Di-μ-nitrito-κ3O:O,O′;κ3O,O′:O-bis­{[2,6-bis­(pyrazol-1-yl-κN2)pyridine-κN](nitrito-κ2O,O′)cadmium(II)}

Sun, T.T.; Meng, L.; Shi, J.M.

doi:10.1107/S1600536809039841

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 11| November 2009| Page m1318

https://doi.org/10.1107/S1600536809039841

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Di-μ-nitrito-κ³O:O,O′;κ³O,O′:O-bis{[2,6-bis(pyrazol-1-yl-κN²)pyridine-κN](nitrito-κ²O,O′)cadmium(II)}

Ting Ting Sun,^a Lin Meng ^a and Jing Min Shi ^a ^*

^aDepartment of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China
^*Correspondence e-mail: shijingmin1955@yahoo.com.cn

(Received 27 September 2009; accepted 30 September 2009; online 7 October 2009)

In the title centrosymmetric binuclear complex, [Cd₂(NO₂)₄(C₁₁H₉N₅)₂], the unique Cd^II ion is in a distorted dodecahedral CdN₃O₅ coordination environment. The two inversion-related Cd^II ions are separated by 3.9920 (6) Å and are bridged by two O atoms from two nitrite ligands. There are two types of π–π stacking interactions involving symmetry-related pyrazole rings, with centroid–centroid distances of 3.445 (2) and 3.431 (2) Å.

Related literature

For related structures, see: Yang & Sun (2008 ); Bessel et al. (1993 ).

Experimental

Crystal data

[Cd₂(NO₂)₄(C₁₁H₉N₅)₂]
M_r = 831.30
Triclinic, $[P \overline 1]$
a = 7.7618 (13) Å
b = 9.5522 (16) Å
c = 10.9665 (19) Å
α = 110.285 (2)°
β = 90.616 (2)°
γ = 112.155 (2)°
V = 696.9 (2) Å³
Z = 1
Mo Kα radiation
μ = 1.60 mm⁻¹
T = 298 K
0.32 × 0.21 × 0.10 mm

Data collection

Bruker SMART APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.628, T_max = 0.856
3815 measured reflections
2666 independent reflections
2468 reflections with I > 2σ(I)
R_int = 0.017

Refinement

R[F² > 2σ(F²)] = 0.029
wR(F²) = 0.076
S = 1.09
2666 reflections
208 parameters
H-atom parameters constrained
Δρ_max = 0.56 e Å⁻³
Δρ_min = −0.53 e Å⁻³

Data collection: SMART (Bruker, 1997 ); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536809039841/lh2917sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536809039841/lh2917Isup2.hkl

checkCIF report

Comment top

2,6-Dipyrazol-1-ylpyridine is expected be a useful tridentate ligand, but complexes with it as ligand to our knowledge are somewhat rare (e.g. Yang & Sun, 2008; Bessel et al., 1993). Our interest in complexes with 2,6-dipyrazol-1-ylpyridine as a ligand has motivated us to prepare the title complex, (I), and herein we report its crystal structure.

Fig. 1 shows the molecular structure of the title complex. Each Cd^II ion is coordinated by five O atoms and three N atoms in a distorted dodecahedral coordination environment (see Fig. 2). It is rare for Cd^II to assume this coordination mode. Fig. 1 also shows that two nitrite anions function as bridging ligands, linking two inversion related Cd^II ions with a separation of 3.9920 (6) Å leading to a binuclear Cd^II complex. In the crystal there are the strong π–π stacking interactions involving the symmetry related triazole rings, with the relevant distances being Cg1···Cg2ⁱ = 3.445 (2) Å, Cg2···Cg2ⁱⁱ = 3.431 (2) Å, Cg1···Cg2ⁱ_perp = 3.299 Å and Cg2···Cg2ⁱⁱ_perp = 3.274 Å (symmetric codes: (i) -1+x, y, z; (ii) 1-x, 1-y, 2-z; Cg1 and Cg2 are the centroids of C1-C3/N1/N2; C9-C11/N4/N5 triazole rings, respectively; Cgi···Cgj_perp is the perpendicular distance from Cgi ring to Cgj ring).

Related literature top

For related structures, see: Yang & Sun (2008); Bessel et al. (1993).

