Literature DB >> 21582352

Poly[[tri-μ-cyanido-cyanido(1,4,10,13-tetra-oxa-7,16-diaza-cyclo-octa-deca-ne)barium(II)platinum(II)] hemihydrate].

Marilyn M Olmstead1, Christine M Beavers, Latisha Paw U.   

Abstract

The title compound, {[BaPt(CN)(4)(C(12)H(26)N(2)O(4))]·0.5H(2)O}(n), is a two-dimensional coordination polymer in which the sheets are oriented approximately parallel to the (01) set of crystal planes. In the crystal structure, disordered water mol-ecules (half occupancy) connect the sheets into a three-dimensional network via inter-molecular O-H⋯O hydrogen bonds. An N-H⋯N inter-action is also present. The shortest PtPt contacts are 7.5969 (4) Å by an inversion relationship and 7.6781 (4) Å by translation along the a axis.

Entities:  

Year:  2009        PMID: 21582352      PMCID: PMC2968926          DOI: 10.1107/S1600536809008915

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For [BaPt(CN)4]·4H2O, see: Bergsoe et al. (1962 ▶); Williams et al. (1982 ▶). For the structure of a related salt, see: Olmstead et al. (2005 ▶).

Experimental

Crystal data

[BaPt(CN)4(C12H26N2O4)]·0.5H2O M = 707.87 Monoclinic, a = 7.6781 (4) Å b = 14.8881 (9) Å c = 20.2325 (12) Å β = 93.254 (2)° V = 2309.1 (2) Å3 Z = 4 Mo Kα radiation μ = 7.78 mm−1 T = 93 K 0.18 × 0.10 × 0.06 mm

Data collection

Bruker SMART APEXII diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.469, T max = 0.676 (expected range = 0.435–0.627) 30095 measured reflections 5292 independent reflections 5066 reflections with I > 2σ(I) R int = 0.027

