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In the title compound, [Pt(C10H8N2)(C5H6N2)2][Pt(CN)4]·2H2O, cations and anions alternate along the a axis, giving a one-dimensional chain of the Magnus green salt type. The electrostatic interactions between the divalent cations and anions, together with the π–π stacking associations between the 2,2′-bi­pyridine moieties, contribute to the stabilization of the crystal packing. Two different Pt...Pt distances [5.2034 (6) and 4.5599 (6) Å] alternate along the one-dimensional stack.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803028332/ob6331sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803028332/ob6331Isup2.hkl
Contains datablock I

CCDC reference: 231829

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.018 Å
  • H-atom completeness 84%
  • R factor = 0.047
  • wR factor = 0.131
  • Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O1
Author Response: Hydrogen atoms of water molecules are generally hard to be located when a heavy atom is involved.
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O2
Author Response: Hydrogen atoms of water molecules are generally hard to be located when a heavy atom is involved.

Alert level B PLAT430_ALERT_2_B Short Inter D...A Contact O1 .. O2 = 2.77 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O1 .. N8 = 2.81 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 18 PLAT420_ALERT_2_C D-H Without Acceptor N6 - H6A ... ? PLAT430_ALERT_2_C Short Inter D...A Contact O2 .. N9 = 2.90 Ang.
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C24 H24 N10 O2 Pt2 Atom count from the _atom_site data: C24 H20 N10 O2 Pt2 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C24 H24 N10 O2 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 20.00 20.00 0.00 O 4.00 4.00 0.00 Pt 4.00 4.00 0.00
2 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

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) and ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97, TEXSAN (Molecular Structure Corporation, 2001) and KENX.

Bis(2-aminopyridine)(2,2'-bipyridine)platinum(II) tetracyanoplatinate(II) dihydrate top
Crystal data top
[Pt(C10H8N2)(C5H6N2)2][Pt(CN)4]·2H2OZ = 2
Mr = 874.71F(000) = 820
Triclinic, P1? # Insert any comments here.
Hall symbol: -P 1Dx = 2.121 Mg m3
a = 7.2972 (5) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.7313 (8) ÅCell parameters from 4752 reflections
c = 15.7612 (10) Åθ = 2.4–25.4°
α = 98.266 (1)°µ = 10.25 mm1
β = 98.963 (1)°T = 296 K
γ = 105.187 (1)°Needle, colorless
V = 1369.45 (15) Å30.32 × 0.07 × 0.07 mm
Data collection top
Bruker SMART APEX CCD-detector
diffractometer
4918 independent reflections
Radiation source: fine-focus sealed tube4030 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.082
Detector resolution: 8.366 pixels mm-1θmax = 25.4°, θmin = 2.4°
ω scansh = 88
Absorption correction: gaussian
(XPREP in SAINT; Bruker, 2001)
k = 1515
Tmin = 0.215, Tmax = 0.604l = 1718
7239 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)] = 0.047Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.131H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.064P)2 + 0.5602P]
where P = (Fo2 + 2Fc2)/3
4918 reflections(Δ/σ)max < 0.001
343 parametersΔρmax = 4.09 e Å3
6 restraintsΔρmin = 3.13 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)

7.0817 (0.0080) x - 1.0417 (0.0562) y - 5.3976 (0.0695) z = 2.9192 (0.0257)

* 0.0399 (0.0060) C21 * -0.0417 (0.0063) C22 * 0.0395 (0.0059) C23 * -0.0376 (0.0056) C24 0.0222 (0.0059) Pt2 - 3.2214 (0.0192) Pt1

Rms deviation of fitted atoms = 0.0397

7.0572 (0.0062) x - 0.6006 (0.0408) y - 0.9101 (0.0479) z = 0.9122 (0.0164)

Angle to previous plane (with approximate e.s.d.) = 17.38 (0.23)

* -0.0164 (0.0044) N1 * 0.0165 (0.0044) N2 * -0.0152 (0.0040) N3 * 0.0151 (0.0040) N5 - 0.0260 (0.0041) Pt1 3.4091 (0.0125) Pt2

