catena-Poly[[[diaqua­(nitrato-κ2O,O′)(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)ytterbium(III)]-μ-cyanido-κ2N:C-[dicyanido­platinum(II)]-μ-cyanido-κ2C:N] acetonitrile monosolvate]

Smith, P.A.; Stojanovic, M.; Sykora, R.E.

doi:10.1107/S1600536810047380

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 12| December 2010| Pages m1619-m1620

https://doi.org/10.1107/S1600536810047380

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catena-Poly[[[diaqua(nitrato-κ²O,O′)(2,2′:6′,2′′-terpyridine-κ³N,N′,N′′)ytterbium(III)]-μ-cyanido-κ²N:C-[dicyanidoplatinum(II)]-μ-cyanido-κ²C:N] acetonitrile monosolvate]

Philip A. Smith,^a Milorad Stojanovic ^a and Richard E. Sykora ^a ^*

^aDepartment of Chemistry, University of South Alabama, Mobile, AL 36688-0002, USA
^*Correspondence e-mail: rsykora@jaguar1.usouthal.edu

(Received 28 October 2010; accepted 15 November 2010; online 20 November 2010)

The title compound, {[PtYb(CN)₄(NO₃)(C₁₅H₁₁N₃)(H₂O)₂]·CH₃CN}_n, was isolated from solution as a one-dimensional coordination polymer. The Yb³⁺ site has ninefold coordination with a distorted tricapped trigonal–prismatic geometry, while the Pt^II ion is coordinated by four cyanide groups in an almost regular square-planar geometry. cis-Bridging by the tetracyanidoplatinate(II) anions links the Yb³⁺ cations, forming chains. Additionally, each Yb³⁺ is coordinated by two water molecules, one bidentate nitrate anion, and one tridentate 2,2′:6′,2′′-terpyridine molecule. O—H⋯N hydrogen-bonding interactions are found between adjacent chains and help to consolidate the crystal packing. In addition, π–π stacking interactions exist between the terpyridine ligand and the two corresponding terpyridine ligands along the adjacent chain (average interplanar distance = 3.667 Å). Moderate Pt⋯Pt interactions [3.5033 (4) Å] are observed in the structure.

Related literature

For related lanthanide tetracyanidoplatinate structures containing 2,2′:6′,2′′- terpyridine, see: Maynard et al. (2008 , 2010 ); Maynard, Smith, Ladner et al. (2009 ); Maynard, Smith & Sykora (2009 ). For structural and spectroscopic information on additional lanthanide tetracyanidoplatinates, see: Gliemann & Yersin (1985 ). For luminescence data on lanthanide terpyridine systems, see: Mukkala et al. (1995 ).

Experimental

Crystal data

[PtYb(CN)₄(NO₃)(C₁₅H₁₁N₃)(H₂O)₂]·C₂H₃N
M_r = 844.57
Triclinic, $[P \overline 1]$
a = 9.0810 (3) Å
b = 10.1939 (3) Å
c = 14.4718 (6) Å
α = 79.083 (3)°
β = 72.689 (3)°
γ = 78.660 (3)°
V = 1241.70 (8) Å³
Z = 2
Mo Kα radiation
μ = 9.42 mm⁻¹
T = 290 K
0.49 × 0.31 × 0.27 mm

Data collection

Oxford Diffraction Xcalibur E diffractometer
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2010 $[Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England]$ ) T_min = 0.249, T_max = 1.00
9396 measured reflections
4701 independent reflections
4049 reflections with I > 2σ(I)
R_int = 0.023

Refinement

R[F² > 2σ(F²)] = 0.024
wR(F²) = 0.059
S = 1.07
4701 reflections
336 parameters
H-atom parameters constrained
Δρ_max = 1.73 e Å⁻³
Δρ_min = −1.37 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H4A⋯N9	0.85	2.07	2.868 (7)	156.5
O4—H4B⋯N3ⁱ	0.85	2.28	3.125 (6)	169.6
O5—H5A⋯N3ⁱⁱ	0.85	1.96	2.802 (6)	170.4
O5—H5B⋯N4ⁱⁱⁱ	0.85	2.00	2.842 (6)	172.7
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y+1, -z; (iii) -x+2, -y+1, -z.