Refinement

R[F 2 > 2σ(F 2)] = 0.013 wR(F 2) = 0.032 S = 1.03 5292 reflections 276 parameters 3 restraints H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.72 e Å−3 Δρmin = −0.42 e Å−3 Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶), PovChem (Thiessen, 2000 ▶) and POV-RAY (Cason et al., 2004 ▶); software used to prepare material for publication: SHELXL97. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809008915/lh2782sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809008915/lh2782Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[BaPt(CN)4(C12H26N2O4)]·0.5H2OF(000) = 1340
Mr = 707.87Dx = 2.036 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 7683 reflections
a = 7.6781 (4) Åθ = 2.4–33.6°
b = 14.8881 (9) ŵ = 7.78 mm1
c = 20.2325 (12) ÅT = 93 K
β = 93.254 (2)°Prism, colorless
V = 2309.1 (2) Å30.18 × 0.10 × 0.06 mm
Z = 4
Bruker SMART APEXII diffractometer5292 independent reflections
Radiation source: fine-focus sealed tube5066 reflections with I > 2σ(I)
graphiteRint = 0.027
Detector resolution: 8.3 pixels mm-1θmax = 27.5°, θmin = 1.7°
ω scansh = −9→9
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)k = −19→19
Tmin = 0.469, Tmax = 0.676l = −26→26
30095 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.013Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.032H atoms treated by a mixture of independent and constrained refinement
S = 1.03w = 1/[σ2(Fo2) + (0.0143P)2 + 1.2267P] where P = (Fo2 + 2Fc2)/3
5292 reflections(Δ/σ)max = 0.003
276 parametersΔρmax = 0.72 e Å3
3 restraintsΔρmin = −0.42 e Å3
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/UeqOcc. (<1)
Ba10.208165 (16)0.303438 (8)0.122058 (6)0.01394 (3)
Pt10.519371 (10)0.670691 (5)0.139759 (4)0.01325 (3)
O10.4491 (2)0.29360 (10)0.22989 (7)0.0214 (3)
O20.4371 (2)0.15673 (10)0.13466 (8)0.0215 (3)
O3−0.0794 (2)0.28946 (11)0.02904 (8)0.0238 (3)
O4−0.0661 (2)0.42719 (11)0.12179 (8)0.0243 (3)
O50.9018 (6)1.0164 (3)0.1191 (2)0.0460 (10)0.50
H5C0.809 (6)0.985 (4)0.142 (3)0.069*0.50
H5D0.944 (8)1.063 (3)0.151 (2)0.069*0.50
N10.6016 (3)0.66373 (15)−0.00967 (11)0.0382 (6)
N20.6503 (3)0.87107 (13)0.13625 (10)0.0296 (5)
N30.4574 (3)0.67833 (12)0.29213 (9)0.0225 (4)
N40.3748 (3)0.47391 (13)0.13041 (9)0.0249 (4)
N50.1327 (3)0.39373 (13)0.24229 (9)0.0208 (4)