Rms deviation of fitted atoms = 0.0158

- 1.9817 (0.0244) x + 12.2003 (0.0156) y - 6.4575 (0.0592) z = 1.8647 (0.0071)

Angle to previous plane (with approximate e.s.d.) = 83.94 (0.27)

* -0.0035 (0.0075) N5 * -0.0115 (0.0074) N6 * 0.0076 (0.0098) C16 * 0.0206 (0.0097) C17 * -0.0188 (0.0097) C18 * -0.0007 (0.0104) C19 * 0.0063 (0.0083) C20

Rms deviation of fitted atoms = 0.0121

- 2.4108 (0.0238) x + 5.3588 (0.0540) y + 13.1769 (0.0393) z = 4.4341 (0.0241)

Angle to previous plane (with approximate e.s.d.) = 80.91 (0.32)

* 0.0015 (0.0074) N3 * 0.0056 (0.0070) N4 * -0.0174 (0.0096) C11 * 0.0152 (0.0107) C12 * -0.0137 (0.0104) C13 * 0.0082 (0.0103) C14 * 0.0005 (0.0080) C15

Rms deviation of fitted atoms = 0.0108

7.0572 (0.0062) x - 0.6006 (0.0408) y - 0.9101 (0.0479) z = 0.9122 (0.0164)

Angle to previous plane (with approximate e.s.d.) = 82.86 (0.26)

* -0.0164 (0.0044) N1 * 0.0165 (0.0044) N2 * -0.0152 (0.0040) N3 * 0.0151 (0.0040) N5 - 0.0260 (0.0041) Pt1 3.4091 (0.0125) Pt2

Rms deviation of fitted atoms = 0.0158

7.0696 (0.0027) x - 0.2978 (0.0231) y - 2.0835 (0.0480) z = 0.5828 (0.0155)

Angle to previous plane (with approximate e.s.d.) = 4.35 (0.19)

* 0.0295 (0.0073) N1 * 0.0425 (0.0078) N2 * -0.0228 (0.0087) C1 * -0.0560 (0.0099) C2 * -0.0181 (0.0097) C3 * 0.0138 (0.0094) C4 * 0.0438 (0.0096) C5 * 0.0513 (0.0090) C6 * 0.0260 (0.0101) C7 * -0.0287 (0.0101) C8 * -0.0569 (0.0102) C9 * -0.0245 (0.0091) C10

Rms deviation of fitted atoms = 0.0374

7.1269 (0.0068) x - 0.6937 (0.0531) y - 2.2474 (0.0730) z = 0.4969 (0.0246)

Angle to previous plane (with approximate e.s.d.) = 1.99 (0.21)

* 0.0052 (0.0066) N1 * -0.0009 (0.0074) C1 * -0.0069 (0.0083) C2 * 0.0102 (0.0084) C3 * -0.0059 (0.0077) C4 * -0.0017 (0.0071) C5

Rms deviation of fitted atoms = 0.0060

6.9903 (0.0093) x + 0.1778 (0.0561) y - 1.9012 (0.0686) z = 0.8498 (0.0342)

Angle to previous plane (with approximate e.s.d.) = 4.35 (0.31)

* 0.0077 (0.0067) N2 * -0.0061 (0.0071) C6 * 0.0007 (0.0083) C7 * 0.0031 (0.0087) C8 * -0.0015 (0.0085) C9 * -0.0038 (0.0080) C10

Rms deviation of fitted atoms = 0.0045

7.0572 (0.0062) x - 0.6006 (0.0408) y - 0.9101 (0.0479) z = 0.9122 (0.0164)

Angle to previous plane (with approximate e.s.d.) = 4.71 (0.29)

* -0.0164 (0.0044) N1 * 0.0165 (0.0044) N2 * -0.0152 (0.0040) N3 * 0.0151 (0.0040) N5 - 0.0260 (0.0041) Pt1 3.4091 (0.0125) Pt2

Rms deviation of fitted atoms = 0.0158

7.1269 (0.0068) x - 0.6937 (0.0531) y - 2.2474 (0.0730) z = 0.4969 (0.0246)

