The one-dimensional chain structure of [Cu(en)₂Pt(CN)₄] (en is ethyl­enediamine)

The title compound, catena-poly[di-μ-cyano-1:2κ²C:N;1:2′κ²C:N-dicyano-1-κ²C-bis­(ethyl­enediamine-2κ²N,N′)platinum(II)copper(II)], [CuPt(CN)₄(C₂H₈N₂)₂]_n, (I), consists of one-dimensional chains running along the [111] direction. Both Cu and Pt atoms are located on centres of symmetry in an alternating array of [Cu(en)₂]²⁺ (en is ethyl­enediamine) and [Pt(CN)₄]²⁻ units. The Pt—C coordination bond distances of 1.985 (4) and 1.995 (4) Å are longer than those of an analogous Ni^II complex. Moreover, due to Jahn–Teller distortion, the axial Cu—N bond distance of 2.562 (5) Å is longer than the equatorial ones of 2.014 (4) and 2.017 (4) Å.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.022
• wR factor = 0.055
• Data-to-parameter ratio = 18.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N2
PLAT420_ALERT_2_C D-H Without Acceptor       N4     -   H4C    ...          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3D    ..  N2      ..       2.84 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4D    ..  N2      ..       2.84 Ang.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: WinAFC Diffractometer Control Software (Rigaku, 1999); cell refinement: WinAFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 2001); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.

catena-poly[µ-cyano-1:2κ²C:N-µ-cyano-1:2'κ²C:N-dicyano-1-κ²C- bis(ethylenediamine-2κ²N,N')platinum(II)copper(II)]

Crystal data

[Cu(C2H8N2)2Pt(CN)4]	Z = 1
Mr = 482.92	F(000) = 227
Triclinic, P1	Dx = 2.266 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.560 (4) Å	Cell parameters from 25 reflections
b = 7.350 (5) Å	θ = 10.0–13.9°
c = 8.068 (3) Å	µ = 11.37 mm^−1
α = 107.27 (4)°	T = 298 K
β = 90.92 (4)°	Prismatic, blue
γ = 106.54 (6)°	0.30 × 0.20 × 0.20 mm
V = 353.9 (4) Å^3

Data collection

Rigaku AFC-7R diffractometer	1628 reflections with I > 2σ(I)
Radiation source: Rigaku rotating anode generator	Rint = 0.044
Graphite monochromator	θmax = 27.5°
ω/2θ scans	h = −8→8
Absorption correction: ψ scan (North et al., 1968)	k = −9→3
Tmin = 0.060, Tmax = 0.103	l = −10→10
1844 measured reflections	3 standard reflections every 150 reflections
1630 independent reflections	intensity decay: 1.4%

Refinement

Refinement on F^2	Secondary atom site location: inferred from neighbouring sites
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.022	H-atom parameters constrained
wR(F^2) = 0.055	w = 1/[σ^2(Fo^2) + (0.05P)^2 + 0.0221P] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.001
1628 reflections	Δρmax = 1.05 e Å^−3
86 parameters	Δρmin = −2.32 e Å^−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.241 (8)