Experimental top

10 ml dichloromethane solution of 2,6-Dipyrazol-1-ylpyridine (0.0692 g, 0.328 mmol) was added into 10 ml methanol solution containing Cd(ClO₄).6H₂O (0.0740 g, 0.176 mmol) and sodium nitrite (0.0138 g, 0.200 mmol) and the mixed soluton was stirred for a few minutes. The colorless single crystals were obtained after the filtrate had been allowed to stand at room temperature for about one month.

Structure description top

For related structures, see: Yang & Sun (2008); Bessel et al. (1993).

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. Symmetry code: (i) 1 - x, 2 - y, 2 - z
	Fig. 2. The coordination environment of Cd^II

Di-µ-nitrito- κ³O:O,O';κ³O,O':O- bis{[2,6-bis(pyrazol-1-yl-κN²)pyridine-κN](nitrito- κ²O,O')cadmium(II)} top

Crystal data top

[Cd₂(NO₂)₄(C₁₁H₉N₅)₂]	Z = 1
M_r = 831.30	F(000) = 408
Triclinic, P1	D_x = 1.981 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.7618 (13) Å	Cell parameters from 2504 reflections
b = 9.5522 (16) Å	θ = 2.5–27.8°
c = 10.9665 (19) Å	µ = 1.60 mm⁻¹
α = 110.285 (2)°	T = 298 K
β = 90.616 (2)°	Block, colorless
γ = 112.155 (2)°	0.32 × 0.21 × 0.10 mm
V = 696.9 (2) Å³

Data collection top

Bruker SMART APEX CCD diffractometer	2666 independent reflections
Radiation source: fine-focus sealed tube	2468 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.017
φ and ω scans	θ_max = 26.0°, θ_min = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −9→9
T_min = 0.628, T_max = 0.856	k = −11→11
3815 measured reflections	l = −7→13

Refinement top

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)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.076	H-atom parameters constrained
S = 1.09	w = 1/[σ²(F_o²) + (0.044P)²] where P = (F_o² + 2F_c²)/3
2666 reflections	(Δ/σ)_max = 0.002
208 parameters	Δρ_max = 0.56 e Å⁻³
0 restraints	Δρ_min = −0.53 e Å⁻³

Crystal data top

[Cd₂(NO₂)₄(C₁₁H₉N₅)₂]	γ = 112.155 (2)°
M_r = 831.30	V = 696.9 (2) Å³
Triclinic, P1	Z = 1
a = 7.7618 (13) Å	Mo Kα radiation
b = 9.5522 (16) Å	µ = 1.60 mm⁻¹
c = 10.9665 (19) Å	T = 298 K
α = 110.285 (2)°	0.32 × 0.21 × 0.10 mm
β = 90.616 (2)°

Data collection top

Bruker SMART APEX CCD diffractometer	2666 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	2468 reflections with I > 2σ(I)
T_min = 0.628, T_max = 0.856	R_int = 0.017
3815 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.029	0 restraints
wR(F²) = 0.076	H-atom parameters constrained
S = 1.09	Δρ_max = 0.56 e Å⁻³
2666 reflections	Δρ_min = −0.53 e Å⁻³
208 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 > 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