Angle to previous plane (with approximate e.s.d.) = 5.02 (1/4)

* 0.0052 (0.0066) N1 * -0.0009 (0.0074) C1 * -0.0069 (0.0083) C2 * 0.0102 (0.0084) C3 * -0.0059 (0.0077) C4 * -0.0017 (0.0071) C5

Rms deviation of fitted atoms = 0.0060

- 1.9817 (0.0244) x + 12.2003 (0.0156) y - 6.4575 (0.0592) z = 1.8647 (0.0071)

Angle to previous plane (with approximate e.s.d.) = 84.95 (0.31)

* -0.0035 (0.0075) N5 * -0.0115 (0.0074) N6 * 0.0076 (0.0098) C16 * 0.0206 (0.0097) C17 * -0.0188 (0.0097) C18 * -0.0007 (0.0104) C19 * 0.0063 (0.0083) C20

Rms deviation of fitted atoms = 0.0121

7.0696 (0.0027) x - 0.2978 (0.0231) y - 2.0835 (0.0480) z = 0.5828 (0.0155)

Angle to previous plane (with approximate e.s.d.) = 86.41 (0.22)

* 0.0295 (0.0073) N1 * 0.0425 (0.0078) N2 * -0.0228 (0.0087) C1 * -0.0560 (0.0099) C2 * -0.0181 (0.0097) C3 * 0.0138 (0.0094) C4 * 0.0438 (0.0096) C5 * 0.0513 (0.0090) C6 * 0.0260 (0.0101) C7 * -0.0287 (0.0101) C8 * -0.0569 (0.0102) C9 * -0.0245 (0.0091) C10

Rms deviation of fitted atoms = 0.0374

- 2.4108 (0.0238) x + 5.3588 (0.0540) y + 13.1769 (0.0393) z = 4.4341 (0.0241)

Angle to previous plane (with approximate e.s.d.) = 79.69 (0.26)

* 0.0015 (0.0074) N3 * 0.0056 (0.0070) N4 * -0.0174 (0.0096) C11 * 0.0152 (0.0107) C12 * -0.0137 (0.0104) C13 * 0.0082 (0.0103) C14 * 0.0005 (0.0080) C15

Rms deviation of fitted atoms = 0.0108

6.9915 (0.0185) x + 0.1803 (0.0967) y - 1.9451 (0.1188) z = 0.8299 (0.0838)

Angle to previous plane (with approximate e.s.d.) = 81.36 (0.47)

* -0.0005 (0.0040) C7 * 0.0009 (0.0079) C8 * -0.0009 (0.0079) C9 * 0.0005 (0.0041) C10 3.5673 (0.0120) C7_$16 3.5659 (0.0139) C8_$16 3.5677 (0.0137) C9_$16 3.5663 (0.0119) C10_$16

Rms deviation of fitted atoms = 0.0007

7.1281 (0.0085) x - 0.7029 (0.0640) y - 2.2521 (0.0777) z = 0.4952 (0.0264)

Angle to previous plane (with approximate e.s.d.) = 4.34 (0.49)

* 0.0041 (0.0053) N1 * -0.0009 (0.0074) C1 * -0.0063 (0.0079) C2 * 0.0102 (0.0084) C3 * -0.0070 (0.0057) C4 3.4613 (0.0150) C21 3.4578 (0.0071) Pt2 3.8080 (0.0141) C22

Rms deviation of fitted atoms = 0.0065

7.1267 (0.0071) x - 0.6937 (0.0531) y - 2.2407 (0.0888) z = 0.4994 (0.0313)

Angle to previous plane (with approximate e.s.d.) = 0.06 (0.29)

* 0.0046 (0.0053) N1 * -0.0075 (0.0060) C2 * 0.0102 (0.0084) C3 * -0.0056 (0.0074) C4 * -0.0017 (0.0071) C5 - 3.6698 (0.0051) Pt2_$2 - 3.3177 (0.0153) C22_$2 - 3.6189 (0.0141) C23_$2

