Crystal structure of poly[(2,2'-bi-pyridine-κ(2) N,N')tetra-μ2-cyanido-κ(4) C:N;κ(4) N:C-manganese(II)disilver(I)].

The title compound, [Ag2Mn(CN)4(C10H8N2)] n or Mn(bipy){Ag(CN)2}2 (bipy = 2,2'-bi-pyridine) is isostructural with Cd(bipy){Au(CN)2}2 [Guo et al. (2009 ▸). CrystEngComm, 11, 61-66]. The Mn(II) atom has crystallographically imposed twofold symmetry and a distorted octa-hedral coordination sphere consisting of six N atoms from one bi-pyridine ligand and four di-cyano-argentate(I) anions, [Ag(CN)2](-), while the Ag(I) atom of the complex anion displays the expected linear geometry. Each [Ag(CN)2](-) unit connects to two neighbouring [Mn(bipy)](2+) cations to give an threefold inter-penetrating quartz-like three-dimensional framework. No directional inter-actions beyond van der Waals contacts are observed.

Related literature

For related crystal structures, see: Soma et al. (1994 ▸); Guo et al. (2009 ▸). For the use of [Ag(CN)2]− as a building block for the construction of cyanide-bridged silver(I)–iron(II) spin-crossover coordination polymers, see: Shorrock et al. (2002 ▸); Galet et al. (2003 ▸); Niel et al. (2003 ▸); Muñoz et al. (2007 ▸).

Experimental

Crystal data

[Ag2Mn(CN)4(C10H8N2)]

M = 530.94

Trigonal,

a = 8.7215 (3) Å

c = 20.9874 (9) Å

V = 1382.52 (13) Å3

Z = 3

Mo Kα radiation

μ = 2.78 mm−1

T = 296 K

0.36 × 0.22 × 0.22 mm

Data collection

Bruker D8 QUEST CMOS diffractometer

Absorption correction: multi-scan (SADABS; Bruker,2014 ▸) T min = 0.484, T max = 0.542

25845 measured reflections

1874 independent reflections

1856 reflections with I > 2σ(I)

R int = 0.024

Refinement

R[F 2 > 2σ(F 2)] = 0.015

wR(F 2) = 0.038

S = 1.07

1874 reflections

105 parameters

H-atom parameters constrained

Δρmax = 0.15 e Å−3

Δρmin = −0.28 e Å−3

Absolute structure: Flack x determined using 824 quotients [(I +)−(I −)]/[(I +)+(I −)] (Parsons et al., 2013 ▸)

Absolute structure parameter: 0.037 (6)

Data collection: APEX2 (Bruker, 2014 ▸); cell refinement: SAINT (Bruker, 2014 ▸); data reduction: SAIn class="Chemical">NT; program(s) used to solve structure: SHELXT (Sheldrick, 2015a ▸); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b ▸); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▸); software used to prepare material for publication: publCIF (Westrip, 2010 ▸) and enCIFer (Allen et al., 2004 ▸).

Crystal structure: contains datablock(s) I. DOI: 10.1107/S205698901501676X/vn2098sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S205698901501676X/vn2098Isup2.hkl

Click here for additional data file.

Supporting information file. DOI: 10.1107/S205698901501676X/vn2098Isup3.cdx

Click here for additional data file.

x x y z y x y z y z . DOI: 10.1107/S205698901501676X/vn2098fig1.tif

Displacement ellipsoid plot at the 35% probability level of the immediate coordination geometry about the manganese(II) centre in the title compound. The asymmetric unit is labelled. [Symmetry codes: (i) x, −1 + x – y, 2 – z; (ii) 1 – y, x – y,  + z; (iii) 1 – y, –x, 5/3 – z].

Click here for additional data file.

c . DOI: 10.1107/S205698901501676X/vn2098fig2.tif

Crystal packing of the title compound viewed along c axis.