	x	y	z	U_iso*/U_eq
C1	−0.0700 (5)	0.7853 (5)	0.7004 (4)	0.0445 (8)
H1	−0.0364	0.8974	0.7345	0.053*
C2	−0.2364 (5)	0.6713 (5)	0.6144 (4)	0.0454 (8)
H2	−0.3315	0.6920	0.5817	0.055*
C3	−0.2301 (4)	0.5239 (5)	0.5885 (3)	0.0431 (8)
H3	−0.3207	0.4227	0.5338	0.052*
C4	0.0015 (4)	0.4386 (4)	0.6698 (3)	0.0296 (6)
C5	0.2520 (4)	0.4068 (3)	0.7464 (3)	0.0298 (6)
C6	0.1560 (4)	0.2398 (4)	0.7011 (4)	0.0405 (7)
H6	0.2125	0.1736	0.7117	0.049*
C7	−0.0287 (5)	0.1747 (4)	0.6390 (3)	0.0449 (8)
H7	−0.0984	0.0623	0.6074	0.054*
C8	−0.1103 (5)	0.2735 (4)	0.6234 (3)	0.0410 (8)
H8	−0.2350	0.2311	0.5835	0.049*
C9	0.5554 (4)	0.4211 (4)	0.8411 (3)	0.0357 (7)
H9	0.5291	0.3105	0.8142	0.043*
C10	0.7180 (4)	0.5479 (4)	0.9151 (3)	0.0373 (7)
H10	0.8247	0.5419	0.9481	0.045*
C11	0.6898 (4)	0.6888 (4)	0.9306 (3)	0.0364 (7)
H11	0.7781	0.7945	0.9778	0.044*
Cd1	0.35091 (3)	0.79984 (2)	0.84217 (2)	0.03281 (10)
N1	0.0340 (4)	0.7146 (3)	0.7277 (3)	0.0374 (6)
N2	−0.0654 (3)	0.5526 (3)	0.6580 (3)	0.0340 (6)
N3	0.1788 (3)	0.5057 (3)	0.7307 (2)	0.0290 (5)
N4	0.4388 (3)	0.4869 (3)	0.8142 (2)	0.0291 (5)
N5	0.5215 (3)	0.6530 (3)	0.8697 (2)	0.0323 (5)
N6	0.2056 (4)	0.8778 (4)	1.0874 (3)	0.0506 (7)
N7	0.4464 (4)	0.9665 (4)	0.6637 (3)	0.0485 (7)
O1	0.1706 (4)	0.7339 (3)	1.0265 (3)	0.0568 (7)
O2	0.3107 (4)	0.9700 (3)	1.0329 (3)	0.0542 (7)
O3	0.3877 (4)	1.0225 (3)	0.7663 (3)	0.0506 (6)
O4	0.4610 (4)	0.8348 (3)	0.6500 (3)	0.0491 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0479 (19)	0.048 (2)	0.054 (2)	0.0301 (17)	0.0146 (16)	0.0260 (18)
C2	0.0422 (18)	0.062 (2)	0.048 (2)	0.0337 (17)	0.0107 (15)	0.0256 (18)
C3	0.0323 (16)	0.056 (2)	0.0377 (18)	0.0187 (16)	0.0004 (14)	0.0135 (16)
C4	0.0314 (14)	0.0328 (15)	0.0262 (14)	0.0157 (13)	0.0086 (12)	0.0100 (12)
C5	0.0325 (14)	0.0285 (14)	0.0298 (14)	0.0139 (12)	0.0074 (12)	0.0110 (12)
C6	0.0434 (18)	0.0305 (15)	0.0486 (19)	0.0162 (14)	0.0023 (15)	0.0147 (14)
C7	0.0458 (19)	0.0280 (16)	0.051 (2)	0.0087 (14)	−0.0021 (16)	0.0111 (15)
C8	0.0353 (16)	0.0388 (18)	0.0395 (18)	0.0087 (14)	−0.0009 (14)	0.0112 (15)
C9	0.0379 (16)	0.0376 (16)	0.0449 (18)	0.0231 (14)	0.0152 (14)	0.0219 (15)
C10	0.0312 (15)	0.0472 (19)	0.0455 (18)	0.0210 (14)	0.0100 (14)	0.0256 (16)
C11	0.0314 (15)	0.0367 (16)	0.0412 (17)	0.0109 (13)	0.0041 (13)	0.0182 (14)
Cd1	0.03791 (15)	0.02645 (14)	0.03535 (15)	0.01474 (11)	0.00396 (10)	0.01137 (10)
N1	0.0360 (14)	0.0340 (14)	0.0457 (16)	0.0174 (12)	0.0059 (12)	0.0158 (12)
N2	0.0312 (13)	0.0396 (14)	0.0345 (14)	0.0175 (12)	0.0061 (11)	0.0144 (12)
N3	0.0303 (12)	0.0283 (12)	0.0305 (13)	0.0138 (10)	0.0043 (10)	0.0115 (10)
N4	0.0302 (12)	0.0271 (12)	0.0338 (13)	0.0136 (10)	0.0055 (10)	0.0137 (11)
N5	0.0324 (13)	0.0262 (12)	0.0396 (14)	0.0120 (11)	0.0054 (11)	0.0138 (11)
N6	0.0513 (18)	0.0524 (19)	0.0435 (17)	0.0200 (15)	0.0137 (14)	0.0140 (15)
N7	0.0554 (18)	0.0436 (17)	0.0508 (18)	0.0175 (15)	0.0031 (15)	0.0257 (15)
O1	0.0566 (16)	0.0422 (15)	0.0591 (17)	0.0080 (13)	0.0077 (13)	0.0181 (14)
O2	0.0708 (17)	0.0338 (13)	0.0464 (14)	0.0131 (12)	0.0090 (13)	0.0108 (11)
O3	0.0584 (15)	0.0340 (12)	0.0602 (17)	0.0202 (12)	0.0044 (13)	0.0171 (12)
O4	0.0610 (16)	0.0464 (14)	0.0462 (14)	0.0291 (13)	0.0099 (12)	0.0166 (12)

