Di-μ-sulfato-bis-{[bis-(3,5-dimethyl-pyrazol-1-yl)methane]copper(II)}.

The mol-ecule of the title compound, [Cu(2)(SO(4))(2)(C(11)H(16)N(4))(2)], sits on a center of symmetry. The Cu(II) atom has a distorted trigonal-bipyramidal coordination geometry comprising three O atoms of the two symmetry-related SO(4) (2-) anions and two N atoms from one bis-(3,5-dimethyl-pyrazol-1-yl)methane ligand.

Related literature

For related literature, see: Arnold et al. (2001 ▶); Dhar et al. (2004 ▶); Endres et al. (1984 ▶); Hatzidimitriou et al. (2006 ▶); He & Han (2006 ▶); Springsteen et al. (2006 ▶); Tamasi & Cini (2003 ▶); Thompson et al. (1998 ▶).

Experimental

Crystal data

[Cu2(SO4)2(C11H16N4)2]

M = 727.76

Monoclinic,

a = 7.5293 (15) Å

b = 10.734 (2) Å

c = 17.740 (4) Å

β = 99.73 (3)°

V = 1413.2 (5) Å3

Z = 2

Mo Kα radiation

μ = 1.71 mm−1

T = 291 (2) K

0.22 × 0.19 × 0.19 mm

Data collection

Rigaku Mercury diffractometer

Absorption correction: multi-scan (Jacobson, 1998 ▶) T min = 0.704, T max = 0.737

13344 measured reflections

2580 independent reflections

2253 reflections with I > 2σ(I)

R int = 0.039

Refinement

R[F 2 > 2σ(F 2)] = 0.045

wR(F 2) = 0.112

S = 1.07

2580 reflections

194 parameters

H-atom parameters constrained

Δρmax = 0.46 e Å−3

Δρmin = −0.42 e Å−3

Data collection: CrystalClear (Rigaku/MSC, 2001 ▶); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2004 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808027840/cs2085sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808027840/cs2085Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cu2(SO4)2(C11H16N4)2]	F(000) = 748
Mr = 727.76	Dx = 1.710 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 4573 reflections
a = 7.5293 (15) Å	θ = 3.0–25.4°
b = 10.734 (2) Å	µ = 1.71 mm−1
c = 17.740 (4) Å	T = 291 K
β = 99.73 (3)°	Block, green
V = 1413.2 (5) Å3	0.22 × 0.19 × 0.19 mm
Z = 2

Rigaku Mercury diffractometer	2580 independent reflections
Radiation source: fine-focus sealed tube	2253 reflections with I > 2σ(I)
graphite	Rint = 0.039
Detector resolution: 14.6306 pixels mm-1	θmax = 25.4°, θmin = 3.0°
ω scans	h = −9→9
Absorption correction: multi-scan (Jacobson, 1998)	k = −12→12
Tmin = 0.704, Tmax = 0.737	l = −21→21
13344 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.045	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.112	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.054P)2 + 2.0475P] where P = (Fo2 + 2Fc2)/3
2580 reflections	(Δ/σ)max < 0.001
194 parameters	Δρmax = 0.46 e Å−3
0 restraints	Δρmin = −0.42 e Å−3

	x	y	z	Uiso*/Ueq
Cu1	−0.00166 (6)	0.33244 (4)	0.03099 (2)	0.03196 (18)
S1	−0.08737 (12)	0.41689 (8)	−0.10738 (5)	0.0301 (2)
O1	−0.2040 (4)	0.3437 (3)	−0.06474 (16)	0.0422 (7)
O2	0.0920 (3)	0.4113 (3)	−0.05419 (15)	0.0431 (7)
O3	−0.0756 (4)	0.3645 (3)	−0.18102 (15)	0.0461 (7)
O4	−0.1457 (4)	0.5477 (3)	−0.11429 (16)	0.0444 (7)
N1	−0.1409 (4)	0.2717 (3)	0.10764 (17)	0.0316 (7)
N2	−0.0581 (4)	0.1991 (3)	0.16697 (17)	0.0330 (7)
N3	0.1848 (4)	0.1141 (3)	0.11191 (17)	0.0316 (7)
N4	0.1593 (4)	0.1722 (3)	0.04242 (17)	0.0315 (7)
C1	−0.3116 (5)	0.2839 (4)	0.1176 (2)	0.0343 (9)
C2	−0.3360 (6)	0.2205 (4)	0.1837 (2)	0.0411 (10)
H2	−0.4423	0.2152	0.2036	0.049*
C3	−0.1745 (6)	0.1674 (4)	0.2137 (2)	0.0365 (9)
C4	−0.1213 (7)	0.0889 (5)	0.2836 (3)	0.0557 (13)
H4A	−0.0814	0.0089	0.2691	0.084*
H4B	−0.2230	0.0785	0.3092	0.084*
H4C	−0.0253	0.1291	0.3175	0.084*
C5	−0.4425 (5)	0.3586 (4)	0.0638 (2)	0.0433 (10)
H5A	−0.3832	0.4307	0.0478	0.065*
H5B	−0.5399	0.3843	0.0888	0.065*
H5C	−0.4889	0.3089	0.0198	0.065*
C6	0.1344 (5)	0.1810 (4)	0.1760 (2)	0.0331 (8)
H6A	0.1751	0.1348	0.2228	0.040*
H6B	0.1939	0.2615	0.1807	0.040*
C7	0.2597 (5)	−0.0001 (4)	0.1088 (2)	0.0360 (9)
C8	0.2818 (6)	−0.0156 (4)	0.0345 (2)	0.0418 (10)
H8	0.3300	−0.0851	0.0140	0.050*
C9	0.2187 (5)	0.0921 (4)	−0.0045 (2)	0.0340 (9)
C10	0.3072 (7)	−0.0825 (4)	0.1768 (3)	0.0509 (11)
H10A	0.4025	−0.0449	0.2123	0.076*
H10B	0.3462	−0.1619	0.1609	0.076*
H10C	0.2034	−0.0936	0.2009	0.076*
C11	0.2141 (6)	0.1216 (5)	−0.0874 (2)	0.0495 (11)
H11A	0.0912	0.1305	−0.1123	0.074*
H11B	0.2701	0.0552	−0.1111	0.074*
H11C	0.2779	0.1979	−0.0920	0.074*