Rms deviation of fitted atoms = 0.0066

7.1290 (0.0053) x - 1.0638 (0.0466) y - 4.7226 (0.0515) z = 3.1801 (0.0198)

Angle to previous plane (with approximate e.s.d.) = 9.81 (0.23)

* -0.0050 (0.0046) Pt2 * -0.0044 (0.0096) C21 * 0.0030 (0.0061) N7 * 0.0172 (0.0099) C22 * -0.0107 (0.0062) N8 - 3.4660 (0.0103) N1 - 3.3323 (0.0133) C1 - 3.4115 (0.0133) C2 - 3.6213 (0.0129) C3 - 3.7867 (0.0115) C4 - 3.7014 (0.0115) C5

Rms deviation of fitted atoms = 0.0096

7.1269 (0.0068) x - 0.6937 (0.0531) y - 2.2474 (0.0730) z = 0.4969 (0.0246)

Angle to previous plane (with approximate e.s.d.) = 9.79 (0.22)

* 0.0052 (0.0066) N1 * -0.0009 (0.0074) C1 * -0.0069 (0.0083) C2 * 0.0102 (0.0084) C3 * -0.0059 (0.0077) C4 * -0.0017 (0.0071) C5 3.4575 (0.0069) Pt2 3.4623 (0.0146) C21 3.4711 (0.0163) N7 3.8088 (0.0137) C22 3.9798 (0.0169) N8

Rms deviation of fitted atoms = 0.0060

7.1290 (0.0053) x - 1.0638 (0.0466) y - 4.7226 (0.0515) z = 3.1801 (0.0198)

Angle to previous plane (with approximate e.s.d.) = 9.79 (0.22)

* -0.0050 (0.0046) Pt2 * -0.0044 (0.0096) C21 * 0.0030 (0.0061) N7 * 0.0172 (0.0099) C22 * -0.0107 (0.0062) N8 3.6631 (0.0085) N1_$3 3.7968 (0.0123) C1_$3 3.7175 (0.0148) C2_$3 3.5078 (0.0155) C3_$3 3.3423 (0.0130) C4_$3 3.4276 (0.0109) C5_$3

Rms deviation of fitted atoms = 0.0096

7.1269 (0.0068) x - 0.6937 (0.0531) y - 2.2474 (0.0730) z = 7.6238 (0.0227)

Angle to previous plane (with approximate e.s.d.) = 9.79 (0.22)

* 0.0052 (0.0066) N1_$3 * -0.0009 (0.0074) C1_$3 * -0.0069 (0.0083) C2_$3 * 0.0102 (0.0084) C3_$3 * -0.0059 (0.0077) C4_$3 * -0.0017 (0.0071) C5_$3 - 3.6694 (0.0044) Pt2 - 3.6646 (0.0175) C21 - 3.6558 (0.0197) N7 - 3.3181 (0.0149) C22 - 3.1471 (0.0189) N8

Rms deviation of fitted atoms = 0.0060

6.9915 (0.0185) x + 0.1803 (0.0969) y - 1.9451 (0.1188) z = 4.3967 (0.0865)

Angle to previous plane (with approximate e.s.d.) = 4.29 (0.47)

* 0.0005 (0.0040) C7_$16 * -0.0009 (0.0079) C8_$16 * 0.0009 (0.0079) C9_$16 * -0.0005 (0.0041) C10_$16 - 3.5673 (0.0120) C7 - 3.5659 (0.0138) C8 - 3.5677 (0.0136) C9 - 3.5663 (0.0119) C10

Rms deviation of fitted atoms = 0.0007

6.9915 (0.0185) x + 0.1803 (0.0967) y - 1.9451 (0.1188) z = 0.8299 (0.0838)

Angle to previous plane (with approximate e.s.d.) = 0.00 (2/3)

* -0.0005 (0.0040) C7 * 0.0009 (0.0079) C8 * -0.0009 (0.0079) C9 * 0.0005 (0.0041) C10 - 3.4242 (0.0235) C7_$17 - 3.4256 (0.0246) C8_$17 - 3.4238 (0.0242) C9_$17 - 3.4251 (0.0234) C10_$17