Geometric parameters (Å, º) top

C1—N1	1.320 (4)	C9—C10	1.364 (4)
C1—C2	1.395 (5)	C9—H9	0.9300
C1—H1	0.9300	C10—C11	1.397 (5)
C2—C3	1.357 (5)	C10—H10	0.9300
C2—H2	0.9300	C11—N5	1.325 (4)
C3—N2	1.364 (4)	C11—H11	0.9300
C3—H3	0.9300	Cd1—O2	2.270 (3)
C4—N3	1.330 (4)	Cd1—N5	2.345 (2)
C4—C8	1.379 (4)	Cd1—O4	2.365 (3)
C4—N2	1.413 (4)	Cd1—N3	2.434 (2)
C5—N3	1.328 (4)	Cd1—N1	2.450 (3)
C5—C6	1.376 (4)	Cd1—O3	2.464 (2)
C5—N4	1.409 (4)	Cd1—O1	2.592 (3)
C6—C7	1.385 (4)	N1—N2	1.357 (4)
C6—H6	0.9300	N4—N5	1.361 (3)
C7—C8	1.371 (5)	N6—O1	1.220 (4)
C7—H7	0.9300	N6—O2	1.277 (4)
C8—H8	0.9300	N7—O3	1.240 (4)
C9—N4	1.361 (4)	N7—O4	1.264 (4)

N1—C1—C2	111.8 (3)	O4—Cd1—N3	93.58 (9)
N1—C1—H1	124.1	O2—Cd1—N1	94.34 (10)
C2—C1—H1	124.1	N5—Cd1—N1	132.58 (9)
C3—C2—C1	105.3 (3)	O4—Cd1—N1	86.53 (9)
C3—C2—H2	127.3	N3—Cd1—N1	65.49 (8)
C1—C2—H2	127.3	O2—Cd1—O3	83.63 (9)
C2—C3—N2	106.8 (3)	N5—Cd1—O3	139.36 (9)
C2—C3—H3	126.6	O4—Cd1—O3	51.23 (9)
N2—C3—H3	126.6	N3—Cd1—O3	130.34 (8)
N3—C4—C8	124.0 (3)	N1—Cd1—O3	77.14 (8)
N3—C4—N2	113.9 (3)	O2—Cd1—O1	50.02 (9)
C8—C4—N2	122.2 (3)	N5—Cd1—O1	87.76 (9)
N3—C5—C6	123.6 (3)	O4—Cd1—O1	169.63 (9)
N3—C5—N4	114.4 (2)	N3—Cd1—O1	80.15 (8)
C6—C5—N4	122.0 (3)	N1—Cd1—O1	83.36 (9)
C5—C6—C7	117.0 (3)	O3—Cd1—O1	127.86 (9)
C5—C6—H6	121.5	C1—N1—N2	104.8 (3)
C7—C6—H6	121.5	C1—N1—Cd1	137.4 (2)
C8—C7—C6	121.0 (3)	N2—N1—Cd1	117.31 (18)
C8—C7—H7	119.5	N1—N2—C3	111.2 (3)
C6—C7—H7	119.5	N1—N2—C4	120.0 (2)
C7—C8—C4	116.8 (3)	C3—N2—C4	128.7 (3)
C7—C8—H8	121.6	C5—N3—C4	117.6 (3)
C4—C8—H8	121.6	C5—N3—Cd1	119.45 (19)
N4—C9—C10	107.1 (3)	C4—N3—Cd1	122.21 (19)
N4—C9—H9	126.4	C9—N4—N5	111.0 (2)
C10—C9—H9	126.4	C9—N4—C5	128.9 (3)
C9—C10—C11	105.3 (3)	N5—N4—C5	120.0 (2)
C9—C10—H10	127.4	C11—N5—N4	105.1 (2)
C11—C10—H10	127.4	C11—N5—Cd1	136.3 (2)
N5—C11—C10	111.5 (3)	N4—N5—Cd1	118.55 (17)
N5—C11—H11	124.2	O1—N6—O2	112.5 (3)
C10—C11—H11	124.2	O3—N7—O4	113.2 (3)
O2—Cd1—N5	114.66 (9)	N6—O1—Cd1	91.5 (2)
O2—Cd1—O4	133.53 (9)	N6—O2—Cd1	105.9 (2)
N5—Cd1—O4	97.45 (9)	N7—O3—Cd1	95.73 (19)
O2—Cd1—N3	128.85 (8)	N7—O4—Cd1	99.9 (2)
N5—Cd1—N3	67.11 (8)