Special details

Experimental. IR (KBr, ν, cm^-1): 492, 530, 613, 719, 971, 1036, 1082, 1163, 1274, 1317, 1592, 2122 (cyanide), 2874, 2928, 2983, 3155, 3277, 3310, 3332.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Pt1	0.0000	0.0000	0.0000	0.02971 (13)
Cu1	0.5000	0.5000	0.5000	0.03174 (15)
N1	0.3472 (8)	−0.1181 (7)	0.1806 (6)	0.0569 (11)
N2	0.1514 (7)	0.4072 (6)	0.3033 (6)	0.0501 (9)
N3	0.4093 (6)	0.2367 (5)	0.5487 (5)	0.0398 (7)
H3C	0.3672	0.1352	0.4478	0.048*
H3D	0.5196	0.2212	0.6049	0.048*
N4	0.3419 (6)	0.5921 (6)	0.7054 (5)	0.0408 (7)
H4C	0.4243	0.7090	0.7798	0.049*
H4D	0.2216	0.6109	0.6683	0.049*
C1	0.2202 (7)	−0.0815 (6)	0.1088 (5)	0.0381 (8)
C2	0.0941 (6)	0.2605 (6)	0.1893 (5)	0.0363 (7)
C3	0.2303 (9)	0.2359 (8)	0.6581 (7)	0.0518 (10)
H3A	0.2111	0.1322	0.7130	0.062*
H3B	0.0984	0.2111	0.5873	0.062*
C4	0.2876 (9)	0.4391 (10)	0.7948 (6)	0.0549 (11)
H4A	0.1677	0.4518	0.8612	0.066*
H4B	0.4087	0.4563	0.8747	0.066*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pt1	0.02801 (15)	0.03556 (16)	0.02654 (15)	0.00890 (8)	0.00073 (7)	0.01201 (8)
Cu1	0.0333 (3)	0.0307 (3)	0.0309 (3)	0.0102 (2)	0.0057 (2)	0.0087 (2)
N1	0.060 (3)	0.059 (2)	0.055 (2)	0.028 (2)	−0.013 (2)	0.0138 (19)
N2	0.046 (2)	0.051 (2)	0.045 (2)	0.0143 (16)	−0.0093 (16)	0.0031 (16)
N3	0.0440 (18)	0.0365 (14)	0.0393 (17)	0.0115 (13)	−0.0043 (14)	0.0137 (13)
N4	0.0362 (17)	0.0478 (17)	0.0359 (16)	0.0144 (14)	0.0047 (13)	0.0080 (13)
C1	0.0387 (19)	0.0397 (17)	0.0352 (18)	0.0149 (15)	−0.0034 (15)	0.0081 (14)
C2	0.0317 (17)	0.0423 (18)	0.0375 (18)	0.0143 (14)	−0.0020 (14)	0.0136 (15)
C3	0.051 (3)	0.059 (2)	0.052 (2)	0.009 (2)	0.006 (2)	0.033 (2)
C4	0.057 (3)	0.081 (3)	0.035 (2)	0.027 (3)	0.0115 (19)	0.023 (2)

Geometric parameters (Å, º)

Pt1—C2	1.985 (4)	N3—H3D	0.9000
Pt1—C1	1.995 (4)	N4—C4	1.474 (7)
Cu1—N3	2.014 (4)	N4—H4C	0.9000
Cu1—N4	2.017 (4)	N4—H4D	0.9000
Cu1—N2	2.562 (5)	C3—C4	1.509 (8)
N1—C1	1.143 (6)	C3—H3A	0.9700
N2—C2	1.149 (6)	C3—H3B	0.9700
N3—C3	1.480 (7)	C4—H4A	0.9700
N3—H3C	0.9000	C4—H4B	0.9700
C2—Pt1—C1	88.08 (17)	C4—N4—H4D	109.9
C2^i—Pt1—C1	91.92 (17)	Cu1—N4—H4D	109.9
N3—Cu1—N4	84.40 (17)	H4C—N4—H4D	108.3
N3—Cu1—N4^ii	95.60 (17)	N1—C1—Pt1	175.6 (4)
N2—Cu1—N3	91.69 (16)	N2—C2—Pt1	177.1 (4)
N2—Cu1—N4	87.69 (17)	N3—C3—C4	106.9 (4)
Cu1—N2—C2	121.6 (4)	N3—C3—H3A	110.3
C3—N3—Cu1	108.2 (3)	C4—C3—H3A	110.3
C3—N3—H3C	110.1	N3—C3—H3B	110.3
Cu1—N3—H3C	110.1	C4—C3—H3B	110.3
C3—N3—H3D	110.1	H3A—C3—H3B	108.6
Cu1—N3—H3D	110.1	N4—C4—C3	108.2 (4)
H3C—N3—H3D	108.4	N4—C4—H4A	110.1
C4—N4—Cu1	109.0 (3)	C3—C4—H4A	110.1
C4—N4—H4C	109.9	N4—C4—H4B	110.1
Cu1—N4—H4C	109.9	C3—C4—H4B	110.1
N4—Cu1—N3—C3	18.2 (3)	Cu1—N3—C3—C4	−42.7 (4)
N4^ii—Cu1—N3—C3	−161.8 (3)	Cu1—N4—C4—C3	−37.1 (5)
N3—Cu1—N4—C4	10.7 (3)	N3—C3—C4—N4	52.9 (5)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N3—H3C···N1	0.90	2.37	3.247 (5)	166
N3—H3D···N1^iii	0.90	2.33	3.145 (7)	150
N3—H3D···N2^ii	0.90	2.84	3.212 (5)	107
N4—H4D···N2	0.90	2.84	3.196 (5)	105

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