Poly[(μ(5)-3,5-dinitro-benzoato)rubidium].

The asymmetric unit of the title compound, [Rb(C(7)H(3)N(2)O(6))](n), comprises an Rb cation and a 3,5-dinitro-benzoate anion. The Rb cation is eight-coordinated by O atoms from five 3,5-dinitro-benzoate anions. On the other hand, each 3,5-dinitro-benzoate anion links five Rb cations with the carboxyl-ate groups as μ(3)-bridging. The metal atom is firstly linked by the carboxyl-ate groups into a chain along the c-axis direction, which is further linked by bonds between the Rb and nitro O atoms, giving a three-dimensional framework.

Related literature

For 3,5-dinitro­benzoate complexes, see: Askarinejad et al. (2007 ▶); Madej et al. (2007 ▶). For Rb—O bond lengths, see: Cametti et al. (2005 ▶).

Experimental

Crystal data

[Rb(C7H3N2O6)]

M = 296.58

Monoclinic,

a = 7.2789 (15) Å

b = 18.072 (4) Å

c = 7.3652 (14) Å

β = 91.70 (3)°

V = 968.4 (3) Å3

Z = 4

Mo Kα radiation

μ = 5.13 mm−1

T = 293 K

0.64 × 0.40 × 0.14 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.396, T max = 1.000

4663 measured reflections

896 independent reflections

760 reflections with I > 2σ(I)

R int = 0.053

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.078

S = 1.06

896 reflections

75 parameters

H-atom parameters constrained

Δρmax = 0.29 e Å−3

Δρmin = −0.55 e Å−3

Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT (Bruker, 2002 ▶); 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.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811023026/go2012sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811023026/go2012Isup2.hkl

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

[Rb(C7H3N2O6)]	F(000) = 576
Mr = 296.58	Dx = 2.034 Mg m−3
Monoclinic, I2/a	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -I 2ya	Cell parameters from 1610 reflections
a = 7.2789 (15) Å	θ = 3.0–25.4°
b = 18.072 (4) Å	µ = 5.13 mm−1
c = 7.3652 (14) Å	T = 293 K
β = 91.70 (3)°	Prism, colorless
V = 968.4 (3) Å3	0.64 × 0.40 × 0.14 mm
Z = 4

Bruker SMART CCD diffractometer	896 independent reflections
Radiation source: fine-focus sealed tube	760 reflections with I > 2σ(I)
graphite	Rint = 0.053
φ and ω scans	θmax = 25.3°, θmin = 3.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −8→8
Tmin = 0.396, Tmax = 1.000	k = −21→20
4663 measured reflections	l = −8→7

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)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.078	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.0418P)2] where P = (Fo2 + 2Fc2)/3
896 reflections	(Δ/σ)max = 0.001
75 parameters	Δρmax = 0.29 e Å−3
0 restraints	Δρmin = −0.55 e Å−3

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.

	x	y	z	Uiso*/Ueq
Rb1	0.2500	0.54657 (2)	0.5000	0.0557 (2)
C1	0.7500	0.8732 (3)	0.5000	0.0493 (11)
H1A	0.7500	0.9246	0.5000	0.059*
C2	0.6036 (4)	0.83316 (17)	0.5606 (4)	0.0451 (8)
C3	0.5991 (4)	0.75684 (17)	0.5597 (4)	0.0421 (7)
H3A	0.4961	0.7316	0.5986	0.050*
C4	0.7500	0.7185 (2)	0.5000	0.0387 (10)
C5	0.7500	0.6342 (2)	0.5000	0.0398 (10)
N1	0.4460 (5)	0.87295 (16)	0.6344 (4)	0.0595 (8)
O1	0.6019 (3)	0.60328 (12)	0.5293 (4)	0.0649 (7)
O2	0.3212 (4)	0.83742 (15)	0.6978 (4)	0.0696 (7)
O3	0.4500 (5)	0.94073 (15)	0.6317 (5)	0.0913 (11)

