2 * 0.0257 (0.0069) O3 * 0.0992 (0.0067) O4 * -0.0725 (0.0058) O5 * -0.1073 (0.0066) O6 * 0.0887 (0.0063) O7 * 0.0729 (0.0064) O8 * 0.0087 (0.0095) C21 * 0.0104 (0.0089) C22 * 0.0170 (0.0080) C23 * 0.0088 (0.0086) C24

Rms deviation of fitted atoms = 0.0621

2.2984 (0.0675) x + 4.1738 (0.1746) y + 11.8712 (0.1911) z = 7.3865 (0.0269)

Angle to previous plane (with approximate e.s.d.) = 88.25 (0.58)

* 0.0000 (0.0001) C17 * 0.0000 (0.0001) C18 * 0.0000 (0.0000) C19 3.5704 (0.0172) C17_$22 3.5704 (0.0171) C18_$22 3.5704 (0.0171) C19_$22

Rms deviation of fitted atoms = 0.0000

- 6.8775 (0.0029) x + 6.7244 (0.0147) y + 3.6098 (0.0374) z = 5.0859 (0.0109)

Angle to previous plane (with approximate e.s.d.) = 88.47 (0.59)

* 0.0755 (0.0063) O8 * 0.0154 (0.0084) C24 * 0.0439 (0.0069) C23 * -0.0428 (0.0057) O5 * -0.1115 (0.0067) O6 * -0.0680 (0.0062) O2 * -0.0024 (0.0088) C22 * 0.0742 (0.0065) O4 * 0.0157 (0.0070) C21 - 3.3553 (0.0101) C9 - 3.4102 (0.0110) C8 - 3.3601 (0.0097) C10 - 3.4274 (0.0105) C7 - 3.4425 (0.0084) C6 - 3.4867 (0.0087) C5 - 3.5159 (0.0073) N1 - 3.5377 (0.0096) C1 - 3.5443 (0.0099) C2 - 3.4240 (0.0074) N2

Rms deviation of fitted atoms = 0.0601

- 6.7893 (0.0042) x + 7.0295 (0.0213) y + 3.6006 (0.0433) z = 1.9217 (0.0151)

Angle to previous plane (with approximate e.s.d.) = 1.73 (0.16)

* 0.0086 (0.0081) C9 * -0.0191 (0.0082) C8 * 0.0177 (0.0068) C10 * 0.0048 (0.0078) C7 * 0.0026 (0.0078) C6 * 0.0005 (0.0079) C5 * -0.0227 (0.0062) N1 * -0.0066 (0.0071) C1 * 0.0201 (0.0065) C2 * -0.0060 (0.0063) N2 3.4453 (0.0089) O8 3.4083 (0.0100) C24 3.4198 (0.0101) C23 3.3608 (0.0086) O5 3.3203 (0.0079) O6 3.4479 (0.0079) O2 3.5411 (0.0106) C22 3.6539 (0.0101) O4 3.5442 (0.0116) C21

Rms deviation of fitted atoms = 0.0134

- 6.5805 (0.0232) x + 7.6209 (0.0580) y + 3.7200 (0.0546) z = 5.7772 (0.0490)

Angle to previous plane (with approximate e.s.d.) = 3.64 (1/2)

* 0.0048 (0.0056) C24 * -0.0048 (0.0056) C23 * 0.0029 (0.0033) O5 * -0.0029 (0.0034) O6 3.5960 (0.0149) C3_$18 3.5105 (0.0112) C4_$18 3.3936 (0.0100) C5_$18 3.3960 (0.0075) N1_$18 3.4956 (0.0132) C1_$18

Rms deviation of fitted atoms = 0.0039

- 6.8254 (0.0117) x + 6.7893 (0.0442) y + 4.0082 (0.0603) z = 1.7464 (0.0470)

Angle to previous plane (with approximate e.s.d.) = 4.73 (0.56)

* 0.0009 (0.0054) N1 * 0.0071 (0.0063) C1 * -0.0074 (0.0048) C2 * 0.0077 (0.0046) C4 * -0.0083 (0.0060) C5 - 3.3984 (0.0115) C24_$14 - 3.5107 (0.0094) O6_$14 - 3.3381 (0.0115) C23_$14 - 3.3889 (0.0092) O5_$14

Rms deviation of fitted atoms = 0.0068

1.7626 (0.0340) x + 10.8359 (0.0368) y - 5.5199 (0.1153) z = 7.8203 (0.0765)

Angle to previous plane (with approximate e.s.d.) = 84.63 (1/3)