N1—C1—C2—C3	−0.3 (4)	O1—Cd1—N3—C4	83.5 (2)
C1—C2—C3—N2	0.2 (4)	C10—C9—N4—N5	−0.4 (3)
N3—C5—C6—C7	−1.7 (5)	C10—C9—N4—C5	−176.8 (3)
N4—C5—C6—C7	178.2 (3)	N3—C5—N4—C9	−176.9 (3)
C5—C6—C7—C8	0.3 (5)	C6—C5—N4—C9	3.2 (5)
C6—C7—C8—C4	1.3 (5)	N3—C5—N4—N5	7.0 (4)
N3—C4—C8—C7	−1.8 (5)	C6—C5—N4—N5	−172.9 (3)
N2—C4—C8—C7	179.1 (3)	C10—C11—N5—N4	0.2 (4)
N4—C9—C10—C11	0.5 (4)	C10—C11—N5—Cd1	179.2 (2)
C9—C10—C11—N5	−0.5 (4)	C9—N4—N5—C11	0.1 (3)
C2—C1—N1—N2	0.3 (4)	C5—N4—N5—C11	176.8 (3)
C2—C1—N1—Cd1	171.8 (2)	C9—N4—N5—Cd1	−179.10 (18)
O2—Cd1—N1—C1	55.0 (4)	C5—N4—N5—Cd1	−2.4 (3)
N5—Cd1—N1—C1	−175.4 (3)	O2—Cd1—N5—C11	−56.5 (3)
O4—Cd1—N1—C1	−78.5 (3)	O4—Cd1—N5—C11	89.0 (3)
N3—Cd1—N1—C1	−174.0 (4)	N3—Cd1—N5—C11	179.8 (3)
O3—Cd1—N1—C1	−27.5 (3)	N1—Cd1—N5—C11	−178.9 (3)
O1—Cd1—N1—C1	103.8 (3)	O3—Cd1—N5—C11	53.8 (4)
O2—Cd1—N1—N2	−134.3 (2)	O1—Cd1—N5—C11	−100.0 (3)
N5—Cd1—N1—N2	−4.7 (3)	O2—Cd1—N5—N4	122.4 (2)
O4—Cd1—N1—N2	92.3 (2)	O4—Cd1—N5—N4	−92.1 (2)
N3—Cd1—N1—N2	−3.3 (2)	N3—Cd1—N5—N4	−1.34 (19)
O3—Cd1—N1—N2	143.2 (2)	N1—Cd1—N5—N4	0.1 (3)
O1—Cd1—N1—N2	−85.4 (2)	O3—Cd1—N5—N4	−127.3 (2)
C1—N1—N2—C3	−0.1 (4)	O1—Cd1—N5—N4	78.9 (2)
Cd1—N1—N2—C3	−173.6 (2)	O2—N6—O1—Cd1	−3.4 (3)
C1—N1—N2—C4	−176.7 (3)	O2—Cd1—O1—N6	2.3 (2)
Cd1—N1—N2—C4	9.8 (3)	N5—Cd1—O1—N6	127.6 (2)
C2—C3—N2—N1	−0.1 (4)	O4—Cd1—O1—N6	−112.0 (5)
C2—C3—N2—C4	176.1 (3)	N3—Cd1—O1—N6	−165.3 (2)
N3—C4—N2—N1	−12.6 (4)	N1—Cd1—O1—N6	−99.1 (2)
C8—C4—N2—N1	166.5 (3)	O3—Cd1—O1—N6	−31.1 (3)
N3—C4—N2—C3	171.5 (3)	O1—N6—O2—Cd1	4.0 (3)
C8—C4—N2—C3	−9.4 (5)	N5—Cd1—O2—N6	−66.1 (2)
C6—C5—N3—C4	1.3 (5)	O4—Cd1—O2—N6	164.6 (2)
N4—C5—N3—C4	−178.6 (2)	N3—Cd1—O2—N6	13.5 (3)
C6—C5—N3—Cd1	171.7 (3)	N1—Cd1—O2—N6	75.3 (2)
N4—C5—N3—Cd1	−8.2 (3)	O3—Cd1—O2—N6	151.8 (2)
C8—C4—N3—C5	0.6 (4)	O1—Cd1—O2—N6	−2.3 (2)
N2—C4—N3—C5	179.7 (3)	O4—N7—O3—Cd1	−1.1 (3)
C8—C4—N3—Cd1	−169.6 (2)	O2—Cd1—O3—N7	168.8 (2)
N2—C4—N3—Cd1	9.5 (3)	N5—Cd1—O3—N7	47.8 (3)
O2—Cd1—N3—C5	−98.7 (2)	O4—Cd1—O3—N7	0.71 (19)
N5—Cd1—N3—C5	5.3 (2)	N3—Cd1—O3—N7	−54.0 (2)
O4—Cd1—N3—C5	101.9 (2)	N1—Cd1—O3—N7	−95.2 (2)
N1—Cd1—N3—C5	−173.6 (2)	O1—Cd1—O3—N7	−166.11 (18)
O3—Cd1—N3—C5	141.5 (2)	O3—N7—O4—Cd1	1.2 (3)
O1—Cd1—N3—C5	−86.4 (2)	O2—Cd1—O4—N7	−17.1 (3)
O2—Cd1—N3—C4	71.3 (2)	N5—Cd1—O4—N7	−151.9 (2)
N5—Cd1—N3—C4	175.2 (2)	N3—Cd1—O4—N7	140.7 (2)
O4—Cd1—N3—C4	−88.2 (2)	N1—Cd1—O4—N7	75.6 (2)
N1—Cd1—N3—C4	−3.6 (2)	O3—Cd1—O4—N7	−0.70 (19)
O3—Cd1—N3—C4	−48.5 (3)	O1—Cd1—O4—N7	88.4 (5)