H50.067 (4)0.361 (2)0.2607 (14)0.033 (8)*
N60.1924 (3)0.15917 (12)0.02347 (10)0.0215 (4)
H60.251 (4)0.1801 (17)−0.0055 (15)0.031 (8)*
C10.5688 (3)0.66477 (15)0.04481 (12)0.0240 (5)
C20.6033 (3)0.79805 (15)0.13932 (10)0.0200 (4)
C30.4780 (3)0.67493 (13)0.23617 (11)0.0170 (4)
C40.4298 (3)0.54565 (14)0.13458 (10)0.0175 (4)
C50.5553 (3)0.21485 (16)0.23661 (12)0.0287 (5)
H5A0.49290.16780.26050.034*
H5B0.66490.22910.26260.034*
C60.5967 (3)0.18077 (16)0.16941 (13)0.0265 (5)
H6A0.65680.22800.14480.032*
H6B0.67450.12780.17390.032*
C70.4592 (3)0.09987 (15)0.07817 (11)0.0251 (5)
H7A0.52130.04410.09210.030*
H7B0.52890.13130.04560.030*
C80.2811 (3)0.07755 (15)0.04759 (11)0.0262 (5)
H8A0.29260.03520.01040.031*
H8B0.21090.04800.08090.031*
C90.0142 (3)0.14452 (17)−0.00443 (13)0.0305 (5)
H9A−0.05760.11760.02950.037*
H9B0.01610.1023−0.04220.037*
C10−0.0645 (3)0.23237 (17)−0.02739 (12)0.0305 (5)
H10A0.01040.2612−0.05950.037*
H10B−0.18110.2220−0.04950.037*
C11−0.1347 (3)0.37872 (16)0.01136 (12)0.0268 (5)
H11A−0.22670.3764−0.02490.032*
H11B−0.03510.4136−0.00410.032*
C12−0.2041 (3)0.42288 (17)0.07133 (12)0.0284 (5)
H12A−0.24630.48410.06000.034*
H12B−0.30290.38770.08720.034*
C13−0.1241 (3)0.46060 (16)0.18350 (12)0.0271 (5)
H13A−0.20260.41640.20300.033*
H13B−0.18930.51740.17600.033*
C140.0335 (3)0.47660 (15)0.23000 (11)0.0257 (5)
H14A0.10960.52210.21060.031*
H14B−0.00470.50040.27250.031*
C150.2917 (3)0.40898 (16)0.28449 (11)0.0261 (5)
H15A0.25940.43110.32830.031*
H15B0.36300.45590.26430.031*
C160.3982 (3)0.32446 (15)0.29356 (11)0.0258 (5)
H16A0.50340.33660.32280.031*
H16B0.32860.27750.31460.031*
U11U22U33U12U13U23
Ba10.01958 (6)0.01186 (6)0.01060 (6)−0.00094 (4)0.00280 (4)0.00008 (4)
Pt10.01580 (4)0.01269 (4)0.01157 (4)−0.00147 (3)0.00343 (3)−0.00084 (3)
O10.0295 (9)0.0185 (8)0.0160 (7)0.0012 (6)−0.0015 (6)−0.0014 (6)
O20.0250 (8)0.0182 (8)0.0213 (8)0.0018 (6)0.0009 (6)−0.0040 (6)
O30.0294 (9)0.0220 (8)0.0196 (8)0.0003 (7)−0.0030 (7)0.0013 (6)
O40.0240 (8)0.0266 (9)0.0224 (8)0.0054 (7)0.0017 (6)−0.0021 (7)
O50.050 (2)0.040 (2)0.048 (2)−0.0111 (19)0.008 (2)−0.0052 (19)
N10.0621 (16)0.0335 (12)0.0210 (11)−0.0269 (11)0.0185 (11)−0.0095 (9)
N20.0400 (12)0.0207 (10)0.0293 (11)−0.0052 (9)0.0132 (9)−0.0031 (8)
