Bis(2,2′-bipyridine-κ2N,N′)tris­(nitrato-κ2O,O′)erbium(III)

Yang, H.

doi:10.1107/S1600536812014031

metal-organic compounds

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Volume 68| Part 5| May 2012| Page m577

doi:10.1107/S1600536812014031

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Bis(2,2′-bipyridine-κ²N,N′)tris(nitrato-κ²O,O′)erbium(III)

Hua Yang ^a ^*

^aCollege of Chemistry and Chemical Engineering, Yan'an University, Yan'an, Shaanxi 716000, People's Republic of China
^*Correspondence e-mail: Yanghua7687@163.com

(Received 16 March 2012; accepted 31 March 2012; online 13 April 2012)

The asymmetric unit of the title compound, [Er(NO₃)₃(C₁₀H₈N₂)₂], contains one-half molecule situated on a twofold rotation axis. The Er^III ion is in a tenfold coordination by six O atoms from three NO₃⁻ anions and four N atoms from two 2,2′-bipyridine ligands in a distorted bicapped dodecahedral geometry. In the crystal, weak C—H⋯O hydrogen bonds hold the molecules together.

Related literature

For the crystal structures of related erbium complexes with 2,2′-bipyridine, see: Lu et al. (1995 ); Su et al. (1996 ); Staveren et al. (2000 ); Roh et al. (2005 ); Estrader et al. (2006 ); Ren et al. (2006 ). For potential applications of related complexes, see: Huskowska et al. (2002 ); Li et al. (2007 ); Puntus et al. (2009 ).

Experimental

Crystal data

[Er(NO₃)₃(C₁₀H₈N₂)₂]
M_r = 665.66
Orthorhombic, P b c n
a = 16.5762 (4) Å
b = 9.1158 (2) Å
c = 15.0288 (4) Å
V = 2270.93 (10) Å³
Z = 4
Mo Kα radiation
μ = 3.76 mm⁻¹
T = 296 K
0.25 × 0.23 × 0.18 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ) T_min = 0.453, T_max = 0.551
11877 measured reflections
2859 independent reflections
2127 reflections with I > 2σ(I)
R_int = 0.016

Refinement

R[F² > 2σ(F²)] = 0.018
wR(F²) = 0.051
S = 1.06
2859 reflections
169 parameters
8 restraints
H-atom parameters constrained
Δρ_max = 0.51 e Å⁻³
Δρ_min = −1.07 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C5—H5⋯O6ⁱ	0.93	2.45	3.325 (6)	157
C7—H7⋯O4ⁱⁱ	0.93	2.49	3.274 (6)	142
Symmetry codes: (i) $[x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z+1]$ .

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); 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); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536812014031/cv5264sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812014031/cv5264Isup2.hkl

checkCIF report

Comment top

The synthesis and characterization of lanthanide complexes supported by N,O-chelating ligands and 2,2'-bipyridine have attracted continuous interest, due to the potential application of these compounds in magnetic, electronic and luminescent devices (Puntus et al., 2009). Particularly, it was found that the coordination of 2,2'-bipyridine to the metal centers of the complexes could effectively tune the structures and properties of the resulting complexes (Li et al., 2007; Huskowska et al., 2002). Several erbium complexes with 2,2'-bipyridine have been reported (Staveren et al., 2000; Su et al., 1996; Lu et al., 1995; Estrader et al., 2006; Ren et al., 2006; Roh et al., 2005). In our attempts to synthesize the Er^III complex supported by salicylaldehyde thiosemicarbazone and 2,2'-bipyridine, we obtained the title compound (I).

In (I) (Fig. 1), each NO₃^- anion chelates to the metal center in a bidentate fashion. The central Er^III ion adopts distorted bicapped dodecahedron geometry. The weak intermolecular C—H···O hydrogen bonds (Table 1) held the molecules together (Fig. 2).

Related literature top

For the crystal structures of related erbium complexes with 2,2'-bipyridine, see: Lu et al. (1995); Su et al. (1996); Staveren et al. (2000); Roh et al. (2005); Estrader et al. (2006); Ren et al. (2006). For potential applications of related complexes, see: Huskowska et al. (2002); Li et al. (2007); Puntus et al. (2009).