Rms deviation of fitted atoms = 0.0007

- 6.9915 (0.0185) x - 0.1803 (0.0969) y + 1.9451 (0.1188) z = 2.5947 (0.1036)

Angle to previous plane (with approximate e.s.d.) = 0.00 (2/3)

* -0.0005 (0.0040) C7_$17 * 0.0009 (0.0079) C8_$17 * -0.0009 (0.0079) C9_$17 * 0.0005 (0.0041) C10_$17 - 3.4242 (0.0235) C7 - 3.4256 (0.0246) C8 - 3.4238 (0.0242) C9 - 3.4251 (0.0235) C10

Rms deviation of fitted atoms = 0.0007

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
Pt10.18272 (5)0.31570 (3)0.23480 (2)0.04305 (15)
Pt20.65850 (6)0.08349 (3)0.30291 (3)0.05769 (16)
O10.2278 (14)0.7275 (7)0.3291 (6)0.089 (3)
O20.8512 (15)0.7097 (7)0.2495 (7)0.104 (3)
N10.1801 (11)0.1840 (6)0.2910 (5)0.0441 (18)
N20.2108 (12)0.3853 (6)0.3602 (5)0.0459 (19)
N30.1899 (13)0.4556 (6)0.1861 (5)0.051 (2)
N40.5264 (15)0.5195 (7)0.2220 (7)0.072 (3)
H4A0.52860.46410.24700.087*
H4B0.63310.56770.22090.087*
N50.1659 (14)0.2381 (7)0.1106 (6)0.058 (2)
N60.1594 (15)0.1674 (9)0.0782 (9)0.090 (3)
H6A0.15910.19420.13160.108*
H6B0.26720.13170.04280.108*
N70.6731 (17)0.3220 (8)0.2696 (8)0.077 (3)
N90.6581 (18)0.1526 (8)0.3424 (8)0.089 (3)
N100.467 (2)0.0311 (11)0.1065 (8)0.108 (5)
C10.1563 (16)0.0809 (8)0.2499 (7)0.053 (3)
H10.13570.06660.18910.064*
C20.1605 (17)0.0049 (9)0.2923 (9)0.069 (3)
H20.14150.07590.26110.082*
C30.1928 (17)0.0156 (9)0.3809 (8)0.064 (3)
H30.20010.04090.41160.077*
C40.2149 (16)0.1217 (9)0.4254 (8)0.063 (3)
H40.23360.13630.48620.076*
C50.2093 (14)0.2049 (8)0.3802 (6)0.049 (2)
C60.2265 (13)0.3181 (8)0.4188 (7)0.047 (2)
C70.2504 (16)0.3558 (9)0.5065 (8)0.063 (3)
H70.26270.30900.54580.076*
C80.2561 (18)0.4655 (10)0.5364 (7)0.069 (3)
H80.27230.49230.59600.082*
C90.2374 (18)0.5348 (9)0.4767 (8)0.067 (3)
H90.24040.60800.49550.080*
C100.2144 (16)0.4915 (9)0.3893 (7)0.060 (3)
H100.20080.53670.34870.072*
C110.3589 (18)0.5307 (8)0.1850 (7)0.057 (3)
C120.355 (2)0.6252 (10)0.1484 (9)0.079 (4)
H120.47000.67960.15050.095*
C130.188 (3)0.6360 (12)0.1112 (9)0.093 (5)
H130.18680.69600.08390.112*
C140.014 (2)0.5603 (12)0.1119 (8)0.082 (4)
H140.10300.57040.08780.098*
C150.0192 (19)0.4716 (10)0.1483 (7)0.067 (3)
H150.09720.41930.14780.080*
C160.0039 (19)0.1811 (9)0.0509 (8)0.065 (3)
C170.010 (2)0.1377 (10)0.0351 (8)0.074 (4)