	U11	U22	U33	U12	U13	U23
Cu1	0.0298 (3)	0.0404 (3)	0.0263 (3)	0.00246 (19)	0.0063 (2)	0.00527 (19)
S1	0.0345 (5)	0.0300 (5)	0.0251 (5)	−0.0015 (4)	0.0034 (4)	−0.0014 (4)
O1	0.0415 (16)	0.0482 (17)	0.0366 (15)	−0.0127 (13)	0.0059 (13)	0.0060 (13)
O2	0.0328 (15)	0.064 (2)	0.0313 (14)	−0.0037 (13)	0.0025 (12)	0.0067 (14)
O3	0.063 (2)	0.0462 (17)	0.0285 (14)	0.0050 (14)	0.0053 (14)	−0.0078 (13)
O4	0.0621 (19)	0.0333 (15)	0.0372 (15)	0.0054 (14)	0.0068 (14)	0.0024 (12)
N1	0.0287 (16)	0.0381 (18)	0.0286 (16)	0.0030 (14)	0.0066 (13)	0.0039 (14)
N2	0.0355 (18)	0.0353 (17)	0.0287 (16)	0.0059 (14)	0.0069 (14)	0.0051 (14)
N3	0.0357 (17)	0.0299 (16)	0.0297 (16)	0.0044 (14)	0.0068 (14)	−0.0006 (14)
N4	0.0336 (17)	0.0320 (17)	0.0293 (16)	0.0045 (13)	0.0062 (14)	0.0010 (13)
C1	0.033 (2)	0.034 (2)	0.038 (2)	0.0010 (16)	0.0112 (17)	−0.0067 (17)
C2	0.041 (2)	0.044 (2)	0.043 (2)	−0.0049 (19)	0.0210 (19)	0.0026 (19)
C3	0.044 (2)	0.034 (2)	0.035 (2)	−0.0025 (17)	0.0155 (19)	0.0045 (17)
C4	0.068 (3)	0.059 (3)	0.044 (3)	0.004 (2)	0.023 (2)	0.023 (2)
C5	0.028 (2)	0.057 (3)	0.045 (2)	0.0065 (19)	0.0064 (19)	0.002 (2)
C6	0.039 (2)	0.035 (2)	0.0249 (18)	0.0016 (17)	0.0035 (16)	0.0009 (16)
C7	0.034 (2)	0.029 (2)	0.043 (2)	0.0028 (16)	0.0017 (17)	0.0007 (17)
C8	0.046 (2)	0.035 (2)	0.044 (2)	0.0067 (18)	0.0077 (19)	−0.0071 (19)
C9	0.031 (2)	0.034 (2)	0.037 (2)	0.0013 (16)	0.0057 (17)	−0.0069 (17)
C10	0.069 (3)	0.035 (2)	0.047 (3)	0.011 (2)	0.003 (2)	0.005 (2)
C11	0.057 (3)	0.059 (3)	0.034 (2)	0.010 (2)	0.011 (2)	−0.008 (2)