Experimental top

A mixture of Er(NO₃)₃.6H₂O (0.0460 g, 0.1 mmol), 2,2'-bipyridine (0.0312 g, 0.2 mmol), salicylaldehyde thiosemicarbazone (0.0195 g, 0.1 mmol) and C₂H₅OH (3 ml) was sealed in a 6 ml Pyrex-tube. The tube was heated at 70 ^oC for 3 days under autogenous pressure. Cooling of the resultant solution to room temperature gave light pink crystals. The crystals were collected by filtration, washed with C₂H₅OH (2 ml) and dried in air.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); 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 (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of the title compound, with atom labels and 30% probability displacement ellipsoids [symmetry code: (A) -x, y, -z + 1/2)]. The H atoms have been omitted for clarity.
	Fig. 2. A portion of the crystal packing viewed down the c-axis. Hydrogen bonds are shown as dashed lines.

Bis(2,2'-bipyridine-κ²N,N')tris(nitrato- κ²O,O')erbium(III) top

Crystal data top

[Er(NO₃)₃(C₁₀H₈N₂)₂]	F(000) = 1300
M_r = 665.66	D_x = 1.947 Mg m⁻³
Orthorhombic, Pbcn	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2n 2ab	Cell parameters from 5852 reflections
a = 16.5762 (4) Å	θ = 2.6–26.5°
b = 9.1158 (2) Å	µ = 3.76 mm⁻¹
c = 15.0288 (4) Å	T = 296 K
V = 2270.93 (10) Å³	Block, pink
Z = 4	0.25 × 0.23 × 0.18 mm

Data collection top

Bruker SMART CCD diffractometer	2859 independent reflections
Radiation source: fine-focus sealed tube	2127 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.016
ϕ scans and ω scans	θ_max = 28.5°, θ_min = 2.5°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −22→22
T_min = 0.453, T_max = 0.551	k = −12→7
11877 measured reflections	l = −20→15

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)] = 0.018	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.051	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.0189P)² + 3.3713P] where P = (F_o² + 2F_c²)/3
2859 reflections	(Δ/σ)_max = 0.010
169 parameters	Δρ_max = 0.51 e Å⁻³
8 restraints	Δρ_min = −1.07 e Å⁻³

Crystal data top

[Er(NO₃)₃(C₁₀H₈N₂)₂]	V = 2270.93 (10) Å³
M_r = 665.66	Z = 4
Orthorhombic, Pbcn	Mo Kα radiation
a = 16.5762 (4) Å	µ = 3.76 mm⁻¹
b = 9.1158 (2) Å	T = 296 K
c = 15.0288 (4) Å	0.25 × 0.23 × 0.18 mm