H170.10350.10060.07560.089*
C180.183 (2)0.1501 (12)0.0583 (9)0.084 (4)
H180.18710.11780.11440.101*
C190.355 (2)0.2104 (12)0.0002 (9)0.089 (4)
H190.47400.22110.01740.107*
C200.345 (2)0.2524 (10)0.0813 (8)0.069 (3)
H200.45900.29270.12050.083*
C210.6674 (17)0.2360 (11)0.2818 (8)0.063 (3)
C230.6596 (18)0.0664 (10)0.3301 (9)0.068 (3)
C240.541 (2)0.0123 (11)0.1742 (10)0.081 (4)
C220.7531 (17)0.1500 (9)0.4260 (9)0.060 (3)
N80.8046 (17)0.1923 (8)0.5001 (8)0.079 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.0500 (3)0.0386 (2)0.0424 (2)0.01491 (16)0.01062 (16)0.00847 (16)
Pt20.0522 (3)0.0573 (3)0.0697 (3)0.0203 (2)0.0200 (2)0.0156 (2)
O10.114 (7)0.074 (5)0.074 (6)0.028 (5)0.017 (6)0.001 (5)
O20.093 (7)0.075 (6)0.137 (9)0.019 (5)0.035 (7)0.010 (6)
N10.039 (4)0.038 (4)0.057 (5)0.013 (3)0.013 (4)0.010 (4)
N20.054 (5)0.048 (4)0.036 (4)0.019 (4)0.011 (4)0.003 (4)
N30.076 (6)0.041 (4)0.043 (5)0.026 (4)0.013 (4)0.013 (4)
N40.078 (7)0.058 (5)0.090 (8)0.026 (5)0.023 (6)0.028 (5)
N50.069 (6)0.048 (5)0.052 (5)0.020 (4)0.010 (5)0.007 (4)
N60.066 (7)0.081 (7)0.112 (10)0.010 (6)0.027 (7)0.002 (7)
N70.095 (8)0.062 (6)0.076 (7)0.026 (6)0.006 (6)0.027 (5)
N90.111 (9)0.053 (6)0.109 (9)0.036 (6)0.028 (8)0.011 (6)
N100.116 (11)0.125 (11)0.054 (7)0.000 (9)0.007 (7)0.000 (7)
C10.067 (7)0.040 (5)0.054 (6)0.019 (5)0.011 (5)0.007 (5)
C20.074 (8)0.046 (6)0.094 (10)0.020 (6)0.029 (7)0.020 (6)
C30.074 (8)0.052 (6)0.073 (8)0.019 (6)0.017 (6)0.031 (6)
C40.075 (8)0.066 (7)0.069 (7)0.031 (6)0.031 (6)0.035 (6)
C50.058 (6)0.049 (5)0.046 (6)0.020 (5)0.015 (5)0.017 (5)
C60.043 (5)0.049 (5)0.050 (6)0.010 (4)0.013 (4)0.010 (5)
C70.071 (8)0.073 (7)0.056 (7)0.026 (6)0.021 (6)0.027 (6)
C80.078 (8)0.082 (8)0.039 (6)0.020 (7)0.014 (6)0.004 (6)
C90.093 (9)0.049 (6)0.062 (7)0.027 (6)0.031 (7)0.005 (5)
C100.072 (7)0.062 (6)0.055 (7)0.030 (6)0.018 (6)0.017 (5)
C110.080 (8)0.041 (5)0.053 (6)0.021 (5)0.019 (6)0.013 (5)
C120.106 (11)0.057 (7)0.080 (9)0.023 (7)0.019 (8)0.033 (7)
C130.148 (15)0.085 (10)0.069 (9)0.067 (11)0.014 (10)0.037 (8)
C140.104 (11)0.099 (10)0.060 (8)0.064 (9)0.004 (8)0.019 (8)
C150.092 (9)0.070 (7)0.047 (6)0.043 (7)0.010 (6)0.010 (6)
C160.078 (8)0.057 (6)0.068 (8)0.025 (6)0.020 (7)0.021 (6)