* -0.0094 (0.0032) C11 * 0.0198 (0.0067) C12 * -0.0206 (0.0070) C13 * 0.0102 (0.0035) C14 4.0456 (0.0132) C11_$50 4.0165 (0.0129) C12_$50 4.0568 (0.0151) C13_$50 4.0261 (0.0121) C14_$50

Rms deviation of fitted atoms = 0.0159

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
xyzUiso*/Ueq
Pt10.63090 (5)0.73810 (3)0.26543 (2)0.04010 (11)
Pt20.24991 (5)0.90321 (3)0.18348 (2)0.04818 (13)
N50.5127 (11)0.6003 (6)0.3194 (4)0.050 (2)
N20.5069 (9)0.6893 (6)0.1422 (5)0.0448 (18)
N10.7333 (9)0.8723 (6)0.2072 (4)0.0421 (18)
N30.7846 (12)0.7904 (6)0.3861 (5)0.056 (2)
O20.3755 (9)1.0484 (5)0.1525 (4)0.0627 (19)
O10.3692 (9)0.9697 (5)0.3047 (4)0.0640 (19)
O50.1181 (9)0.7567 (5)0.2125 (4)0.0590 (18)
O60.1321 (10)0.8407 (5)0.0637 (4)0.069 (2)
C10.8481 (12)0.9648 (7)0.2475 (6)0.053 (2)
H10.88490.96840.30770.063*
C50.6772 (13)0.8665 (8)0.1191 (6)0.048 (2)
C100.3866 (12)0.5916 (8)0.1127 (7)0.056 (3)
H100.35250.54140.15270.067*
C200.3449 (14)0.5998 (8)0.3471 (6)0.062 (3)
H200.28620.65820.33620.074*
C160.5926 (15)0.5131 (9)0.3292 (6)0.061 (3)
C230.0107 (14)0.6953 (9)0.1462 (6)0.053 (3)
C190.2657 (15)0.5168 (10)0.3891 (7)0.083 (3)
H190.15400.51750.40880.099*
C170.5138 (17)0.4246 (9)0.3734 (7)0.080 (3)
H170.57050.36490.38210.096*
C180.3552 (17)0.4281 (9)0.4029 (7)0.072 (3)
H180.30270.37060.43330.086*
N60.7487 (12)0.5135 (7)0.2983 (6)0.085 (3)
H6A0.79730.56900.27250.103*
H6B0.80160.45820.30400.103*
C20.9134 (13)1.0536 (8)0.2047 (6)0.058 (3)
H20.99491.11600.23430.070*
C30.8553 (14)1.0478 (8)0.1172 (7)0.064 (3)
H30.89681.10750.08630.076*
C40.7356 (14)0.9546 (9)0.0732 (7)0.064 (3)
H40.69510.95180.01340.077*
C60.5514 (12)0.7637 (8)0.0831 (6)0.046 (2)
C90.3137 (14)0.5647 (9)0.0252 (7)0.069 (3)
H90.23220.49730.00660.082*
C70.4792 (14)0.7398 (8)0.0057 (6)0.061 (3)
H70.50870.79120.04550.073*
C80.3626 (15)0.6379 (9)0.0332 (7)0.071 (3)
H80.31740.61950.09240.086*
C240.0180 (14)0.7462 (9)0.0573 (7)0.060 (3)
O40.5453 (11)1.2105 (6)0.2134 (5)0.088 (2)
O30.5496 (11)1.1233 (6)0.3738 (5)0.093 (3)
O80.0748 (10)0.6953 (6)0.0079 (5)0.084 (2)
O70.0855 (10)0.6066 (6)0.1514 (4)0.081 (2)
C110.7273 (15)0.8331 (8)0.4525 (8)0.066 (3)
C120.8479 (15)0.8595 (8)0.5376 (6)0.065 (3)
H120.81050.89370.58460.078*
C131.0130 (16)0.8327 (10)0.5450 (8)0.085 (4)
H131.08880.84340.59940.102*
C141.0760 (16)0.7885 (9)0.4728 (9)0.091 (4)
H141.19490.77440.47870.109*
C150.9666 (14)0.7673 (8)0.3973 (7)0.068 (3)
H151.00780.73670.34990.082*
N40.5655 (11)0.8576 (6)0.4438 (5)0.071 (2)