Data collection: CrysAlis PRO (Oxford Diffraction, 2010 $[Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England]$ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810047380/nc2203sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810047380/nc2203Isup2.hkl

checkCIF report

Comment top

One of our research goals is to prepare systems in which weak Ln³⁺ emissions are enhanced through the use of sensitizing ligands. Recent efforts in our lab have focused on lanthanide compounds that incorporate both tetracyanidoplatinate(II) anions (TCP) and 2,2':6',2''-terpyridine (tpy), to achieve this goal (Maynard et al., 2008; Maynard, Smith, Ladner et al., 2009), since both of these ligands are known sensitizers for Ln³⁺ (Gliemann & Yersin, 1985; Mukkala et al., 1995). We have also reported the structures of several related compounds (Maynard et al., 2010; Maynard, Smith & Sykora, 2009).

The title compound is a cocrystal similar to several previously reported compounds in that it contains one-dimensional [Yb(C₁₅H₁₁N₃)(H₂O)₂(NO₃)Pt(CN)₄]_n chains similar to those found in Eu(C₁₅H₁₁N₃)(H₂O)₂(NO₃)Pt(CN)₄].CH₃CN (Maynard et al., 2008), [Nd(C₁₅H₁₁N₃)(H₂O)₂(NO₃)Pt(CN)₄].CH₃CN.0.5C₁₅H₁₁N₃ (Maynard, Smith & Sykora, 2009)), and Yb(C₁₅H₁₁N₃)(H₂O)₂(NO₃)Pt(CN)₄].0.5CH₃CN.1.5H₂O (Maynard et al., 2010). The major structural differences can be attributed to the crystallization of solvent or guest molecules between the 1—D chains. While the formulae of the title compound and Eu(C₁₅H₁₁N₃)(H₂O)₂(NO₃)Pt(CN)₄].CH₃CN appear similar, the compounds are not true isomorphs due to different packing arrangements.

The neutral, 1—D [Yb(C₁₅H₁₁N₃)(H₂O)₂(NO₃)(Pt(CN)₄)]_n chains in the structure of the title compound are illustrated in Figure 1 and a thermal ellipsoid plot is shown in Figure 2. The chains are formed by the linkage of the Yb³⁺ cations by cis-bridging TCP. The coordination of Yb1 is ninefold and is best described as a distorted [YbO₄N₅] tri-capped trigonal prism.

The packing diagram of the title compound along the a axis is shown in Figure 3. There are two dominant inter-chain features that exist in the compound: those of Pi-stacking interactions whose inter-planar distances average 3.667 Å, and Pt···Pt interactions of 3.5033 (4) Å. These former interactions are between the coordinated tpy of one chain and the tpy of the adjacent chain, overlapping one-two rings from the inversely directed tpy ligands that resideon opposite sides of the adjacent chains, thus bringing them into partial alignment. This situation is unlike that in [Eu(C₁₅H₁₁N₃)(H₂O)₂(NO₃)Pt(CN)₄].CH₃CN, where the tpy ligands are not all unidirectional along the chain, as they are in the title compound, but instead flip nearly 180° with each successive cation. The dimeric Pt···Pt interactions occur between parallel TCP ligands on adjacent chains, opposite that of the tpy Pi-stacking interactions. Additional features for the title compound include channels along the a axis that contain acetonitrile solvate molecules (hydrogen bound to water) and additional inter-chain O—H···N h-bonding interactions between water molcules and TCP anions of neighboring chains (Table 1).

Related literature top

For related lanthanide tetracyanidoplatinate structures containing 2,2':6',2''- terpyridine, see: Maynard et al. (2008, 2010); Maynard, Smith, Ladner et al. (2009); Maynard, Smith & Sykora (2009). For structural and spectroscopic information on additional lanthanide tetracyanidoplatinates, see: Gliemann & Yersin (1985). For luminescence data on lanthanide terpyridine systems, see: Mukkala et al. (1995).