Data collection top

Bruker SMART CCD diffractometer	2859 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2000)	2127 reflections with I > 2σ(I)
T_min = 0.453, T_max = 0.551	R_int = 0.016
11877 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.018	8 restraints
wR(F²) = 0.051	H-atom parameters constrained
S = 1.06	Δρ_max = 0.51 e Å⁻³
2859 reflections	Δρ_min = −1.07 e Å⁻³
169 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
Er1	0.0000	0.59232 (2)	0.2500	0.02279 (8)
O1	0.0000	1.0374 (6)	0.2500	0.0790 (13)
O2	0.0381 (2)	0.8323 (4)	0.3082 (3)	0.0487 (8)
O4	−0.1240 (3)	0.7247 (6)	0.4738 (3)	0.0789 (15)
O5	−0.01985 (19)	0.6182 (4)	0.4172 (2)	0.0391 (8)
O6	−0.11602 (17)	0.6865 (4)	0.3319 (2)	0.0393 (7)
N1	0.0000	0.9058 (6)	0.2500	0.0535 (12)
N2	−0.0876 (2)	0.6777 (5)	0.4101 (3)	0.0411 (9)
N4	0.12765 (19)	0.5175 (4)	0.3252 (2)	0.0305 (8)
N5	0.0672 (2)	0.3730 (4)	0.1854 (2)	0.0295 (7)
C1	0.1431 (2)	0.3387 (5)	0.2090 (3)	0.0320 (9)
C2	0.0322 (3)	0.2940 (5)	0.1210 (3)	0.0386 (10)
H2	−0.0203	0.3175	0.1044	0.046*
C3	0.0699 (3)	0.1800 (6)	0.0783 (4)	0.0487 (12)
H3	0.0435	0.1277	0.0338	0.058*
C4	0.1470 (4)	0.1449 (7)	0.1025 (4)	0.0591 (15)
H4	0.1738	0.0676	0.0750	0.071*
C5	0.1845 (3)	0.2258 (6)	0.1683 (4)	0.0495 (13)
H5	0.2372	0.2043	0.1851	0.059*
C6	0.2890 (3)	0.5056 (6)	0.3713 (4)	0.0508 (13)
H6	0.3436	0.5042	0.3852	0.061*
C7	0.2369 (3)	0.5918 (6)	0.4189 (4)	0.0466 (13)
H7	0.2549	0.6468	0.4671	0.056*
C8	0.1569 (3)	0.5945 (5)	0.3933 (3)	0.0401 (11)
H8	0.1215	0.6534	0.4254	0.048*
C9	0.2597 (3)	0.4212 (6)	0.3027 (4)	0.0430 (12)
H9	0.2941	0.3599	0.2709	0.052*
C10	0.1788 (2)	0.4283 (5)	0.2813 (3)	0.0312 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Er1	0.01451 (11)	0.02538 (13)	0.02849 (13)	0.000	−0.00210 (10)	0.000
O1	0.130 (4)	0.030 (2)	0.077 (3)	0.000	0.029 (2)	0.000
O2	0.0448 (19)	0.0446 (19)	0.057 (2)	−0.0123 (16)	0.0024 (16)	−0.0140 (16)
O4	0.061 (3)	0.131 (4)	0.045 (2)	0.038 (3)	0.012 (2)	−0.023 (3)
O5	0.0302 (15)	0.0477 (19)	0.0395 (18)	0.0095 (13)	−0.0062 (13)	−0.0049 (15)
O6	0.0268 (15)	0.052 (2)	0.0386 (18)	0.0071 (14)	−0.0040 (13)	−0.0030 (15)
N1	0.068 (4)	0.027 (2)	0.066 (3)	0.000	0.027 (2)	0.000
N2	0.0324 (19)	0.052 (2)	0.039 (2)	0.0068 (18)	0.0021 (17)	−0.0051 (19)
N4	0.0216 (15)	0.0360 (19)	0.034 (2)	0.0031 (14)	−0.0041 (14)	−0.0003 (16)
N5	0.0270 (17)	0.0315 (18)	0.0299 (18)	0.0010 (14)	0.0023 (14)	−0.0008 (15)
C1	0.029 (2)	0.034 (2)	0.033 (2)	0.0056 (17)	0.0025 (18)	0.0036 (19)
C2	0.038 (2)	0.040 (2)	0.037 (2)	0.000 (2)	−0.001 (2)	−0.002 (2)
C3	0.062 (3)	0.044 (3)	0.040 (3)	0.002 (2)	0.001 (2)	−0.011 (2)
C4	0.071 (4)	0.053 (3)	0.053 (4)	0.022 (3)	0.007 (3)	−0.014 (3)
C5	0.042 (3)	0.056 (3)	0.051 (3)	0.020 (2)	0.005 (2)	−0.003 (3)
C6	0.024 (2)	0.065 (3)	0.064 (4)	0.004 (2)	−0.013 (2)	0.009 (3)
C7	0.036 (3)	0.052 (3)	0.051 (3)	−0.001 (2)	−0.019 (2)	−0.002 (2)
C8	0.029 (2)	0.049 (3)	0.042 (3)	0.0061 (19)	−0.0081 (19)	−0.008 (2)
C9	0.025 (2)	0.051 (3)	0.053 (3)	0.0123 (19)	−0.002 (2)	0.004 (2)
C10	0.0232 (19)	0.036 (2)	0.034 (2)	0.0068 (16)	0.0002 (17)	0.0059 (18)