H4A0.49450.84570.39370.086*
H4B0.52870.88580.48810.086*
C210.4646 (15)1.0688 (10)0.3075 (7)0.064 (3)
C220.4656 (14)1.1152 (9)0.2179 (7)0.063 (3)
O90.9141 (11)1.3198 (6)0.2902 (5)0.106 (3)
O100.2002 (13)0.6772 (7)0.1842 (5)0.129 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.0457 (2)0.0400 (2)0.0338 (2)0.00815 (17)0.00563 (17)0.00305 (16)
Pt20.0483 (3)0.0592 (3)0.0394 (2)0.0164 (2)0.00764 (19)0.0051 (2)
N50.064 (6)0.052 (5)0.025 (4)0.003 (4)0.008 (4)0.013 (4)
N20.039 (4)0.042 (5)0.053 (5)0.012 (4)0.005 (4)0.000 (4)
N10.050 (5)0.044 (4)0.035 (4)0.014 (4)0.010 (4)0.003 (4)
N30.078 (6)0.044 (5)0.046 (5)0.008 (4)0.020 (5)0.007 (4)
O20.074 (5)0.066 (5)0.039 (4)0.003 (4)0.009 (4)0.004 (3)
O10.077 (5)0.061 (5)0.047 (4)0.010 (4)0.007 (4)0.008 (4)
O50.067 (5)0.072 (5)0.035 (4)0.011 (4)0.002 (3)0.007 (3)
O60.090 (6)0.065 (5)0.040 (4)0.005 (4)0.004 (4)0.002 (4)
C10.061 (7)0.045 (6)0.049 (6)0.006 (5)0.012 (5)0.001 (5)
C50.063 (7)0.052 (6)0.037 (6)0.019 (5)0.022 (5)0.008 (5)
C100.049 (6)0.053 (6)0.062 (7)0.007 (5)0.003 (5)0.007 (5)
C200.059 (7)0.063 (7)0.061 (7)0.001 (5)0.019 (6)0.013 (6)
C160.073 (8)0.065 (8)0.038 (6)0.003 (6)0.002 (5)0.006 (5)
C230.053 (7)0.063 (7)0.049 (7)0.023 (5)0.015 (5)0.000 (6)
C190.077 (8)0.086 (9)0.082 (9)0.002 (7)0.021 (7)0.009 (7)
C170.105 (10)0.067 (8)0.060 (8)0.007 (7)0.002 (7)0.021 (6)
C180.093 (9)0.050 (7)0.059 (7)0.017 (6)0.014 (7)0.007 (6)
N60.082 (7)0.068 (6)0.114 (8)0.028 (5)0.022 (6)0.022 (6)
C20.070 (7)0.048 (6)0.055 (7)0.001 (5)0.018 (6)0.004 (5)
C30.081 (8)0.063 (7)0.060 (7)0.021 (6)0.033 (6)0.037 (6)
C40.087 (8)0.064 (7)0.050 (7)0.027 (6)0.017 (6)0.018 (6)
C60.042 (6)0.054 (6)0.044 (6)0.018 (5)0.003 (5)0.004 (5)
C90.073 (8)0.064 (8)0.060 (7)0.015 (6)0.005 (6)0.023 (6)
C70.079 (8)0.066 (7)0.033 (6)0.013 (6)0.000 (5)0.000 (5)
C80.085 (9)0.081 (9)0.047 (7)0.027 (7)0.004 (6)0.002 (6)
C240.056 (7)0.078 (8)0.051 (7)0.025 (6)0.011 (6)0.001 (6)
O40.104 (6)0.072 (5)0.071 (5)0.004 (5)0.005 (5)0.012 (4)
O30.113 (7)0.079 (6)0.067 (5)0.001 (5)0.025 (5)0.003 (4)
O80.092 (6)0.083 (6)0.062 (5)0.003 (4)0.001 (5)0.005 (4)
O70.094 (6)0.074 (5)0.064 (5)0.012 (4)0.021 (4)0.008 (4)
C110.063 (8)0.043 (6)0.082 (9)0.010 (5)0.007 (7)0.017 (6)
C120.073 (8)0.061 (7)0.047 (7)0.004 (6)0.013 (6)0.002 (5)
C130.077 (9)0.105 (10)0.068 (9)0.005 (7)0.015 (7)0.007 (7)
C140.068 (9)0.094 (9)0.110 (11)0.014 (7)0.018 (8)0.006 (8)
C150.058 (7)0.086 (8)0.049 (7)0.008 (6)0.015 (6)0.001 (6)