Experimental top

Yb(NO₃)₃.6H₂O (Strem, 99.9%), K₂Pt(CN)₄.3H₂O (Alfa Aesar, 99.9%), and 2,2':6',2''-terpyridine (tpy) (Aldrich, 98%) were used as received without further purification. The reaction proceeded by reacting a 1:1:1 molar ratio of reactants: 1 ml of a 0.10 M solution of Yb(NO₃)₃ was mixed with 1 ml of a 0.10 M solution of Pt(CN)₄^2– followed by layering of 1 ml of 0.10 M tpy. The tpy and Yb³⁺ solutions were prepared in acetonitrile, whereas the Pt(CN)₄^2– solution was prepared using acetonitrile, with drop-wise addition of H₂O until the K₂Pt(CN)₄.3H₂O was completely dissolved. Slow evaporation of the solvents over a period of 1–2 weeks resulted in the crystallization of the title compound as colorless prisms in a yield of 46%.

Structure description top

Computing details top

Data collection: CrysAlis PRO (Oxford Diffraction, 2010); cell refinement: CrysAlis PRO (Oxford Diffraction, 2010); data reduction: CrysAlis PRO (Oxford Diffraction, 2010); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

	Fig. 1. A representation of the 1—D chains that extend along the a axis in the title compound.
	Fig. 2. A thermal ellipsoid plot of the title compound with the atom-numbering scheme. Displacement ellipsoids for non-hydrogen atoms are drawn at the 50% probability level. H-atoms are shown as spheres of arbitrary size. Symmetry code: (i) x + 1, y, z.
	Fig. 3. A packing diagram for the title compound viewed along the a axis, the direction parallel to the 1—D chains. H-bonding interactions are shown by the dashed lines.

catena-Poly[[[diaqua(nitrato-κ²O,O')(2,2':6',2''- terpyridine-κ³N,N',N'')ytterbium(III)]-µ-cyanido- κ²N:C-[dicyanidoplatinum(II)]-µ-cyanido- κ²C:N] acetonitrile monosolvate] top

Crystal data top

[PtYb(CN)₄(NO₃)(C₁₅H₁₁N₃)(H₂O)₂]·C₂H₃N	Z = 2
M_r = 844.57	F(000) = 790
Triclinic, P1	D_x = 2.259 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.0810 (3) Å	Cell parameters from 8297 reflections
b = 10.1939 (3) Å	θ = 3.1–25.6°
c = 14.4718 (6) Å	µ = 9.42 mm⁻¹
α = 79.083 (3)°	T = 290 K
β = 72.689 (3)°	Prism, colorless
γ = 78.660 (3)°	0.49 × 0.31 × 0.27 mm
V = 1241.70 (8) Å³

Data collection top

Oxford Diffraction Xcalibur E diffractometer	4701 independent reflections
Radiation source: fine-focus sealed tube	4049 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.023
Detector resolution: 16.0514 pixels mm^-1	θ_max = 25.7°, θ_min = 3.1°
ω scans	h = −7→11
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2010)	k = −12→12
T_min = 0.249, T_max = 1.00	l = −16→17
9396 measured reflections

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.024	H-atom parameters constrained
wR(F²) = 0.059	w = 1/[σ²(F_o²) + (0.0345P)²] where P = (F_o² + 2F_c²)/3
S = 1.07	(Δ/σ)_max = 0.001
4701 reflections	Δρ_max = 1.73 e Å⁻³
336 parameters	Δρ_min = −1.37 e Å⁻³
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00308 (18)

Crystal data top

[PtYb(CN)₄(NO₃)(C₁₅H₁₁N₃)(H₂O)₂]·C₂H₃N	γ = 78.660 (3)°
M_r = 844.57	V = 1241.70 (8) Å³
Triclinic, P1	Z = 2
a = 9.0810 (3) Å	Mo Kα radiation
b = 10.1939 (3) Å	µ = 9.42 mm⁻¹
c = 14.4718 (6) Å	T = 290 K
α = 79.083 (3)°	0.49 × 0.31 × 0.27 mm
β = 72.689 (3)°