	U11	U22	U33	U12	U13	U23
Rb1	0.0317 (3)	0.0382 (3)	0.0985 (4)	0.000	0.0213 (2)	0.000
C1	0.066 (3)	0.040 (2)	0.043 (3)	0.000	0.004 (2)	0.000
C2	0.0482 (19)	0.0444 (17)	0.0429 (17)	0.0112 (15)	0.0053 (14)	0.0032 (14)
C3	0.0381 (17)	0.0441 (16)	0.0441 (17)	0.0020 (15)	0.0020 (13)	0.0032 (14)
C4	0.035 (2)	0.042 (2)	0.039 (2)	0.000	−0.0038 (18)	0.000
C5	0.028 (2)	0.035 (2)	0.056 (3)	0.000	−0.0009 (19)	0.000
N1	0.068 (2)	0.0532 (18)	0.0576 (18)	0.0181 (16)	0.0117 (15)	0.0056 (15)
O1	0.0359 (13)	0.0414 (12)	0.118 (2)	−0.0037 (11)	0.0118 (13)	0.0012 (13)
O2	0.0555 (16)	0.0686 (17)	0.0860 (18)	0.0089 (13)	0.0222 (14)	−0.0045 (14)
O3	0.113 (3)	0.0515 (15)	0.112 (2)	0.0326 (16)	0.049 (2)	0.0202 (16)

Rb1—O1	2.761 (2)	C1—C2	1.374 (4)
Rb1—O1i	2.925 (2)	C1—C2iii	1.374 (4)
Rb1—O2ii	3.113 (3)	C1—H1A	0.9300
Rb1—O3ii	3.125 (3)	C2—C3	1.380 (4)
O1—Rb1—O1iv	136.43 (9)	C1—C2—C3	122.9 (3)
O1—Rb1—O1i	132.92 (7)	C1—C2—N1	118.9 (3)
O1iv—Rb1—O1i	90.36 (6)	C3—C2—N1	118.2 (3)
O1i—Rb1—O1v	44.43 (9)	C2—C3—C4	118.9 (3)
O1—Rb1—O2ii	82.42 (8)	C2—C3—H3A	120.5
O1iv—Rb1—O2ii	68.41 (8)	C4—C3—H3A	120.5
O1i—Rb1—O2ii	120.08 (7)	C3iii—C4—C3	119.9 (4)
O1v—Rb1—O2ii	138.23 (8)	C3—C4—C5	120.07 (19)
O2ii—Rb1—O2vi	95.32 (11)	O1—C5—O1iii	126.3 (4)
O1—Rb1—O3ii	111.10 (10)	O1—C5—C4	116.83 (19)
O1iv—Rb1—O3ii	65.51 (9)	O1iii—C5—C4	116.83 (19)
O1i—Rb1—O3ii	79.74 (8)	O2—N1—O3	123.5 (3)
O1v—Rb1—O3ii	108.31 (7)	O2—N1—C2	118.9 (3)
O2ii—Rb1—O3ii	40.35 (7)	O3—N1—C2	117.6 (3)
O2vi—Rb1—O3ii	131.54 (7)	C5—O1—Rb1	164.54 (19)
O2ii—Rb1—O3vi	131.54 (8)	C5—O1—Rb1v	94.6 (2)
O3ii—Rb1—O3vi	171.57 (10)	Rb1—O1—Rb1v	89.64 (6)
C2—C1—C2iii	116.5 (4)	N1—O2—Rb1ii	93.5 (2)
C2—C1—H1A	121.8	N1—O3—Rb1ii	92.7 (2)
C3—C4—C5—O1	10.3 (2)	C3—C2—N1—O2	2.7 (5)
C3iii—C4—C5—O1	−169.7 (2)	C1—C2—N1—O3	2.8 (4)
C1—C2—N1—O2	−175.8 (3)	C3—C2—N1—O3	−178.8 (3)