N40.063 (6)0.086 (7)0.070 (6)0.031 (5)0.007 (5)0.006 (5)
C210.070 (8)0.074 (8)0.045 (7)0.020 (6)0.006 (6)0.004 (6)
C220.060 (7)0.059 (7)0.075 (9)0.014 (6)0.021 (6)0.004 (7)
O90.105 (6)0.066 (5)0.139 (8)0.032 (4)0.013 (6)0.011 (5)
O100.146 (8)0.144 (8)0.085 (7)0.018 (7)0.004 (6)0.002 (6)
Geometric parameters (Å, º) top
Pt1—N21.999 (7)C23—O71.199 (10)
Pt1—N12.008 (7)C23—C241.555 (13)
Pt1—N32.041 (8)C19—C181.407 (14)
Pt1—N52.043 (7)C17—C181.338 (14)
Pt2—O21.974 (6)C2—C31.356 (12)
Pt2—O61.977 (6)C3—C41.381 (13)
Pt2—O51.992 (6)C6—C71.396 (11)
Pt2—O12.011 (6)C9—C81.355 (13)
Pt1—Pt23.9294 (6)C7—C81.384 (13)
Pt2—Pt1i5.0302 (7)C24—O81.202 (11)
O4—O92.852 (11)O4—C221.222 (11)
O4—O10ii3.151 (12)O3—C211.213 (11)
O8—O102.738 (11)C11—N41.292 (11)
O9—O10iii2.878 (12)C11—C121.462 (12)
N5—C161.341 (11)C12—C131.329 (13)
N5—C201.380 (11)C13—C141.404 (14)
N2—C101.362 (10)C14—C151.304 (13)
N2—C61.366 (10)C21—C221.536 (14)
N1—C11.342 (10)C19—H190.9300
N1—C51.363 (10)C17—H170.9300
N3—C111.299 (12)C18—H180.9300
N3—C151.430 (12)N6—H6A0.8600
O2—C221.282 (11)N6—H6B0.8600
O1—C211.284 (11)C2—H20.9300
O5—C231.303 (10)C3—H30.9300
O6—C241.289 (11)C4—H40.9300
C1—C21.362 (11)C9—H90.9300
C1—H10.9300C7—H70.9300
C5—C41.371 (12)C8—H80.9300
C5—C61.447 (12)C12—H120.9300
C10—C91.382 (12)C13—H130.9300
C10—H100.9300C14—H140.9300
C20—C191.333 (12)C15—H150.9300
C20—H200.9300N4—H4A0.8600
C16—N61.322 (11)N4—H4B0.8600
C16—C171.403 (13)
N2—Pt1—N180.4 (3)C19—C20—H20119.5
N2—Pt1—N3173.7 (3)N5—C20—H20119.5
N1—Pt1—N396.1 (3)C20—C19—H19120.8
N2—Pt1—N596.7 (3)C18—C19—H19120.8
N1—Pt1—N5176.6 (3)C18—C17—H17120.8
N3—Pt1—N586.9 (3)C16—C17—H17120.8
O2—Pt2—O697.2 (3)C17—C18—H18119.2
O2—Pt2—O5178.6 (3)C19—C18—H18119.2
O6—Pt2—O581.7 (3)C16—N6—H6A120.0
O2—Pt2—O181.9 (3)C16—N6—H6B120.0
O6—Pt2—O1178.9 (3)H6A—N6—H6B120.0
O5—Pt2—O199.2 (3)C3—C2—C1117.6 (9)
N2—Pt1—Pt267.21 (19)C2—C3—C4121.1 (9)
N1—Pt1—Pt267.51 (19)C5—C4—C3119.0 (9)
N3—Pt1—Pt2116.4 (2)N2—C6—C7121.1 (8)
N5—Pt1—Pt2109.8 (2)N2—C6—C5115.5 (8)
O2—Pt2—Pt1108.41 (19)C7—C6—C5123.4 (9)
O6—Pt2—Pt1107.9 (2)C8—C9—C10119.1 (10)
O5—Pt2—Pt172.75 (18)C8—C7—C6118.5 (10)
O1—Pt2—Pt172.96 (19)C9—C8—C7120.8 (10)
O2—Pt2—Pt1i136.77 (19)O8—C24—O6127.6 (10)
O6—Pt2—Pt1i84.8 (2)O8—C24—C23119.2 (10)
O5—Pt2—Pt1i42.44 (18)O6—C24—C23113.2 (10)
O1—Pt2—Pt1i95.44 (19)N4—C11—N3120.6 (11)
Pt1—Pt2—Pt1i111.941 (13)N4—C11—C12118.5 (11)
C16—N5—C20120.2 (8)N3—C11—C12120.8 (10)
C16—N5—Pt1122.5 (7)C13—C12—C11117.3 (11)
C20—N5—Pt1117.3 (7)C12—C13—C14121.7 (12)
