catena-Poly[[(nitrato-κO)(1,10-phenanthroline-κN,N')manganese(II)]-μ-nitrato-κO:O'].

In the crystal structure of the title compound, [Mn(NO(3))(2)(C(12)H(8)N(2))](n), the Mn(II) atoms are linked by nitrate ligands to form a chain. Each Mn(II) atom is five-coordinated by two N atoms of a 1,10-phenanthroline ligand and three O atoms of two nitrates within a trigonal-bipyramidal coordination geometry. In the crystal structure, the chains are linked by hydrogen bonds into a polymeric ribbon structure.

Related literature

For general background, see: Desiraju (1995 ▶, 1997 ▶); Braga et al. (1998 ▶); Wu et al. (2003 ▶); Pan & Xu (2004 ▶); Liu et al. (2004 ▶); Li et al. (2005 ▶). For bond-length data, see: Allen et al. (1987 ▶).

Experimental

Crystal data

[Mn(NO3)2(C12H8N2)]

M = 359.16

Monoclinic,

a = 8.7116 (13) Å

b = 9.1824 (11) Å

c = 17.1183 (17) Å

β = 102.159 (4)°

V = 1338.6 (3) Å3

Z = 4

Mo Kα radiation

μ = 1.03 mm−1

T = 273 (2) K

0.42 × 0.23 × 0.20 mm

Data collection

Bruker APEXII area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.672, T max = 0.819

8124 measured reflections

2545 independent reflections

2194 reflections with I > 2σ(I)

R int = 0.017

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.093

S = 1.01

2545 reflections

209 parameters

H-atom parameters constrained

Δρmax = 0.36 e Å−3

Δρmin = −0.29 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Siemens, 1996 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL (Siemens, 1996 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053680706254X/at2505sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053680706254X/at2505Isup2.hkl

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

[Mn(NO3)2(C12H8N2)]	F000 = 724
Mr = 359.16	Dx = 1.782 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -p 2yn	Cell parameters from 5711 reflections
a = 8.7116 (13) Å	θ = 2.1–27.1º
b = 9.1824 (11) Å	µ = 1.03 mm−1
c = 17.1183 (17) Å	T = 273 (2) K
β = 102.159 (4)º	Prism, colourless
V = 1338.6 (3) Å3	0.42 × 0.23 × 0.20 mm
Z = 4

Bruker APEXII area-detector diffractometer	2545 independent reflections
Radiation source: fine-focus sealed tube	2194 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.017
T = 273(2) K	θmax = 26.1º
φ and ω scans	θmin = 2.4º
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)	h = −10→10
Tmin = 0.672, Tmax = 0.819	k = −11→11
8124 measured reflections	l = −21→21

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.033	w = 1/[σ2(Fo2) + (0.0602P)2 + 0.5483P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.093	(Δ/σ)max = 0.001
S = 1.01	Δρmax = 0.36 e Å−3
2545 reflections	Δρmin = −0.29 e Å−3
209 parameters	Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0179 (16)
Secondary atom site location: difference Fourier map

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
Mn1	0.66502 (3)	0.92794 (3)	0.803177 (16)	0.03141 (15)
O1	0.6879 (2)	0.73412 (19)	0.75168 (10)	0.0520 (4)
O2	0.5484 (2)	1.0052 (2)	0.70206 (11)	0.0587 (5)
O3	0.3466 (3)	0.9003 (3)	0.72914 (16)	0.0906 (8)
O4	0.3287 (3)	1.0285 (3)	0.62191 (14)	0.0772 (6)
O5	0.6208 (2)	0.5057 (2)	0.74824 (12)	0.0593 (5)
O6	0.5458 (3)	0.6518 (2)	0.83135 (14)	0.0755 (6)
N1	0.6080 (2)	1.0941 (2)	0.86880 (13)	0.0464 (5)
N2	0.7953 (2)	0.8670 (2)	0.90779 (12)	0.0452 (4)
N3	0.6159 (2)	0.6285 (2)	0.77856 (13)	0.0470 (5)
N4	0.4025 (3)	0.9772 (3)	0.68402 (13)	0.0516 (5)
C1	0.5211 (3)	1.2101 (3)	0.84667 (17)	0.0538 (6)
H1	0.4829	1.2263	0.7924	0.065*
C2	0.4835 (3)	1.3108 (3)	0.90171 (19)	0.0600 (7)
H2	0.4227	1.3922	0.8838	0.072*
C3	0.5365 (3)	1.2882 (3)	0.98057 (19)	0.0601 (7)
H3	0.5100	1.3523	1.0176	0.072*
C4	0.6324 (3)	1.1667 (3)	1.00645 (15)	0.0488 (6)
C5	0.6988 (3)	1.1334 (3)	1.08805 (16)	0.0568 (6)
H5	0.6749	1.1919	1.1282	0.068*
C6	0.7949 (3)	1.0191 (3)	1.10763 (16)	0.0553 (6)
H6	0.8361	1.0000	1.1613	0.066*
C7	0.8364 (3)	0.9249 (3)	1.04801 (15)	0.0466 (5)
C8	0.9424 (3)	0.8080 (3)	1.06332 (15)	0.0537 (6)
H8	0.9924	0.7863	1.1156	0.064*
C9	0.9722 (3)	0.7263 (3)	1.00167 (17)	0.0564 (6)
H9	1.0438	0.6499	1.0116	0.068*
C10	0.8953 (3)	0.7578 (3)	0.92411 (16)	0.0522 (6)
H10	0.9146	0.7004	0.8825	0.063*
C11	0.7670 (3)	0.9514 (3)	0.96834 (14)	0.0420 (5)
C12	0.6658 (3)	1.0727 (2)	0.94761 (15)	0.0428 (5)