Data collection top

Oxford Diffraction Xcalibur E diffractometer	4701 independent reflections
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2010)	4049 reflections with I > 2σ(I)
T_min = 0.249, T_max = 1.00	R_int = 0.023
9396 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.024	0 restraints
wR(F²) = 0.059	H-atom parameters constrained
S = 1.07	Δρ_max = 1.73 e Å⁻³
4701 reflections	Δρ_min = −1.37 e Å⁻³
336 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Yb1	0.92271 (2)	0.322575 (18)	0.273932 (13)	0.01623 (8)
Pt1	0.435115 (18)	0.553063 (17)	0.115578 (12)	0.01752 (7)
C1	0.5961 (5)	0.4697 (5)	0.1840 (3)	0.0208 (10)
C2	0.2881 (5)	0.4280 (5)	0.1947 (3)	0.0222 (10)
C3	0.2702 (5)	0.6376 (5)	0.0495 (3)	0.0222 (10)
C4	0.5788 (6)	0.6826 (5)	0.0358 (4)	0.0262 (11)
C5	0.6801 (6)	0.5675 (5)	0.3990 (4)	0.0290 (12)
H5	0.6560	0.5923	0.3394	0.035*
C6	0.5988 (6)	0.6420 (5)	0.4742 (4)	0.0347 (13)
H6	0.5235	0.7156	0.4647	0.042*
C7	0.6317 (7)	0.6050 (6)	0.5630 (4)	0.0413 (15)
H7	0.5789	0.6526	0.6150	0.050*
C8	0.7439 (6)	0.4963 (6)	0.5732 (4)	0.0349 (13)
H8	0.7667	0.4691	0.6332	0.042*
C9	0.8235 (5)	0.4269 (5)	0.4960 (3)	0.0222 (11)
C10	0.9491 (5)	0.3122 (5)	0.5027 (3)	0.0236 (11)
C11	1.0075 (6)	0.2769 (6)	0.5838 (4)	0.0337 (13)
H11	0.9669	0.3254	0.6364	0.040*
C12	1.1257 (7)	0.1696 (6)	0.5862 (4)	0.0387 (14)
H12	1.1661	0.1452	0.6401	0.046*
C13	1.1823 (6)	0.1004 (5)	0.5088 (4)	0.0338 (13)
H13	1.2636	0.0288	0.5086	0.041*
C14	1.1188 (5)	0.1363 (5)	0.4292 (4)	0.0230 (11)
C15	1.1671 (5)	0.0578 (5)	0.3465 (4)	0.0243 (11)
C16	1.2804 (6)	−0.0557 (5)	0.3421 (5)	0.0390 (14)
H16	1.3341	−0.0816	0.3898	0.047*
C17	1.3126 (7)	−0.1298 (6)	0.2663 (5)	0.0510 (17)
H17	1.3889	−0.2057	0.2621	0.061*
C18	1.2322 (8)	−0.0915 (6)	0.1978 (5)	0.0464 (16)
H18	1.2510	−0.1417	0.1470	0.056*
C19	1.1228 (7)	0.0226 (5)	0.2048 (4)	0.0364 (13)
H19	1.0689	0.0495	0.1572	0.044*
C20	0.7057 (9)	0.9079 (7)	0.1599 (5)	0.0537 (17)
C21	0.6432 (11)	1.0314 (7)	0.1050 (6)	0.076 (3)
H21A	0.7216	1.0895	0.0790	0.114*
H21B	0.5537	1.0770	0.1478	0.114*
H21C	0.6134	1.0085	0.0525	0.114*
N1	0.6910 (5)	0.4234 (4)	0.2230 (3)	0.0305 (10)
N2	0.1890 (5)	0.3662 (4)	0.2380 (3)	0.0250 (9)
N3	0.1670 (5)	0.6804 (5)	0.0164 (3)	0.0359 (11)
N4	0.6653 (5)	0.7528 (5)	−0.0099 (3)	0.0381 (12)
N5	0.7917 (4)	0.4617 (4)	0.4075 (3)	0.0223 (9)
N6	1.0054 (4)	0.2434 (4)	0.4258 (3)	0.0196 (8)
N7	1.0901 (4)	0.0980 (4)	0.2785 (3)	0.0232 (9)
N8	0.6955 (5)	0.1430 (4)	0.3293 (3)	0.0285 (10)
N9	0.7471 (9)	0.8127 (6)	0.2038 (5)	0.0695 (18)
O1	0.7876 (4)	0.1492 (4)	0.2458 (3)	0.0356 (9)
O2	0.7216 (4)	0.2084 (3)	0.3877 (2)	0.0278 (8)
O3	0.5860 (5)	0.0800 (4)	0.3544 (3)	0.0509 (12)
O4	0.9449 (4)	0.5562 (4)	0.2090 (3)	0.0386 (10)
H4A	0.8668	0.6185	0.2186	0.058*