N30.0286 (11)0.0216 (10)0.0176 (10)0.0007 (8)0.0046 (8)−0.0011 (7)
N40.0339 (11)0.0202 (10)0.0215 (10)−0.0049 (8)0.0087 (8)−0.0026 (8)
N50.0300 (10)0.0161 (9)0.0170 (9)0.0001 (8)0.0068 (8)−0.0001 (7)
N60.0315 (11)0.0162 (9)0.0171 (9)−0.0034 (8)0.0029 (8)−0.0001 (7)
C10.0327 (13)0.0184 (11)0.0215 (12)−0.0098 (9)0.0072 (10)−0.0035 (8)
C20.0231 (11)0.0212 (11)0.0162 (10)−0.0025 (9)0.0067 (8)−0.0024 (8)
C30.0190 (10)0.0131 (10)0.0189 (11)−0.0016 (8)0.0016 (8)−0.0003 (8)
C40.0202 (10)0.0205 (11)0.0124 (9)−0.0008 (8)0.0057 (8)−0.0016 (8)
C50.0322 (13)0.0233 (12)0.0295 (13)0.0052 (10)−0.0076 (10)−0.0015 (10)
C60.0243 (12)0.0212 (12)0.0338 (14)0.0004 (9)−0.0005 (10)−0.0029 (10)
C70.0347 (13)0.0181 (11)0.0231 (11)0.0055 (9)0.0069 (10)−0.0046 (9)
C80.0403 (14)0.0146 (11)0.0234 (11)0.0002 (10)0.0014 (10)−0.0055 (9)
C90.0391 (14)0.0240 (12)0.0275 (13)−0.0070 (11)−0.0062 (11)−0.0067 (10)
C100.0369 (14)0.0306 (13)0.0229 (12)−0.0044 (11)−0.0086 (10)−0.0040 (10)
C110.0267 (12)0.0284 (13)0.0251 (12)0.0018 (10)−0.0015 (9)0.0053 (10)
C120.0268 (12)0.0293 (13)0.0289 (12)0.0051 (10)0.0009 (10)0.0056 (10)
C130.0304 (12)0.0226 (12)0.0294 (12)0.0074 (10)0.0107 (10)−0.0013 (10)
C140.0368 (13)0.0188 (11)0.0224 (11)0.0043 (10)0.0098 (10)−0.0034 (9)
C150.0419 (14)0.0229 (12)0.0137 (10)−0.0020 (10)0.0021 (9)−0.0047 (9)
C160.0376 (14)0.0245 (12)0.0148 (11)−0.0031 (10)−0.0035 (10)−0.0031 (9)
Ba1—O12.7831 (15)N6—C91.466 (3)
Ba1—O22.8062 (15)N6—H60.82 (3)
Ba1—O32.8261 (16)C5—C61.502 (3)
Ba1—O42.7980 (15)C5—H5A0.9900
Ba1—N1i2.814 (2)C5—H5B0.9900
Ba1—N3ii2.8896 (19)C6—H6A0.9900
Ba1—N42.8431 (19)C6—H6B0.9900
Ba1—N52.8671 (18)C7—C81.506 (3)
Ba1—N62.9291 (19)C7—H7A0.9900
Pt1—Pt1i7.5969 (4)C7—H7B0.9900
Pt1—Pt1iii7.6781 (4)C8—H8A0.9900
Pt1—C11.981 (2)C8—H8B0.9900
Pt1—C22.003 (2)C9—C101.503 (4)
Pt1—C31.995 (2)C9—H9A0.9900
Pt1—C41.985 (2)C9—H9B0.9900
O1—C51.430 (3)C10—H10A0.9900
O1—C161.442 (3)C10—H10B0.9900
O2—C61.424 (3)C11—C121.504 (3)
O2—C71.440 (3)C11—H11A0.9900
O3—C101.433 (3)C11—H11B0.9900
O3—C111.434 (3)C12—H12A0.9900
O4—C121.431 (3)C12—H12B0.9900
O4—C131.438 (3)C13—C141.509 (3)
O5—H5C0.990 (10)C13—H13A0.9900
O5—H5D0.989 (10)C13—H13B0.9900
N1—C11.145 (3)C14—H14A0.9900
N2—C21.148 (3)C14—H14B0.9900
N3—C31.153 (3)C15—C161.506 (3)
N4—C41.150 (3)C15—H15A0.9900
N5—C141.464 (3)C15—H15B0.9900