	U11	U22	U33	U12	U13	U23
Mn1	0.0374 (2)	0.0301 (2)	0.02529 (19)	0.00252 (12)	0.00320 (13)	0.00100 (11)
O1	0.0628 (10)	0.0482 (10)	0.0459 (9)	−0.0052 (8)	0.0131 (8)	−0.0007 (7)
O2	0.0537 (10)	0.0658 (13)	0.0514 (10)	−0.0071 (9)	−0.0008 (8)	0.0128 (9)
O3	0.0735 (14)	0.130 (2)	0.0678 (14)	−0.0247 (14)	0.0136 (12)	0.0269 (15)
O4	0.0677 (12)	0.0828 (14)	0.0691 (14)	−0.0060 (11)	−0.0129 (11)	0.0214 (12)
O5	0.0581 (10)	0.0475 (11)	0.0722 (12)	−0.0049 (8)	0.0134 (9)	−0.0144 (9)
O6	0.0910 (15)	0.0644 (13)	0.0845 (15)	−0.0048 (11)	0.0492 (13)	−0.0075 (11)
N1	0.0483 (11)	0.0441 (11)	0.0460 (11)	0.0003 (9)	0.0084 (9)	0.0041 (9)
N2	0.0508 (11)	0.0414 (10)	0.0424 (10)	0.0015 (9)	0.0074 (8)	−0.0026 (8)
N3	0.0473 (10)	0.0451 (11)	0.0493 (11)	0.0015 (9)	0.0116 (9)	−0.0043 (9)
N4	0.0535 (12)	0.0524 (12)	0.0466 (11)	−0.0017 (10)	0.0053 (10)	0.0018 (10)
C1	0.0558 (14)	0.0469 (14)	0.0563 (14)	0.0055 (12)	0.0066 (12)	0.0070 (12)
C2	0.0587 (15)	0.0467 (14)	0.0740 (18)	0.0118 (12)	0.0123 (13)	0.0039 (13)
C3	0.0628 (16)	0.0506 (15)	0.0707 (17)	0.0072 (12)	0.0227 (14)	−0.0085 (13)
C4	0.0494 (13)	0.0478 (13)	0.0526 (13)	−0.0020 (11)	0.0185 (11)	−0.0032 (11)
C5	0.0626 (15)	0.0618 (16)	0.0490 (14)	−0.0020 (13)	0.0187 (12)	−0.0102 (12)
C6	0.0608 (15)	0.0638 (16)	0.0419 (13)	0.0004 (13)	0.0121 (11)	−0.0010 (12)
C7	0.0505 (13)	0.0471 (13)	0.0419 (12)	−0.0048 (10)	0.0087 (10)	0.0029 (10)
C8	0.0596 (14)	0.0527 (14)	0.0449 (13)	−0.0003 (12)	0.0025 (11)	0.0060 (11)
C9	0.0594 (15)	0.0464 (14)	0.0592 (15)	0.0089 (12)	0.0026 (12)	0.0028 (12)
C10	0.0589 (14)	0.0439 (13)	0.0519 (14)	0.0078 (11)	0.0072 (12)	−0.0025 (11)
C11	0.0445 (12)	0.0393 (11)	0.0431 (12)	−0.0042 (9)	0.0114 (10)	−0.0007 (9)
C12	0.0428 (11)	0.0400 (12)	0.0468 (12)	−0.0047 (9)	0.0119 (10)	0.0017 (9)