Geometric parameters (Å, º) top

Er1—O2ⁱ	2.439 (3)	N5—C1	1.345 (5)
Er1—O2	2.439 (3)	C1—C5	1.380 (6)
Er1—O6	2.439 (3)	C1—C10	1.482 (7)
Er1—O6ⁱ	2.439 (3)	C2—C3	1.372 (7)
Er1—N5	2.486 (3)	C2—H2	0.9300
Er1—N5ⁱ	2.486 (3)	C3—C4	1.367 (8)
Er1—N4ⁱ	2.494 (3)	C3—H3	0.9300
Er1—N4	2.494 (3)	C4—C5	1.382 (8)
Er1—O5ⁱ	2.544 (3)	C4—H4	0.9300
Er1—O5	2.544 (3)	C5—H5	0.9300
O1—N1	1.199 (8)	C6—C7	1.369 (8)
O2—N1	1.270 (5)	C6—C9	1.375 (8)
O4—N2	1.210 (5)	C6—H6	0.9300
O5—N2	1.251 (5)	C7—C8	1.381 (6)
O6—N2	1.270 (5)	C7—H7	0.9300
N1—O2ⁱ	1.270 (5)	C8—H8	0.9300
N4—C8	1.333 (6)	C9—C10	1.381 (6)
N4—C10	1.347 (5)	C9—H9	0.9300
N5—C2	1.339 (6)

O2ⁱ—Er1—O2	52.50 (19)	N2—O5—Er1	94.2 (3)
O2ⁱ—Er1—O6	70.17 (12)	N2—O6—Er1	98.8 (2)
O2—Er1—O6	73.01 (12)	O1—N1—O2ⁱ	121.9 (3)
O2ⁱ—Er1—O6ⁱ	73.01 (12)	O1—N1—O2	121.9 (3)
O2—Er1—O6ⁱ	70.17 (12)	O2ⁱ—N1—O2	116.2 (5)
O6—Er1—O6ⁱ	138.78 (17)	O4—N2—O5	122.3 (4)
O2ⁱ—Er1—N5	134.21 (13)	O4—N2—O6	121.7 (4)
O2—Er1—N5	138.18 (12)	O5—N2—O6	116.0 (4)
O6—Er1—N5	146.44 (11)	C8—N4—C10	117.7 (4)
O6ⁱ—Er1—N5	74.51 (11)	C8—N4—Er1	120.8 (3)
O2ⁱ—Er1—N5ⁱ	138.18 (12)	C10—N4—Er1	118.5 (3)
O2—Er1—N5ⁱ	134.21 (13)	C2—N5—C1	118.1 (4)
O6—Er1—N5ⁱ	74.51 (12)	C2—N5—Er1	121.4 (3)
O6ⁱ—Er1—N5ⁱ	146.44 (11)	C1—N5—Er1	120.2 (3)
N5—Er1—N5ⁱ	72.93 (16)	N5—C1—C5	121.5 (4)
O2ⁱ—Er1—N4ⁱ	82.13 (12)	N5—C1—C10	116.0 (4)
O2—Er1—N4ⁱ	128.87 (12)	C5—C1—C10	122.5 (4)
O6—Er1—N4ⁱ	69.87 (11)	N5—C2—C3	123.3 (5)
O6ⁱ—Er1—N4ⁱ	122.46 (11)	N5—C2—H2	118.4
N5—Er1—N4ⁱ	89.02 (11)	C3—C2—H2	118.4
N5ⁱ—Er1—N4ⁱ	64.99 (12)	C4—C3—C2	118.6 (5)
O2ⁱ—Er1—N4	128.87 (12)	C4—C3—H3	120.7
O2—Er1—N4	82.13 (12)	C2—C3—H3	120.7
O6—Er1—N4	122.46 (11)	C3—C4—C5	119.1 (5)
O6ⁱ—Er1—N4	69.87 (11)	C3—C4—H4	120.4
N5—Er1—N4	64.99 (12)	C5—C4—H4	120.4
N5ⁱ—Er1—N4	89.02 (11)	C1—C5—C4	119.4 (5)
N4ⁱ—Er1—N4	148.26 (17)	C1—C5—H5	120.3
O2ⁱ—Er1—O5ⁱ	66.21 (12)	C4—C5—H5	120.3
O2—Er1—O5ⁱ	103.72 (12)	C7—C6—C9	119.4 (4)
O6—Er1—O5ⁱ	124.56 (10)	C7—C6—H6	120.3
O6ⁱ—Er1—O5ⁱ	50.76 (10)	C9—C6—H6	120.3
N5—Er1—O5ⁱ	68.33 (11)	C6—C7—C8	118.1 (5)
N5ⁱ—Er1—O5ⁱ	121.21 (11)	C6—C7—H7	121.0
N4ⁱ—Er1—O5ⁱ	71.80 (11)	C8—C7—H7	121.0
N4—Er1—O5ⁱ	111.28 (11)	N4—C8—C7	123.6 (5)
O2ⁱ—Er1—O5	103.72 (12)	N4—C8—H8	118.2
O2—Er1—O5	66.21 (12)	C7—C8—H8	118.2
O6—Er1—O5	50.76 (10)	C6—C9—C10	119.4 (5)
O6ⁱ—Er1—O5	124.56 (10)	C6—C9—H9	120.3
N5—Er1—O5	121.21 (11)	C10—C9—H9	120.3
N5ⁱ—Er1—O5	68.33 (11)	N4—C10—C9	121.7 (5)
N4ⁱ—Er1—O5	111.28 (11)	N4—C10—C1	116.1 (4)
N4—Er1—O5	71.80 (11)	C9—C10—C1	122.2 (4)
O5ⁱ—Er1—O5	169.37 (15)