CCDC reference: 1422937

Additional supporting information: crystallographic information; 3D view; checkCIF report

[Ag2Mn(CN)4(C10H8N2)]	Dx = 1.913 Mg m−3
Mr = 530.94	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3112	Cell parameters from 720 reflections
a = 8.7215 (3) Å	θ = 3.3–26.3°
c = 20.9874 (9) Å	µ = 2.78 mm−1
V = 1382.52 (13) Å3	T = 296 K
Z = 3	Block, light yellow
F(000) = 759	0.36 × 0.22 × 0.22 mm

Bruker D8 QUEST CMOS diffractometer	1874 independent reflections
Radiation source: microfocus sealed x-ray tube, Incoatec Iµus	1856 reflections with I > 2σ(I)
GraphiteDouble Bounce Multilayer Mirror monochromator	Rint = 0.024
Detector resolution: 10.5 pixels mm-1	θmax = 26.3°, θmin = 3.3°
ω and φ scans	h = −10→10
Absorption correction: multi-scan (SADABS; Bruker,2014)	k = −10→10
Tmin = 0.484, Tmax = 0.542	l = −26→26
25845 measured reflections

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.015	w = 1/[σ2(Fo2) + (0.0231P)2 + 0.1949P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.038	(Δ/σ)max = 0.001
S = 1.07	Δρmax = 0.15 e Å−3
1874 reflections	Δρmin = −0.28 e Å−3
105 parameters	Absolute structure: Flack x determined using 824 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
0 restraints	Absolute structure parameter: 0.037 (6)
Primary atom site location: structure-invariant direct methods

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.

	x	y	z	Uiso*/Ueq
Ag1	0.46725 (4)	0.05832 (4)	0.84789 (2)	0.07435 (11)
Mn1	0.89941 (6)	−0.05030 (3)	1.0000	0.03424 (11)
N2	0.2249 (4)	0.0953 (4)	0.74313 (13)	0.0600 (6)
N3	1.1424 (3)	0.1907 (3)	0.96099 (11)	0.0511 (5)
N1	0.7178 (3)	−0.0053 (4)	0.94131 (11)	0.0547 (6)
C7	1.3017 (3)	0.2186 (3)	0.97859 (12)	0.0438 (5)
C4	1.2821 (5)	0.4635 (6)	0.9044 (3)	0.0981 (17)
H4	1.2710	0.5468	0.8803	0.118*
C2	0.3101 (5)	0.0826 (5)	0.78142 (16)	0.0638 (8)
C1	0.6284 (4)	0.0198 (5)	0.90861 (14)	0.0612 (7)
C6	1.4560 (4)	0.3673 (4)	0.95830 (15)	0.0599 (7)
H6	1.5658	0.3828	0.9698	0.072*
C3	1.1344 (5)	0.3099 (6)	0.9239 (2)	0.0848 (13)
H3	1.0238	0.2887	0.9106	0.102*
C5	1.4453 (4)	0.4911 (5)	0.92118 (18)	0.0807 (11)
H5	1.5474	0.5920	0.9077	0.097*

	U11	U22	U33	U12	U13	U23
Ag1	0.0916 (2)	0.1011 (2)	0.05771 (15)	0.06867 (18)	−0.02819 (13)	−0.00888 (13)
Mn1	0.0307 (2)	0.03718 (18)	0.0327 (2)	0.01535 (11)	0.000	−0.00120 (16)
N2	0.0675 (15)	0.0575 (14)	0.0588 (14)	0.0342 (13)	−0.0179 (12)	0.0000 (12)
N3	0.0375 (11)	0.0535 (13)	0.0546 (12)	0.0170 (9)	0.0022 (9)	0.0141 (10)
N1	0.0530 (13)	0.0719 (16)	0.0470 (12)	0.0371 (12)	−0.0084 (10)	−0.0012 (12)
C7	0.0365 (11)	0.0497 (13)	0.0359 (11)	0.0146 (10)	0.0005 (9)	−0.0054 (9)
C4	0.063 (2)	0.080 (3)	0.124 (4)	0.0157 (19)	0.000 (2)	0.056 (3)
C2	0.0752 (19)	0.0685 (19)	0.0578 (17)	0.0435 (17)	−0.0227 (14)	−0.0033 (14)
C1	0.0654 (18)	0.081 (2)	0.0514 (15)	0.0473 (18)	−0.0097 (13)	−0.0030 (14)
C6	0.0363 (13)	0.0621 (17)	0.0594 (16)	0.0082 (12)	−0.0054 (11)	0.0016 (13)
C3	0.0467 (17)	0.082 (2)	0.109 (3)	0.0199 (17)	−0.0021 (18)	0.050 (2)
C5	0.0511 (17)	0.064 (2)	0.088 (2)	−0.0001 (14)	0.0002 (16)	0.0260 (18)