Mn1—O1	2.0145 (18)	C2—C3	1.348 (4)
Mn1—O2	1.9470 (17)	C2—H2	0.9300
Mn1—O5i	2.3361 (19)	C3—C4	1.408 (4)
Mn1—N1	2.018 (2)	C3—H3	0.9300
Mn1—N2	1.988 (2)	C4—C12	1.403 (3)
O1—N3	1.291 (3)	C4—C5	1.428 (4)
O2—N4	1.269 (3)	C5—C6	1.341 (4)
O3—N4	1.221 (3)	C5—H5	0.9300
O4—N4	1.216 (3)	C6—C7	1.441 (4)
O5—N3	1.246 (3)	C6—H6	0.9300
O5—Mn1ii	2.3362 (19)	C7—C11	1.392 (4)
O6—N3	1.212 (3)	C7—C8	1.404 (4)
N1—C1	1.316 (3)	C8—C9	1.364 (4)
N1—C12	1.351 (3)	C8—H8	0.9300
N2—C10	1.319 (3)	C9—C10	1.386 (4)
N2—C11	1.358 (3)	C9—H9	0.9300
C1—C2	1.407 (4)	C10—H10	0.9300
C1—H1	0.9300	C11—C12	1.419 (3)
O1—Mn1—O5i	86.83 (7)	C2—C3—C4	119.5 (3)
O2—Mn1—O5i	82.09 (7)	C2—C3—H3	120.2
O1—Mn1—N1	165.99 (8)	C4—C3—H3	120.2
O1—Mn1—N2	93.16 (8)	C12—C4—C3	117.4 (2)
O2—Mn1—N1	94.35 (9)	C12—C4—C5	117.9 (2)
O2—Mn1—N2	174.52 (8)	C3—C4—C5	124.7 (2)
O5—Mn1—N1i	138.26 (3)	C6—C5—C4	121.0 (2)
O5—Mn1—N2i	125.23 (4)	C6—C5—H5	119.5
N1—Mn1—N2	82.65 (8)	C4—C5—H5	119.5
N3—O1—Mn1	114.06 (14)	C5—C6—C7	122.0 (2)
N4—O2—Mn1	116.78 (15)	C5—C6—H6	119.0
N3—O5—Mn1ii	122.25 (15)	C7—C6—H6	119.0
C1—N1—C12	118.4 (2)	C11—C7—C8	116.7 (2)
C1—N1—Mn1	130.26 (19)	C11—C7—C6	117.8 (2)
C12—N1—Mn1	111.27 (16)	C8—C7—C6	125.4 (2)
C10—N2—C11	119.4 (2)	C9—C8—C7	120.1 (2)
C10—N2—Mn1	129.13 (17)	C9—C8—H8	120.0
C11—N2—Mn1	111.47 (16)	C7—C8—H8	120.0
O6—N3—O5	122.5 (2)	C8—C9—C10	119.6 (2)
O6—N3—O1	119.4 (2)	C8—C9—H9	120.2
O5—N3—O1	118.0 (2)	C10—C9—H9	120.2
O4—N4—O3	124.7 (2)	N2—C10—C9	121.7 (2)
O4—N4—O2	116.9 (2)	N2—C10—H10	119.1
O3—N4—O2	118.4 (2)	C9—C10—H10	119.1
N1—C1—C2	122.7 (3)	N2—C11—C7	122.5 (2)
N1—C1—H1	118.7	N2—C11—C12	117.4 (2)
C2—C1—H1	118.7	C7—C11—C12	120.1 (2)
C3—C2—C1	119.4 (3)	N1—C12—C4	122.5 (2)
C3—C2—H2	120.3	N1—C12—C11	116.4 (2)
C1—C2—H2	120.3	C4—C12—C11	121.0 (2)

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2···O4iii	0.93	2.51	3.331 (4)	148
C10—H10···O2ii	0.93	2.37	3.276 (3)	165

Mn1—O1	2.0145 (18)
Mn1—O2	1.9470 (17)
Mn1—O5i	2.3361 (19)
Mn1—N1	2.018 (2)
Mn1—N2	1.988 (2)

O1—Mn1—O5i	86.83 (7)
O2—Mn1—O5i	82.09 (7)
O1—Mn1—N1	165.99 (8)
O1—Mn1—N2	93.16 (8)
O2—Mn1—N1	94.35 (9)
O2—Mn1—N2	174.52 (8)
O5—Mn1—N1i	138.26 (3)
O5—Mn1—N2i	125.23 (4)
N1—Mn1—N2	82.65 (8)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C2—H2⋯O4ii	0.93	2.51	3.331 (4)	148
C10—H10⋯O2iii	0.93	2.37	3.276 (3)	165

Symmetry codes: (ii) ; (iii) .