(IUCr) Hexaaquamanganese(II) dipicrate dihydrate

Volume 64
Part 2
Pages m270-m271
February 2008

Received 26 October 2007
Accepted 29 November 2007
Online 4 January 2008

Key indicators
Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.005 Å
R = 0.047
wR = 0.158
Data-to-parameter ratio = 10.1
Details

Hexaaquamanganese(II) dipicrate dihydrate

Changying Liu,^a Xiufang Shi,^b ^* Bin Du,^b Chunli Wu ^b and Mingjie Zhang ^a

^aDepartment of Chemistry, Tianjin University, Tianjin 300072, People's Republic of China, and ^bCollege of Pharmacy, Zhengzhou University, Zhengzhou 450001, People's Republic of China
Correspondence e-mail: xiufshi@yahoo.com.cn

In the title compound, [Mn(H₂O)₆](C₆H₂N₃O₇)₂·2H₂O, the manganese cation, on an inversion centre, is coordinated by six water molecules, but the picrate anion has no coordinative interaction with the manganese cation. The anions in the stack are linked via short intermolecular OC (3.013 and 2.973 Å) and CC (3.089 and 3.065 Å) contacts and hydrogen bonds.

Related literature

For related literature, see: Bibal et al. (2003); García et al. (2004); Harrowfield et al. (1995a,b); Honda et al. (2003); Ji & Chen (1996); Maartmann-Moe (1969); Olsher et al. (1996); Yang et al. (2001); Zhang et al. (2003).

Experimental

Crystal data

[Mn(H₂O)₆](C₆H₂N₃O₇)₂·2H₂O
M_r = 655.28
Orthorhombic, P c c n
a = 25.344 (6) Å
b = 7.1625 (17) Å
c = 13.217 (3) Å
V = 2399.2 (9) Å³
Z = 4
Mo K radiation
= 0.67 mm^-1
T = 294 (2) K
0.28 × 0.24 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.835, T_max = 0.878
11295 measured reflections
2122 independent reflections
1643 reflections with I > 2(I)
R_int = 0.033

Refinement

R[F² > 2(F²)] = 0.047
wR(F²) = 0.158
S = 1.11
2122 reflections
211 parameters
8 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.50 e Å^-3
_min = -1.20 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Mn1-O1	2.120 (3)
Mn1-O3	2.136 (3)
Mn1-O2	2.190 (2)

O1-Mn1-O3	91.52 (11)
O1-Mn1-O3ⁱ	88.48 (11)
O1-Mn1-O2ⁱ	93.02 (11)
O3ⁱ-Mn1-O2ⁱ	86.83 (11)
O1-Mn1-O2	86.98 (11)
O3ⁱ-Mn1-O2	93.17 (11)
Symmetry code: (i) -x+1, -y, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1AO11ⁱⁱ	0.846 (10)	1.938 (12)	2.780 (4)	173 (4)
O1-H1BO10ⁱⁱⁱ	0.852 (10)	2.10 (2)	2.906 (4)	157 (4)
O2-H2AO10^iv	0.848 (10)	2.048 (12)	2.889 (4)	172 (4)
O2-H2AO9^iv	0.848 (10)	2.53 (4)	2.986 (4)	115 (3)
O3-H3AO11^v	0.832 (10)	1.951 (12)	2.782 (4)	176 (5)
O3-H3BO6^vi	0.841 (10)	2.047 (12)	2.884 (4)	174 (5)
O11-H11AO2^vii	0.847 (10)	2.213 (19)	3.006 (4)	156 (4)
O11-H11BO10^viii	0.846 (10)	2.17 (2)	2.938 (4)	151 (4)
O11-H11BO4^viii	0.846 (10)	2.27 (3)	2.913 (4)	133 (4)
O2-H2BO4^ix	0.841 (10)	2.143 (19)	2.930 (4)	156 (4)
Symmetry codes: (ii) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (iii) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (iv) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (v) x, y-1, z; (vi) $[-x+{\script{1\over 2}}, y-1, z+{\script{1\over 2}}]$ ; (vii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (viii) -x+1, -y+2, -z+1; (ix) -x+1, -y+1, -z+1.

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

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WW2104 ).

Acknowledgements

We acknowledge financial support of this study by Zhengzhou University.

References

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metal-organic compounds