C10—N2—C6118.4 (8)C15—C14—C13119.6 (12)
C10—N2—Pt1126.9 (7)C14—C15—N3121.2 (11)
C6—N2—Pt1114.7 (6)O3—C21—O1124.5 (10)
C1—N1—C5118.9 (8)O3—C21—C22121.2 (11)
C1—N1—Pt1125.7 (6)O1—C21—C22114.3 (10)
C5—N1—Pt1115.4 (6)O4—C22—O2125.0 (11)
C11—N3—C15119.3 (9)O4—C22—C21119.7 (11)
C11—N3—Pt1126.4 (8)O2—C22—C21115.4 (10)
C15—N3—Pt1114.1 (6)C3—C2—H2121.2
C22—O2—Pt2114.5 (6)C1—C2—H2121.2
C21—O1—Pt2113.9 (6)C2—C3—H3119.4
C23—O5—Pt2114.5 (6)C4—C3—H3119.4
C24—O6—Pt2116.1 (7)C5—C4—H4120.5
N1—C1—C2123.2 (9)C3—C4—H4120.5
N1—C5—C4120.2 (9)C8—C9—H9120.5
N1—C5—C6113.9 (8)C10—C9—H9120.5
C4—C5—C6125.9 (9)C8—C7—H7120.8
N2—C10—C9122.1 (9)C6—C7—H7120.8
C19—C20—N5121.0 (10)C9—C8—H8119.6
N6—C16—N5118.9 (10)C7—C8—H8119.6
N6—C16—C17120.8 (11)C13—C12—H12121.3
N5—C16—C17120.2 (10)C11—C12—H12121.3
O7—C23—O5124.2 (10)C12—C13—H13119.2
O7—C23—C24121.7 (10)C14—C13—H13119.2
O5—C23—C24114.1 (9)C15—C14—H14120.2
C20—C19—C18118.4 (11)C13—C14—H14120.2
C18—C17—C16118.4 (11)C14—C15—H15119.4
C17—C18—C19121.6 (11)N3—C15—H15119.4
N1—C1—H1118.4C11—N4—H4A120.0
C2—C1—H1118.4C11—N4—H4B120.0
N2—C10—H10119.0H4A—N4—H4B120.0
C9—C10—H10119.0
C5—N1—C1—C20.6 (13)N2—C10—C9—C80.3 (15)
C1—N1—C5—C40.9 (12)N2—C6—C7—C80.8 (14)
C1—N1—C5—C6179.0 (7)C5—C6—C7—C8178.8 (9)
C6—N2—C10—C92.0 (13)C10—C9—C8—C72.1 (16)
C16—N5—C20—C194.6 (14)C6—C7—C8—C92.6 (16)
C20—N5—C16—N6176.7 (9)O7—C23—C24—O80.2 (15)
C20—N5—C16—C174.9 (13)O5—C23—C24—O8179.2 (9)
N5—C20—C19—C181.4 (15)O7—C23—C24—O6178.4 (9)
N6—C16—C17—C18179.6 (10)O5—C23—C24—O61.0 (12)
N5—C16—C17—C182.1 (15)O6—C24—O8—O104 (2)
C16—C17—C18—C191.2 (16)C23—C24—O8—O10177.8 (10)
C20—C19—C18—C171.5 (16)C15—N3—C11—N4178.1 (9)
N1—C1—C2—C31.3 (14)C15—N3—C11—C121.2 (13)
C1—C2—C3—C40.6 (15)N4—C11—C12—C13179.5 (10)
N1—C5—C4—C31.6 (14)N3—C11—C12—C133.5 (14)
C6—C5—C4—C3179.5 (9)C11—C12—C13—C144.7 (16)
C2—C3—C4—C50.9 (16)C12—C13—C14—C153.8 (18)
C10—N2—C6—C71.4 (12)C13—C14—C15—N31.3 (17)
C10—N2—C6—C5178.9 (8)C11—N3—C15—C140.1 (15)
N1—C5—C6—N20.6 (11)O3—C21—C22—O43.8 (17)
C4—C5—C6—N2177.4 (8)O1—C21—C22—O4176.8 (10)
N1—C5—C6—C7179.0 (8)O3—C21—C22—O2177.8 (10)
C4—C5—C6—C73.0 (15)O1—C21—C22—O21.6 (14)
Symmetry codes: (i) x1, y, z; (ii) x, y+2, z; (iii) x+1, y+2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N6—H6B···O9iv0.862.072.919 (10)168
N6—H6A···O7v0.862.222.937 (11)140
N4—H4B···O3vi0.862.313.091 (11)151
N4—H4A···O10.862.362.993 (10)130
Symmetry codes: (iv) x, y1, z; (v) x+1, y, z; (vi) x+1, y+2, z+1.
 

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