H4B	1.0057	0.5805	0.1537	0.058*
O5	1.0152 (4)	0.3114 (4)	0.1110 (2)	0.0325 (9)
H5A	0.9568	0.3053	0.0762	0.049*
H5B	1.1114	0.2996	0.0806	0.049*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Yb1	0.01534 (11)	0.01848 (12)	0.01563 (12)	−0.00102 (8)	−0.00609 (8)	−0.00271 (8)
Pt1	0.01570 (10)	0.01992 (11)	0.01880 (11)	−0.00175 (7)	−0.00724 (7)	−0.00400 (8)
C1	0.015 (2)	0.027 (3)	0.022 (3)	−0.0023 (19)	−0.009 (2)	−0.003 (2)
C2	0.023 (2)	0.024 (3)	0.022 (3)	0.002 (2)	−0.014 (2)	−0.003 (2)
C3	0.025 (2)	0.024 (3)	0.020 (3)	−0.005 (2)	−0.009 (2)	−0.001 (2)
C4	0.024 (2)	0.031 (3)	0.026 (3)	−0.001 (2)	−0.007 (2)	−0.012 (2)
C5	0.031 (3)	0.029 (3)	0.028 (3)	−0.004 (2)	−0.008 (2)	−0.007 (2)
C6	0.027 (3)	0.027 (3)	0.046 (4)	0.001 (2)	−0.002 (2)	−0.016 (3)
C7	0.042 (3)	0.040 (3)	0.037 (3)	−0.008 (3)	0.009 (3)	−0.024 (3)
C8	0.038 (3)	0.043 (3)	0.023 (3)	−0.010 (3)	0.000 (2)	−0.011 (2)
C9	0.024 (2)	0.024 (3)	0.020 (3)	−0.011 (2)	−0.004 (2)	−0.004 (2)
C10	0.027 (2)	0.024 (3)	0.022 (3)	−0.009 (2)	−0.007 (2)	−0.001 (2)
C11	0.046 (3)	0.044 (3)	0.016 (3)	−0.017 (3)	−0.012 (2)	−0.001 (2)
C12	0.053 (4)	0.042 (3)	0.033 (3)	−0.016 (3)	−0.032 (3)	0.010 (3)
C13	0.038 (3)	0.031 (3)	0.037 (3)	−0.004 (2)	−0.023 (3)	0.004 (3)
C14	0.024 (2)	0.019 (2)	0.029 (3)	−0.0081 (19)	−0.013 (2)	0.004 (2)
C15	0.023 (2)	0.017 (2)	0.036 (3)	−0.0053 (19)	−0.013 (2)	−0.001 (2)
C16	0.035 (3)	0.030 (3)	0.054 (4)	0.007 (2)	−0.021 (3)	−0.006 (3)
C17	0.037 (3)	0.030 (3)	0.077 (5)	0.010 (3)	−0.008 (3)	−0.014 (3)
C18	0.052 (4)	0.032 (3)	0.051 (4)	0.002 (3)	−0.004 (3)	−0.019 (3)
C19	0.047 (3)	0.029 (3)	0.032 (3)	0.001 (3)	−0.009 (3)	−0.009 (2)
C20	0.073 (5)	0.045 (4)	0.054 (4)	−0.009 (4)	−0.032 (4)	−0.011 (3)
C21	0.126 (7)	0.042 (4)	0.077 (6)	−0.023 (5)	−0.060 (5)	0.013 (4)
N1	0.026 (2)	0.038 (3)	0.028 (2)	−0.005 (2)	−0.0088 (19)	−0.002 (2)
N2	0.025 (2)	0.029 (2)	0.024 (2)	−0.0059 (18)	−0.0107 (18)	−0.0006 (19)
N3	0.033 (2)	0.049 (3)	0.029 (3)	−0.002 (2)	−0.017 (2)	−0.003 (2)
N4	0.036 (3)	0.042 (3)	0.037 (3)	−0.016 (2)	−0.003 (2)	−0.006 (2)
N5	0.027 (2)	0.020 (2)	0.021 (2)	−0.0055 (17)	−0.0051 (17)	−0.0056 (17)
N6	0.0231 (19)	0.019 (2)	0.018 (2)	−0.0045 (16)	−0.0079 (16)	−0.0003 (16)
N7	0.024 (2)	0.018 (2)	0.029 (2)	0.0002 (16)	−0.0091 (18)	−0.0072 (17)
N8	0.023 (2)	0.025 (2)	0.038 (3)	−0.0027 (18)	−0.012 (2)	−0.001 (2)
N9	0.110 (5)	0.040 (3)	0.065 (4)	0.006 (3)	−0.046 (4)	−0.005 (3)
O1	0.0312 (19)	0.041 (2)	0.038 (2)	−0.0078 (17)	−0.0063 (18)	−0.0178 (18)
O2	0.0313 (18)	0.0274 (19)	0.0269 (19)	−0.0089 (15)	−0.0072 (16)	−0.0053 (16)
O3	0.038 (2)	0.054 (3)	0.068 (3)	−0.029 (2)	−0.012 (2)	−0.008 (2)
O4	0.0292 (19)	0.025 (2)	0.048 (2)	−0.0009 (16)	0.0019 (17)	0.0051 (18)
O5	0.0223 (17)	0.058 (2)	0.0196 (18)	−0.0038 (17)	−0.0087 (15)	−0.0094 (17)