Cu1—N1	1.963 (3)	C2—H2	0.9300
Cu1—O2	1.964 (3)	C3—C4	1.497 (6)
Cu1—O1	2.085 (3)	C4—H4A	0.9600
Cu1—N4	2.094 (3)	C4—H4B	0.9600
Cu1—O4i	2.125 (3)	C4—H4C	0.9600
Cu1—S1	2.5939 (11)	C5—H5A	0.9600
S1—O3	1.439 (3)	C5—H5B	0.9600
S1—O4	1.470 (3)	C5—H5C	0.9600
S1—O1	1.479 (3)	C6—H6A	0.9700
S1—O2	1.513 (3)	C6—H6B	0.9700
O4—Cu1i	2.125 (3)	C7—C8	1.365 (5)
N1—C1	1.333 (5)	C7—C10	1.489 (6)
N1—N2	1.372 (4)	C8—C9	1.390 (6)
N2—C3	1.348 (5)	C8—H8	0.9300
N2—C6	1.444 (5)	C9—C11	1.499 (5)
N3—C7	1.354 (5)	C10—H10A	0.9600
N3—N4	1.366 (4)	C10—H10B	0.9600
N3—C6	1.449 (5)	C10—H10C	0.9600
N4—C9	1.326 (5)	C11—H11A	0.9600
C1—C2	1.394 (5)	C11—H11B	0.9600
C1—C5	1.486 (6)	C11—H11C	0.9600
C2—C3	1.367 (6)
N1—Cu1—O2	168.29 (12)	C3—C2—H2	126.4
N1—Cu1—O1	100.44 (11)	C1—C2—H2	126.4
O2—Cu1—O1	69.90 (11)	N2—C3—C2	106.4 (3)
N1—Cu1—N4	91.60 (12)	N2—C3—C4	122.8 (4)
O2—Cu1—N4	98.70 (12)	C2—C3—C4	130.8 (4)
O1—Cu1—N4	117.24 (12)	C3—C4—H4A	109.5
N1—Cu1—O4i	89.80 (12)	C3—C4—H4B	109.5
O2—Cu1—O4i	93.50 (11)	H4A—C4—H4B	109.5
O1—Cu1—O4i	139.06 (11)	C3—C4—H4C	109.5
N4—Cu1—O4i	101.80 (12)	H4A—C4—H4C	109.5
N1—Cu1—S1	134.03 (9)	H4B—C4—H4C	109.5
O2—Cu1—S1	35.47 (8)	C1—C5—H5A	109.5
O1—Cu1—S1	34.73 (8)	C1—C5—H5B	109.5
N4—Cu1—S1	115.22 (9)	H5A—C5—H5B	109.5
O4i—Cu1—S1	117.63 (8)	C1—C5—H5C	109.5
O3—S1—O4	111.17 (17)	H5A—C5—H5C	109.5
O3—S1—O1	112.93 (18)	H5B—C5—H5C	109.5
O4—S1—O1	110.82 (18)	N2—C6—N3	111.7 (3)
O3—S1—O2	111.43 (17)	N2—C6—H6A	109.3
O4—S1—O2	108.23 (17)	N3—C6—H6A	109.3
O1—S1—O2	101.81 (16)	N2—C6—H6B	109.3
O3—S1—Cu1	132.76 (13)	N3—C6—H6B	109.3
O4—S1—Cu1	115.83 (12)	H6A—C6—H6B	107.9
O1—S1—Cu1	53.44 (11)	N3—C7—C8	105.6 (3)
O2—S1—Cu1	48.89 (11)	N3—C7—C10	123.2 (4)
S1—O1—Cu1	91.83 (14)	C8—C7—C10	131.1 (4)
S1—O2—Cu1	95.64 (14)	C7—C8—C9	107.0 (4)
S1—O4—Cu1i	114.00 (17)	C7—C8—H8	126.5
C1—N1—N2	106.1 (3)	C9—C8—H8	126.5
C1—N1—Cu1	134.3 (3)	N4—C9—C8	110.4 (3)
N2—N1—Cu1	119.6 (2)	N4—C9—C11	121.7 (4)
C3—N2—N1	110.9 (3)	C8—C9—C11	127.9 (4)
C3—N2—C6	129.9 (3)	C7—C10—H10A	109.5
N1—N2—C6	118.6 (3)	C7—C10—H10B	109.5
C7—N3—N4	111.8 (3)	H10A—C10—H10B	109.5
C7—N3—C6	130.3 (3)	C7—C10—H10C	109.5
N4—N3—C6	117.8 (3)	H10A—C10—H10C	109.5
C9—N4—N3	105.1 (3)	H10B—C10—H10C	109.5
C9—N4—Cu1	136.3 (3)	C9—C11—H11A	109.5
N3—N4—Cu1	117.0 (2)	C9—C11—H11B	109.5
N1—C1—C2	109.3 (3)	H11A—C11—H11B	109.5
N1—C1—C5	121.1 (3)	C9—C11—H11C	109.5
C2—C1—C5	129.6 (4)	H11A—C11—H11C	109.5
C3—C2—C1	107.3 (3)	H11B—C11—H11C	109.5