O2ⁱ—Er1—O2—N1	0.001 (1)	O5ⁱ—Er1—N4—C10	−33.6 (3)
O6—Er1—O2—N1	−77.72 (18)	O5—Er1—N4—C10	157.2 (3)
O6ⁱ—Er1—O2—N1	83.41 (19)	N1—Er1—N4—C10	−124.0 (3)
N5—Er1—O2—N1	117.4 (2)	O2ⁱ—Er1—N5—C2	−65.7 (4)
N5ⁱ—Er1—O2—N1	−124.34 (19)	O2—Er1—N5—C2	−144.9 (3)
N4ⁱ—Er1—O2—N1	−32.8 (3)	O6—Er1—N5—C2	61.9 (4)
N4—Er1—O2—N1	154.8 (2)	O6ⁱ—Er1—N5—C2	−111.8 (4)
O5ⁱ—Er1—O2—N1	44.7 (2)	N5ⁱ—Er1—N5—C2	76.4 (3)
O5—Er1—O2—N1	−131.7 (2)	N4ⁱ—Er1—N5—C2	12.3 (3)
O2ⁱ—Er1—O5—N2	46.4 (3)	N4—Er1—N5—C2	173.5 (4)
O2—Er1—O5—N2	83.9 (3)	O5ⁱ—Er1—N5—C2	−58.4 (3)
O6—Er1—O5—N2	−3.1 (2)	O5—Er1—N5—C2	126.8 (3)
O6ⁱ—Er1—O5—N2	125.0 (3)	N1—Er1—N5—C2	−103.6 (3)
N5—Er1—O5—N2	−142.8 (3)	O2ⁱ—Er1—N5—C1	108.3 (3)
N5ⁱ—Er1—O5—N2	−90.4 (3)	O2—Er1—N5—C1	29.1 (4)
N4ⁱ—Er1—O5—N2	−40.4 (3)	O6—Er1—N5—C1	−124.1 (3)
N4—Er1—O5—N2	173.2 (3)	O6ⁱ—Er1—N5—C1	62.2 (3)
O5ⁱ—Er1—O5—N2	64.6 (3)	N5ⁱ—Er1—N5—C1	−109.6 (4)
O2ⁱ—Er1—O6—N2	−125.3 (3)	N4ⁱ—Er1—N5—C1	−173.7 (3)
O2—Er1—O6—N2	−69.8 (3)	N4—Er1—N5—C1	−12.5 (3)
O6ⁱ—Er1—O6—N2	−97.3 (3)	O5ⁱ—Er1—N5—C1	115.6 (3)
N5—Er1—O6—N2	91.9 (3)	O5—Er1—N5—C1	−59.2 (3)
N5ⁱ—Er1—O6—N2	77.5 (3)	N1—Er1—N5—C1	70.4 (4)
N4ⁱ—Er1—O6—N2	146.1 (3)	C2—N5—C1—C5	0.2 (7)
N4—Er1—O6—N2	−1.1 (3)	Er1—N5—C1—C5	−174.0 (4)
O5ⁱ—Er1—O6—N2	−165.0 (3)	C2—N5—C1—C10	−179.3 (4)
O5—Er1—O6—N2	3.1 (2)	Er1—N5—C1—C10	6.5 (5)
Er1—O2—N1—O1	180.000 (1)	C1—N5—C2—C3	0.1 (7)
Er1—O2—N1—O2ⁱ	−0.001 (1)	Er1—N5—C2—C3	174.3 (4)
Er1—O5—N2—O4	−174.6 (5)	N5—C2—C3—C4	0.0 (8)
Er1—O5—N2—O6	5.1 (4)	C2—C3—C4—C5	−0.5 (9)
Er1—O6—N2—O4	174.4 (5)	N5—C1—C5—C4	−0.7 (8)
Er1—O6—N2—O5	−5.4 (4)	C10—C1—C5—C4	178.8 (5)
O2ⁱ—Er1—N4—C8	50.6 (4)	C3—C4—C5—C1	0.9 (9)
O2—Er1—N4—C8	24.8 (4)	C9—C6—C7—C8	−2.5 (8)
O6—Er1—N4—C8	−39.2 (4)	C10—N4—C8—C7	2.5 (7)
O6ⁱ—Er1—N4—C8	96.5 (4)	Er1—N4—C8—C7	−157.8 (4)
N5—Er1—N4—C8	178.3 (4)	C6—C7—C8—N4	0.3 (8)
N5ⁱ—Er1—N4—C8	−110.1 (4)	C7—C6—C9—C10	2.0 (8)
N4ⁱ—Er1—N4—C8	−143.9 (4)	C8—N4—C10—C9	−3.1 (7)
O5ⁱ—Er1—N4—C8	126.5 (3)	Er1—N4—C10—C9	157.7 (4)
O5—Er1—N4—C8	−42.6 (3)	C8—N4—C10—C1	176.9 (4)
N1—Er1—N4—C8	36.1 (4)	Er1—N4—C10—C1	−22.3 (5)
O2ⁱ—Er1—N4—C10	−109.6 (3)	C6—C9—C10—N4	0.9 (8)
O2—Er1—N4—C10	−135.3 (3)	C6—C9—C10—C1	−179.1 (5)
O6—Er1—N4—C10	160.6 (3)	N5—C1—C10—N4	10.4 (6)
O6ⁱ—Er1—N4—C10	−63.6 (3)	C5—C1—C10—N4	−169.1 (4)
N5—Er1—N4—C10	18.2 (3)	N5—C1—C10—C9	−169.6 (4)
N5ⁱ—Er1—N4—C10	89.7 (3)	C5—C1—C10—C9	11.0 (7)
N4ⁱ—Er1—N4—C10	56.0 (3)