N5—C151.467 (3)C16—H16A0.9900
N5—H50.81 (3)C16—H16B0.9900
N6—C81.463 (3)
O1—Ba1—O4120.20 (4)N4—C4—Pt1178.3 (2)
O1—Ba1—O260.18 (4)O1—C5—C6109.86 (19)
O4—Ba1—O2168.59 (5)O1—C5—H5A109.7
O1—Ba1—N1i106.86 (6)C6—C5—H5A109.7
O4—Ba1—N1i108.01 (6)O1—C5—H5B109.7
O2—Ba1—N1i81.80 (6)C6—C5—H5B109.7
O1—Ba1—O3167.83 (5)H5A—C5—H5B108.2
O4—Ba1—O359.19 (5)O2—C6—C5108.1 (2)
O2—Ba1—O3117.70 (5)O2—C6—H6A110.1
N1i—Ba1—O384.06 (6)C5—C6—H6A110.1
O1—Ba1—N473.94 (5)O2—C6—H6B110.1
O4—Ba1—N475.43 (5)C5—C6—H6B110.1
O2—Ba1—N4114.32 (5)H6A—C6—H6B108.4
N1i—Ba1—N468.93 (6)O2—C7—C8108.08 (18)
O3—Ba1—N4115.93 (5)O2—C7—H7A110.1
O1—Ba1—N561.12 (5)C8—C7—H7A110.1
O4—Ba1—N560.30 (5)O2—C7—H7B110.1
O2—Ba1—N5116.33 (5)C8—C7—H7B110.1
N1i—Ba1—N5138.01 (6)H7A—C7—H7B108.4
O3—Ba1—N5114.31 (5)N6—C8—C7110.40 (19)
N4—Ba1—N569.08 (5)N6—C8—H8A109.6
O1—Ba1—N3ii77.91 (5)C7—C8—H8A109.6
O4—Ba1—N3ii93.95 (5)N6—C8—H8B109.6
O2—Ba1—N3ii74.83 (5)C7—C8—H8B109.6
N1i—Ba1—N3ii149.73 (6)H8A—C8—H8B108.1
O3—Ba1—N3ii89.94 (5)N6—C9—C10109.8 (2)
N4—Ba1—N3ii138.73 (5)N6—C9—H9A109.7
N5—Ba1—N3ii71.06 (5)C10—C9—H9A109.7
O1—Ba1—N6119.68 (5)N6—C9—H9B109.7
O4—Ba1—N6118.65 (5)C10—C9—H9B109.7
O2—Ba1—N659.51 (5)H9A—C9—H9B108.2
N1i—Ba1—N665.19 (6)O3—C10—C9108.59 (19)
O3—Ba1—N659.47 (5)O3—C10—H10A110.0
N4—Ba1—N6134.12 (5)C9—C10—H10A110.0
N5—Ba1—N6156.79 (6)O3—C10—H10B110.0
N3ii—Ba1—N686.21 (5)C9—C10—H10B110.0
C1—Pt1—C287.61 (9)H10A—C10—H10B108.4
C1—Pt1—C3177.97 (10)O3—C11—C12108.50 (19)
C1—Pt1—C489.54 (8)O3—C11—H11A110.0
C3—Pt1—C292.50 (8)C12—C11—H11A110.0
C4—Pt1—C2176.47 (9)O3—C11—H11B110.0
C4—Pt1—C390.42 (8)C12—C11—H11B110.0
C5—O1—C16110.98 (17)H11A—C11—H11B108.4
C5—O1—Ba1117.88 (12)O4—C12—C11108.26 (19)
C16—O1—Ba1118.79 (13)O4—C12—H12A110.0
C6—O2—C7113.74 (17)C11—C12—H12A110.0
C6—O2—Ba1111.50 (12)O4—C12—H12B110.0
C7—O2—Ba1119.14 (13)C11—C12—H12B110.0
C10—O3—C11112.75 (17)H12A—C12—H12B108.4
C10—O3—Ba1118.66 (13)O4—C13—C14108.62 (18)
C11—O3—Ba1107.88 (13)O4—C13—H13A110.0
C12—O4—C13112.47 (17)C14—C13—H13A110.0
C12—O4—Ba1119.92 (13)O4—C13—H13B110.0
C13—O4—Ba1119.74 (13)C14—C13—H13B110.0
H5C—O5—H5D104 (3)H13A—C13—H13B108.3
C1—N1—Ba1i158.2 (2)N5—C14—C13111.34 (19)
C3—N3—Ba1iv135.06 (16)N5—C14—H14A109.4
C4—N4—Ba1174.69 (17)C13—C14—H14A109.4
C14—N5—C15112.09 (18)N5—C14—H14B109.4
C14—N5—Ba1112.29 (13)C13—C14—H14B109.4