C170.107 (11)0.072 (7)0.045 (6)0.043 (7)0.004 (7)0.005 (6)
C180.105 (12)0.096 (10)0.062 (8)0.047 (9)0.012 (8)0.020 (8)
C190.086 (10)0.104 (10)0.086 (10)0.031 (9)0.040 (9)0.017 (9)
C200.094 (9)0.073 (7)0.055 (7)0.037 (7)0.033 (7)0.017 (6)
C210.060 (7)0.081 (8)0.059 (7)0.033 (6)0.008 (6)0.022 (6)
C230.065 (7)0.068 (7)0.074 (8)0.025 (6)0.021 (6)0.012 (6)
C240.071 (9)0.077 (8)0.087 (10)0.005 (7)0.025 (8)0.010 (8)
C220.066 (6)0.047 (5)0.076 (7)0.024 (4)0.016 (5)0.023 (5)
N80.104 (9)0.054 (6)0.077 (8)0.019 (6)0.015 (7)0.012 (5)
Geometric parameters (Å, º) top
Pt1—N12.002 (7)C8—C91.394 (16)
Pt1—N22.003 (8)C9—C101.375 (15)
Pt1—N32.030 (7)C11—C121.411 (14)
Pt1—N52.032 (9)C12—C131.320 (19)
Pt2—C221.940 (13)C13—C141.38 (2)
Pt2—C212.003 (12)C14—C151.344 (16)
Pt2—C232.016 (13)C16—C171.401 (17)
Pt2—C242.048 (16)C17—C181.338 (19)
Pt1—Pt25.2034 (6)C18—C191.396 (19)
Pt1—Pt2i4.5599 (6)C19—C201.340 (16)
Pt2—Pt1ii4.5599 (6)C22—N81.171 (15)
N1—C11.332 (12)N4—H4A0.8600
N1—C51.365 (12)N4—H4B0.8600
N2—C101.356 (12)N6—H6A0.8600
N2—C61.357 (12)N6—H6B0.8600
N3—C111.353 (14)C1—H10.9300
N3—C151.373 (14)C2—H20.9300
N4—C111.322 (14)C3—H30.9300
N5—C161.348 (15)C4—H40.9300
N5—C201.427 (15)C7—H70.9300
N6—C161.307 (16)C8—H80.9300
N7—C211.130 (14)C9—H90.9300
N9—C231.139 (15)C10—H100.9300
N10—C241.109 (17)C12—H120.9300
C1—C21.365 (14)C13—H130.9300
C2—C31.354 (17)C14—H140.9300
C3—C41.386 (15)C15—H150.9300
C4—C51.364 (13)C17—H170.9300
C5—C61.447 (13)C18—H180.9300
C6—C71.365 (15)C19—H190.9300
C7—C81.396 (16)C20—H200.9300
O1···O2i2.774 (14)O1···N9iv3.071 (16)
O1···N8iii2.807 (15)O2···N9iv2.899 (14)
N1—Pt1—N280.0 (3)C13—C12—C11119.7 (13)
N1—Pt1—N3176.1 (3)C12—C13—C14121.5 (12)
N2—Pt1—N396.2 (3)C15—C14—C13118.3 (13)
N1—Pt1—N596.6 (3)C14—C15—N3122.3 (13)
N2—Pt1—N5175.9 (3)N6—C16—N5116.1 (12)
N3—Pt1—N587.2 (3)N6—C16—C17121.9 (14)
C22—Pt2—C2187.1 (4)N5—C16—C17121.9 (12)
C22—Pt2—C2390.1 (5)C18—C17—C16119.3 (14)
C21—Pt2—C23177.0 (5)C17—C18—C19121.5 (14)
C22—Pt2—C24176.4 (5)C20—C19—C18117.9 (14)
C21—Pt2—C2492.7 (5)C19—C20—N5123.0 (13)
C23—Pt2—C2490.2 (5)N7—C21—Pt2179.6 (13)
C1—N1—C5118.2 (8)N9—C23—Pt2177.6 (13)
C1—N1—Pt1126.4 (7)N10—C24—Pt2174.8 (14)
C5—N1—Pt1115.4 (6)N8—C22—Pt2177.3 (11)