Geometric parameters (Å, º) top

Yb1—O5	2.272 (3)	C11—C12	1.377 (8)
Yb1—O2	2.392 (3)	C11—H11	0.9300
Yb1—N1	2.411 (4)	C12—C13	1.353 (8)
Yb1—O4	2.413 (3)	C12—H12	0.9300
Yb1—N2ⁱ	2.430 (4)	C13—C14	1.394 (7)
Yb1—N6	2.473 (4)	C13—H13	0.9300
Yb1—N5	2.484 (4)	C14—N6	1.350 (6)
Yb1—N7	2.488 (4)	C14—C15	1.476 (7)
Yb1—O1	2.494 (4)	C15—N7	1.330 (6)
Yb1—N8	2.863 (4)	C15—C16	1.387 (7)
Pt1—C1	1.973 (5)	C16—C17	1.377 (9)
Pt1—C2	1.981 (5)	C16—H16	0.9300
Pt1—C3	1.983 (5)	C17—C18	1.356 (9)
Pt1—C4	1.996 (5)	C17—H17	0.9300
C1—N1	1.146 (6)	C18—C19	1.371 (8)
C2—N2	1.156 (6)	C18—H18	0.9300
C3—N3	1.151 (6)	C19—N7	1.360 (7)
C4—N4	1.140 (6)	C19—H19	0.9300
C5—N5	1.341 (6)	C20—N9	1.118 (8)
C5—C6	1.386 (7)	C20—C21	1.465 (9)
C5—H5	0.9300	C21—H21A	0.9600
C6—C7	1.371 (8)	C21—H21B	0.9600
C6—H6	0.9300	C21—H21C	0.9600
C7—C8	1.368 (8)	N2—Yb1ⁱⁱ	2.430 (4)
C7—H7	0.9300	N8—O3	1.217 (5)
C8—C9	1.375 (7)	N8—O1	1.247 (5)
C8—H8	0.9300	N8—O2	1.269 (5)
C9—N5	1.363 (6)	O4—H4A	0.8500
C9—C10	1.475 (7)	O4—H4B	0.8500
C10—N6	1.345 (6)	O5—H5A	0.8499
C10—C11	1.387 (7)	O5—H5B	0.8500