C15—N5—Ba1111.39 (13)H14A—C14—H14B108.0
C14—N5—H5105 (2)N5—C15—C16111.70 (18)
C15—N5—H5110 (2)N5—C15—H15A109.3
Ba1—N5—H5106 (2)C16—C15—H15A109.3
C8—N6—C9114.29 (18)N5—C15—H15B109.3
C8—N6—Ba1112.42 (13)C16—C15—H15B109.3
C9—N6—Ba1111.89 (14)H15A—C15—H15B107.9
C8—N6—H6107 (2)O1—C16—C15109.27 (18)
C9—N6—H6109 (2)O1—C16—H16A109.8
Ba1—N6—H6101.8 (19)C15—C16—H16A109.8
N1—C1—Pt1177.6 (2)O1—C16—H16B109.8
N2—C2—Pt1177.15 (19)C15—C16—H16B109.8
N3—C3—Pt1178.6 (2)H16A—C16—H16B108.3
O4—Ba1—O1—C5162.79 (15)N6—Ba1—O4—C13142.47 (15)
O2—Ba1—O1—C5−4.04 (14)O1—Ba1—N5—C14146.68 (17)
N1i—Ba1—O1—C5−73.83 (16)O4—Ba1—N5—C14−20.73 (14)
O3—Ba1—O1—C579.3 (3)O2—Ba1—N5—C14171.63 (14)
N4—Ba1—O1—C5−135.26 (16)N1i—Ba1—N5—C1463.44 (19)
N5—Ba1—O1—C5150.13 (17)O3—Ba1—N5—C14−45.94 (16)
N3ii—Ba1—O1—C575.26 (15)N4—Ba1—N5—C1464.00 (15)
N6—Ba1—O1—C5−3.21 (17)N3ii—Ba1—N5—C14−126.96 (16)
O4—Ba1—O1—C1623.94 (15)N6—Ba1—N5—C14−114.77 (18)
O2—Ba1—O1—C16−142.89 (15)O1—Ba1—N5—C1520.02 (13)
N1i—Ba1—O1—C16147.32 (14)O4—Ba1—N5—C15−147.39 (16)
O3—Ba1—O1—C16−59.6 (3)O2—Ba1—N5—C1544.97 (15)
N4—Ba1—O1—C1685.89 (14)N1i—Ba1—N5—C15−63.22 (18)
N5—Ba1—O1—C1611.28 (14)O3—Ba1—N5—C15−172.60 (13)
N3ii—Ba1—O1—C16−63.59 (14)N4—Ba1—N5—C15−62.66 (14)
N6—Ba1—O1—C16−142.06 (14)N3ii—Ba1—N5—C15106.38 (15)
O1—Ba1—O2—C6−28.85 (14)N6—Ba1—N5—C15118.57 (17)
O4—Ba1—O2—C6−124.0 (2)O1—Ba1—N6—C816.47 (17)
N1i—Ba1—O2—C686.00 (15)O4—Ba1—N6—C8−149.75 (14)
O3—Ba1—O2—C6164.83 (14)O2—Ba1—N6—C817.30 (14)
N4—Ba1—O2—C623.63 (15)N1i—Ba1—N6—C8112.45 (17)
N5—Ba1—O2—C6−54.05 (15)O3—Ba1—N6—C8−149.49 (17)
N3ii—Ba1—O2—C6−113.42 (15)N4—Ba1—N6—C8112.74 (15)
N6—Ba1—O2—C6151.98 (16)N5—Ba1—N6—C8−68.9 (2)
O1—Ba1—O2—C7−164.49 (16)N3ii—Ba1—N6—C8−57.32 (15)
O4—Ba1—O2—C7100.3 (3)O1—Ba1—N6—C9146.66 (14)
N1i—Ba1—O2—C7−49.64 (15)O4—Ba1—N6—C9−19.55 (17)
O3—Ba1—O2—C729.19 (16)O2—Ba1—N6—C9147.49 (17)
N4—Ba1—O2—C7−112.01 (15)N1i—Ba1—N6—C9−117.35 (17)
N5—Ba1—O2—C7170.31 (14)O3—Ba1—N6—C9−19.29 (14)
N3ii—Ba1—O2—C7110.94 (15)N4—Ba1—N6—C9−117.06 (16)
N6—Ba1—O2—C716.34 (14)N5—Ba1—N6—C961.3 (2)
O1—Ba1—O3—C10−104.1 (2)N3ii—Ba1—N6—C972.88 (15)
O4—Ba1—O3—C10165.23 (17)C16—O1—C5—C6176.36 (19)
O2—Ba1—O3—C10−27.36 (16)Ba1—O1—C5—C634.5 (2)
N1i—Ba1—O3—C1050.13 (16)C7—O2—C6—C5−163.08 (18)
N4—Ba1—O3—C10113.22 (15)Ba1—O2—C6—C558.8 (2)