C10—N2—C6119.3 (8)N1—C1—H1118.3
C10—N2—Pt1125.2 (7)C2—C1—H1118.3
C6—N2—Pt1115.5 (6)C3—C2—H2120.7
C11—N3—C15118.6 (9)C1—C2—H2120.7
C11—N3—Pt1121.9 (7)C2—C3—H3120.4
C15—N3—Pt1119.3 (8)C4—C3—H3120.4
C16—N5—C20116.3 (10)C5—C4—H4120.0
C16—N5—Pt1127.3 (8)C3—C4—H4120.0
C20—N5—Pt1116.3 (7)C6—C7—H7120.4
N1—C1—C2123.5 (11)C8—C7—H7120.4
C3—C2—C1118.6 (11)C9—C8—H8120.1
C2—C3—C4119.2 (10)C7—C8—H8120.1
C5—C4—C3120.1 (11)C10—C9—H9121.0
C4—C5—N1120.4 (9)C8—C9—H9121.0
C4—C5—C6125.3 (10)N2—C10—H10118.9
N1—C5—C6114.3 (8)C9—C10—H10118.9
N2—C6—C7121.5 (9)C13—C12—H12120.1
N2—C6—C5114.7 (8)C11—C12—H12120.1
C7—C6—C5123.9 (9)C12—C13—H13119.3
C6—C7—C8119.2 (10)C14—C13—H13119.3
C9—C8—C7119.8 (10)C15—C14—H14120.8
C11—N4—H4A120.0C13—C14—H14120.8
C11—N4—H4B120.0C14—C15—H15118.9
H4A—N4—H4B120.0N3—C15—H15118.9
C16—N6—H6A120.0C18—C17—H17120.3
C16—N6—H6B120.0C16—C17—H17120.3
H6A—N6—H6B120.0C17—C18—H18119.2
C10—C9—C8118.0 (10)C19—C18—H18119.2
N2—C10—C9122.3 (10)C20—C19—H19121.1
N4—C11—N3120.6 (9)C18—C19—H19121.1
N4—C11—C12119.8 (11)C19—C20—H20118.5
N3—C11—C12119.4 (11)N5—C20—H20118.5
C5—N1—C1—C20.3 (16)C7—C8—C9—C100.2 (19)
N7—N1—C1—C2105.3 (11)C6—N2—C10—C91.4 (16)
N1—C1—C2—C30.8 (18)C8—C9—C10—N20.5 (18)
C1—C2—C3—C41.8 (18)C15—N3—C11—N4178.9 (10)
C2—C3—C4—C51.8 (18)C15—N3—C11—C122.5 (16)
C1—N1—C5—C40.4 (15)N4—C11—C12—C13179.7 (13)
N7—N1—C5—C4107.0 (9)N3—C11—C12—C134 (2)
C1—N1—C5—C6177.8 (9)C11—C12—C13—C144 (2)
N7—N1—C5—C674.8 (8)C12—C13—C14—C153 (2)
C3—C4—C5—N10.6 (16)C13—C14—C15—N31 (2)
C3—C4—C5—C6178.7 (10)C11—N3—C15—C141.4 (17)
C10—N2—C6—C71.6 (15)C20—N5—C16—N6179.5 (10)
C10—N2—C6—C5176.5 (9)C20—N5—C16—C170.3 (15)
N1—C5—C6—N20.0 (13)N6—C16—C17—C18177.1 (12)
C4—C5—C6—N2178.1 (9)N5—C16—C17—C182.0 (18)
N1—C5—C6—C7178.0 (10)C16—C17—C18—C193 (2)
C4—C5—C6—C70.1 (17)C17—C18—C19—C202 (2)
N2—C6—C7—C80.9 (17)C18—C19—C20—N50 (2)
C5—C6—C7—C8176.9 (10)C16—N5—C20—C191.3 (16)
C6—C7—C8—C90.0 (19)
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z; (iii) x+1, y+1, z+1; (iv) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N6—H6B···N10v0.862.533.316 (17)153
N4—H4A···N70.862.363.121 (13)147
N4—H4B···O20.862.012.835 (13)161
Symmetry code: (v) x, y, z.
 

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