Ag1—C2	2.039 (3)	N3—C3	1.328 (4)
Ag1—C1	2.046 (3)	N1—C1	1.139 (4)
Mn1—N2i	2.229 (3)	C7—C7iii	1.485 (5)
Mn1—N2ii	2.229 (3)	C7—C6	1.388 (4)
Mn1—N3iii	2.264 (2)	C4—H4	0.9300
Mn1—N3	2.264 (2)	C4—C3	1.377 (5)
Mn1—N1iii	2.192 (2)	C4—C5	1.365 (6)
Mn1—N1	2.192 (2)	C6—H6	0.9300
N2—Mn1iv	2.229 (3)	C6—C5	1.372 (5)
N2—C2	1.137 (4)	C3—H3	0.9300
N3—C7	1.337 (3)	C5—H5	0.9300
C2—Ag1—C1	174.70 (14)	C3—N3—C7	118.4 (2)
N2i—Mn1—N2ii	177.94 (15)	C1—N1—Mn1	177.0 (3)
N2ii—Mn1—N3	85.78 (10)	N3—C7—C7iii	115.84 (15)
N2ii—Mn1—N3iii	92.55 (10)	N3—C7—C6	121.3 (3)
N2i—Mn1—N3iii	85.78 (10)	C6—C7—C7iii	122.90 (17)
N2i—Mn1—N3	92.55 (10)	C3—C4—H4	120.6
N3iii—Mn1—N3	71.65 (12)	C5—C4—H4	120.6
N1iii—Mn1—N2i	92.34 (11)	C5—C4—C3	118.7 (4)
N1—Mn1—N2i	88.95 (10)	N2—C2—Ag1	178.2 (3)
N1—Mn1—N2ii	92.34 (10)	N1—C1—Ag1	178.1 (3)
N1iii—Mn1—N2ii	88.94 (10)	C7—C6—H6	120.2
N1—Mn1—N3	93.18 (10)	C5—C6—C7	119.6 (3)
N1iii—Mn1—N3	163.66 (9)	C5—C6—H6	120.2
N1iii—Mn1—N3iii	93.18 (10)	N3—C3—C4	123.1 (3)
N1—Mn1—N3iii	163.66 (9)	N3—C3—H3	118.5
N1iii—Mn1—N1	102.49 (15)	C4—C3—H3	118.5
C2—N2—Mn1iv	176.1 (3)	C4—C5—C6	118.9 (3)
C7—N3—Mn1	118.32 (18)	C4—C5—H5	120.6
C3—N3—Mn1	123.2 (2)	C6—C5—H5	120.6
Mn1—N3—C7—C7iii	1.5 (4)	C7—C6—C5—C4	−0.8 (7)
Mn1—N3—C7—C6	−177.6 (2)	C3—N3—C7—C7iii	178.4 (4)
Mn1—N3—C3—C4	174.7 (5)	C3—N3—C7—C6	−0.7 (5)
N3—C7—C6—C5	2.2 (5)	C3—C4—C5—C6	−1.8 (9)
C7—N3—C3—C4	−2.0 (7)	C5—C4—C3—N3	3.3 (10)
C7iii—C7—C6—C5	−176.9 (4)