Symmetry code: (i) −x, y, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C5—H5···O6ⁱⁱ	0.93	2.45	3.325 (6)	157
C7—H7···O4ⁱⁱⁱ	0.93	2.49	3.274 (6)	142

Symmetry codes: (ii) x+1/2, y−1/2, −z+1/2; (iii) x+1/2, −y+3/2, −z+1.

Experimental details

Crystal data
Chemical formula	[Er(NO₃)₃(C₁₀H₈N₂)₂]
M_r	665.66
Crystal system, space group	Orthorhombic, Pbcn
Temperature (K)	296
a, b, c (Å)	16.5762 (4), 9.1158 (2), 15.0288 (4)
V (Å³)	2270.93 (10)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	3.76
Crystal size (mm)	0.25 × 0.23 × 0.18

Data collection
Diffractometer	Bruker SMART CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2000)
T_min, T_max	0.453, 0.551
No. of measured, independent and observed [I > 2σ(I)] reflections	11877, 2859, 2127
R_int	0.016
(sin θ/λ)_max (Å⁻¹)	0.672

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.018, 0.051, 1.06
No. of reflections	2859
No. of parameters	169
No. of restraints	8
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.51, −1.07

Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C5—H5···O6ⁱ	0.93	2.45	3.325 (6)	156.6
C7—H7···O4ⁱⁱ	0.93	2.49	3.274 (6)	142.2

Symmetry codes: (i) x+1/2, y−1/2, −z+1/2; (ii) x+1/2, −y+3/2, −z+1.

Acknowledgements

The author appreciates financial support from Yanan University (grant No. YD2011–20) and the Science and Technology Bureau of Yanan City (grant No. kn2009–16).

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