O5—Yb1—O2	126.83 (12)	C9—C8—H8	119.6
O5—Yb1—N1	80.34 (13)	N5—C9—C8	121.5 (5)
O2—Yb1—N1	75.96 (13)	N5—C9—C10	115.8 (4)
O5—Yb1—O4	78.62 (14)	C8—C9—C10	122.7 (5)
O2—Yb1—O4	134.27 (12)	N6—C10—C11	121.3 (5)
N1—Yb1—O4	71.99 (14)	N6—C10—C9	116.7 (4)
O5—Yb1—N2ⁱ	77.33 (13)	C11—C10—C9	122.0 (5)
O2—Yb1—N2ⁱ	145.37 (13)	C12—C11—C10	119.8 (5)
N1—Yb1—N2ⁱ	137.41 (13)	C12—C11—H11	120.1
O4—Yb1—N2ⁱ	68.35 (13)	C10—C11—H11	120.1
O5—Yb1—N6	139.51 (12)	C13—C12—C11	118.9 (5)
O2—Yb1—N6	72.88 (12)	C13—C12—H12	120.6
N1—Yb1—N6	139.64 (14)	C11—C12—H12	120.6
O4—Yb1—N6	114.33 (13)	C12—C13—C14	120.0 (5)
N2ⁱ—Yb1—N6	73.30 (12)	C12—C13—H13	120.0
O5—Yb1—N5	148.52 (13)	C14—C13—H13	120.0
O2—Yb1—N5	71.87 (12)	N6—C14—C13	121.1 (5)
N1—Yb1—N5	80.97 (14)	N6—C14—C15	116.5 (4)
O4—Yb1—N5	71.61 (13)	C13—C14—C15	122.4 (5)
N2ⁱ—Yb1—N5	100.34 (13)	N7—C15—C16	121.6 (5)
N6—Yb1—N5	65.42 (13)	N7—C15—C14	116.2 (4)
O5—Yb1—N7	80.43 (13)	C16—C15—C14	122.2 (5)
O2—Yb1—N7	85.64 (12)	C17—C16—C15	119.3 (5)
N1—Yb1—N7	137.01 (14)	C17—C16—H16	120.4
O4—Yb1—N7	139.58 (12)	C15—C16—H16	120.4
N2ⁱ—Yb1—N7	73.55 (13)	C18—C17—C16	119.6 (5)
N6—Yb1—N7	64.99 (13)	C18—C17—H17	120.2
N5—Yb1—N7	129.60 (13)	C16—C17—H17	120.2
O5—Yb1—O1	75.44 (13)	C17—C18—C19	118.8 (6)
O2—Yb1—O1	51.64 (12)	C17—C18—H18	120.6
N1—Yb1—O1	68.10 (14)	C19—C18—H18	120.6
O4—Yb1—O1	135.18 (13)	N7—C19—C18	122.6 (6)
N2ⁱ—Yb1—O1	137.30 (13)	N7—C19—H19	118.7
N6—Yb1—O1	109.16 (12)	C18—C19—H19	118.7
N5—Yb1—O1	119.84 (12)	N9—C20—C21	177.0 (9)
N7—Yb1—O1	69.99 (12)	C20—C21—H21A	109.5
O5—Yb1—N8	100.82 (13)	C20—C21—H21B	109.5
O2—Yb1—N8	26.03 (12)	H21A—C21—H21B	109.5
N1—Yb1—N8	68.10 (13)	C20—C21—H21C	109.5
O4—Yb1—N8	139.51 (12)	H21A—C21—H21C	109.5
N2ⁱ—Yb1—N8	151.76 (13)	H21B—C21—H21C	109.5
N6—Yb1—N8	92.51 (12)	C1—N1—Yb1	169.0 (4)
N5—Yb1—N8	95.38 (13)	C2—N2—Yb1ⁱⁱ	150.9 (3)
N7—Yb1—N8	78.34 (12)	C5—N5—C9	116.9 (4)
O1—Yb1—N8	25.75 (12)	C5—N5—Yb1	122.4 (3)
C1—Pt1—C2	92.89 (18)	C9—N5—Yb1	120.5 (3)
C1—Pt1—C3	178.77 (18)	C10—N6—C14	118.8 (4)
C2—Pt1—C3	86.46 (19)	C10—N6—Yb1	121.1 (3)
C1—Pt1—C4	88.27 (19)	C14—N6—Yb1	119.9 (3)
C2—Pt1—C4	178.60 (18)	C15—N7—C19	118.1 (4)
C3—Pt1—C4	92.37 (19)	C15—N7—Yb1	120.0 (3)
N1—C1—Pt1	178.7 (4)	C19—N7—Yb1	121.2 (3)
N2—C2—Pt1	172.2 (4)	O3—N8—O1	123.2 (5)
N3—C3—Pt1	174.7 (4)	O3—N8—O2	121.1 (4)
N4—C4—Pt1	177.5 (5)	O1—N8—O2	115.7 (4)
N5—C5—C6	123.6 (5)	O3—N8—Yb1	172.4 (4)
N5—C5—H5	118.2	O1—N8—Yb1	60.4 (2)
C6—C5—H5	118.2	O2—N8—Yb1	55.8 (2)
C7—C6—C5	118.7 (5)	N8—O1—Yb1	93.9 (3)
C7—C6—H6	120.7	N8—O2—Yb1	98.2 (3)
C5—C6—H6	120.7	Yb1—O4—H4A	122.0
C8—C7—C6	118.5 (5)	Yb1—O4—H4B	122.9
C8—C7—H7	120.8	H4A—O4—H4B	106.8
C6—C7—H7	120.8	Yb1—O5—H5A	122.5
C7—C8—C9	120.8 (5)	Yb1—O5—H5B	124.3
C7—C8—H8	119.6	H5A—O5—H5B	112.5

Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4A···N9	0.85	2.07	2.868 (7)	156.5
O4—H4B···N3ⁱ	0.85	2.28	3.125 (6)	169.6
O5—H5A···N3ⁱⁱⁱ	0.85	1.96	2.802 (6)	170.4
O5—H5B···N4^iv	0.85	2.00	2.842 (6)	172.7

Symmetry codes: (i) x+1, y, z; (iii) −x+1, −y+1, −z; (iv) −x+2, −y+1, −z.

Experimental details

Crystal data
Chemical formula	[PtYb(CN)₄(NO₃)(C₁₅H₁₁N₃)(H₂O)₂]·C₂H₃N
M_r	844.57
Crystal system, space group	Triclinic, P1
Temperature (K)	290
a, b, c (Å)	9.0810 (3), 10.1939 (3), 14.4718 (6)
α, β, γ (°)	79.083 (3), 72.689 (3), 78.660 (3)
V (Å³)	1241.70 (8)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	9.42
Crystal size (mm)	0.49 × 0.31 × 0.27

Data collection
Diffractometer	Oxford Diffraction Xcalibur E
Absorption correction	Multi-scan (CrysAlis PRO; Oxford Diffraction, 2010)
T_min, T_max	0.249, 1.00
No. of measured, independent and observed [I > 2σ(I)] reflections	9396, 4701, 4049
R_int	0.023
(sin θ/λ)_max (Å⁻¹)	0.610

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.024, 0.059, 1.07
No. of reflections	4701
No. of parameters	336
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.73, −1.37

Computer programs: CrysAlis PRO (Oxford Diffraction, 2010), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), OLEX2 (Dolomanov et al., 2009), publCIF (Westrip, 2010).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4A···N9	0.85	2.07	2.868 (7)	156.5
O4—H4B···N3ⁱ	0.85	2.28	3.125 (6)	169.6
O5—H5A···N3ⁱⁱ	0.85	1.96	2.802 (6)	170.4
O5—H5B···N4ⁱⁱⁱ	0.85	2.00	2.842 (6)	172.7

Symmetry codes: (i) x+1, y, z; (ii) −x+1, −y+1, −z; (iii) −x+2, −y+1, −z.

Acknowledgements

The authors gratefully acknowledge the National Science Foundation for their generous support (NSF-CAREER grant to RES, CHE-0846680).

References

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