N5—Ba1—O3—C10−169.25 (15)O1—C5—C6—O2−62.2 (2)
N3ii—Ba1—O3—C10−100.14 (16)C6—O2—C7—C8178.29 (19)
N6—Ba1—O3—C10−14.51 (15)Ba1—O2—C7—C8−47.0 (2)
O1—Ba1—O3—C11126.2 (2)C9—N6—C8—C7−177.3 (2)
O4—Ba1—O3—C1135.48 (12)Ba1—N6—C8—C7−48.3 (2)
O2—Ba1—O3—C11−157.11 (12)O2—C7—C8—N662.9 (2)
N1i—Ba1—O3—C11−79.61 (13)C8—N6—C9—C10179.8 (2)
N4—Ba1—O3—C11−16.52 (14)Ba1—N6—C9—C1050.6 (2)
N5—Ba1—O3—C1161.00 (14)C11—O3—C10—C9173.3 (2)
N3ii—Ba1—O3—C11130.11 (13)Ba1—O3—C10—C945.8 (2)
N6—Ba1—O3—C11−144.25 (14)N6—C9—C10—O3−64.2 (3)
O1—Ba1—O4—C12−170.45 (14)C10—O3—C11—C12161.05 (19)
O2—Ba1—O4—C12−81.9 (3)Ba1—O3—C11—C12−65.97 (19)
N1i—Ba1—O4—C1266.73 (16)C13—O4—C12—C11−174.38 (19)
O3—Ba1—O4—C12−4.57 (14)Ba1—O4—C12—C11−25.4 (2)
N4—Ba1—O4—C12128.36 (16)O3—C11—C12—O461.3 (2)
N5—Ba1—O4—C12−157.69 (17)C12—O4—C13—C14−171.16 (19)
N3ii—Ba1—O4—C12−92.14 (15)Ba1—O4—C13—C1439.8 (2)
N6—Ba1—O4—C12−4.31 (17)C15—N5—C14—C13176.85 (18)
O1—Ba1—O4—C13−23.67 (17)Ba1—N5—C14—C1350.6 (2)
O2—Ba1—O4—C1364.9 (3)O4—C13—C14—N5−59.8 (2)
N1i—Ba1—O4—C13−146.49 (15)C14—N5—C15—C16−176.63 (19)
O3—Ba1—O4—C13142.21 (16)Ba1—N5—C15—C16−49.9 (2)
N4—Ba1—O4—C13−84.86 (15)C5—O1—C16—C15178.20 (19)
N5—Ba1—O4—C13−10.91 (15)Ba1—O1—C16—C15−40.3 (2)
N3ii—Ba1—O4—C1354.64 (16)N5—C15—C16—O160.5 (2)
D—H···AD—HH···AD···AD—H···A
O5—H5C···N20.99 (1)2.09 (4)2.934 (5)142 (5)
O5—H5D···N3v0.99 (1)2.18 (1)3.159 (4)171 (5)
N6—H6···N1i0.82 (3)2.60 (3)3.096 (3)121 (2)
Ba1—O12.7831 (15)
Ba1—O22.8062 (15)
Ba1—O32.8261 (16)
Ba1—O42.7980 (15)
Ba1—N1i2.814 (2)
Ba1—N3ii2.8896 (19)
Ba1—N42.8431 (19)
Ba1—N52.8671 (18)
Ba1—N62.9291 (19)
Pt1—C11.981 (2)
Pt1—C22.003 (2)
Pt1—C31.995 (2)
Pt1—C41.985 (2)
C1—Pt1—C287.61 (9)
C1—Pt1—C3177.97 (10)
C1—Pt1—C489.54 (8)
C3—Pt1—C292.50 (8)
C4—Pt1—C2176.47 (9)
C4—Pt1—C390.42 (8)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
O5—H5C⋯N20.990 (10)2.09 (4)2.934 (5)142 (5)
O5—H5D⋯N3iv0.989 (10)2.179 (14)3.159 (4)171 (5)
N6—H6⋯N1i0.82 (3)2.60 (3)3.096 (3)121 (2)

Symmetry codes: (i) ; (iv) .

  1 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

  1 in total
  1 in total

1.  Crystal structure of [K(18-crown-6)]+ 2[Pt(CN)4]2.

Authors:  Malte Sellin; Moritz Malischewski
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2019-11-15
  1 in total

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