Experimental details

Crystal data
Chemical formula	[Cd₂(NO₂)₄(C₁₁H₉N₅)₂]
M_r	831.30
Crystal system, space group	Triclinic, P1
Temperature (K)	298
a, b, c (Å)	7.7618 (13), 9.5522 (16), 10.9665 (19)
α, β, γ (°)	110.285 (2), 90.616 (2), 112.155 (2)
V (Å³)	696.9 (2)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	1.60
Crystal size (mm)	0.32 × 0.21 × 0.10

Data collection
Diffractometer	Bruker SMART APEX CCD
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.628, 0.856
No. of measured, independent and observed [I > 2σ(I)] reflections	3815, 2666, 2468
R_int	0.017
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.029, 0.076, 1.09
No. of reflections	2666
No. of parameters	208
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.56, −0.53

Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SHELXTL (Sheldrick, 2008).

Acknowledgements

This project was supported by the National Natural Science Foundation of China (No. 20971080).

References

Bessel, C. A., See, R. F., Jameson, D. L., Churchill, M. R. & Takeuchi, K. J. (1993). J. Chem. Soc. Dalton Trans. pp. 1563–1576. CSD CrossRef Web of Science Google Scholar
Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Yang, Z. N. & Sun, T. T. (2008). Acta Cryst. E64, m1374. Web of Science CSD CrossRef IUCr Journals Google Scholar

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