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As part of an exploration of new coordination polymers, a cadmium-di­cyanamide complex, namely poly[benzyl­tri­ethyl­ammonium [tri-μ-dicyanam­ido-κ6N1:N5-cadmium(II)]], {(C13H22N)[Cd(C2N3)3]}n, has been synthesized by the reaction of benzyl­tri­ethyl­ammonium bromide, cadmium nitrate tetra­hydrate and sodium dicyanamide in aqueous solution, and characterized by single-crystal X-ray diffraction at room temperature. In the crystal structure, each CdII cation is coordinated by six nitrile N atoms from six anionic dicyanamide (dca) ligands to furnish a slightly distorted octa­hedral geometry. Neighbouring CdII cations are linked by dicyanamide bridges to construct a two-dimensional anionic layer coordination polymer. One amide N atom in the bridging dca ligand is disordered over two sites. The cations lie between the anionic frameworks and there are no hydrogen-bond inter­actions between the cations and anions. The organic cations are not involved in the formation of the supra­molecular network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229617013614/cu3115sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229617013614/cu3115Isup2.hkl
Contains datablock I

CCDC reference: 1563912

Computing details top

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: PRPKAPPA (Ferguson, 1999).

Poly[benzyltriethylammonium [tri-µ-dicyanamido-κ6N1:N5-cadmium(II)]] top
Crystal data top
(C13H22N)[Cd(C2N3)3]Z = 2
Mr = 502.88F(000) = 508
Triclinic, P1Dx = 1.520 Mg m3
a = 7.3585 (15) ÅMo Kα radiation, λ = 0.71073 Å
b = 8.7960 (18) ÅCell parameters from 11505 reflections
c = 17.619 (3) Åθ = 3.0–27.5°
α = 79.56 (3)°µ = 1.02 mm1
β = 84.69 (3)°T = 293 K
γ = 78.96 (3)°Bulk, colorless
V = 1098.8 (4) Å30.18 × 0.16 × 0.12 mm
Data collection top
Rigaku SCXmini
diffractometer
3230 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.045
ω scansθmax = 27.5°, θmin = 3.0°
Absorption correction: multi-scan
(CrystalClear; Rigaku, 2005)
h = 99
Tmin = 0.832, Tmax = 0.885k = 1111
11505 measured reflectionsl = 2222
5034 independent reflections
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.044 w = 1/[σ2(Fo2) + (0.0362P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.095(Δ/σ)max < 0.001
S = 1.02Δρmax = 0.35 e Å3
5034 reflectionsΔρmin = 0.52 e Å3
287 parametersExtinction correction: SHELXL2014 (Sheldrick, 2015b)
0 restraintsExtinction coefficient: 0.015
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
N2A1.008 (7)0.209 (9)0.565 (5)0.069 (18)0.31 (9)
N2B1.052 (3)0.194 (2)0.527 (2)0.060 (6)0.69 (9)
C10.8673 (6)0.2400 (4)0.5257 (2)0.0422 (10)
C21.1490 (6)0.2952 (5)0.5387 (3)0.0527 (11)
C30.3755 (6)0.5243 (4)0.3161 (2)0.0441 (10)
C40.3657 (5)0.5219 (4)0.1887 (2)0.0409 (9)
C50.8709 (7)0.2451 (5)0.0072 (3)0.0484 (11)
C61.1609 (6)0.2968 (5)0.0227 (3)0.0525 (11)
C70.5071 (6)0.0699 (5)0.1697 (2)0.0503 (11)
H7A0.42040.16810.15900.060*
H7B0.63120.09400.16000.060*
C80.4809 (7)0.0331 (5)0.1136 (2)0.0713 (15)
H8A0.57100.12830.12110.107*
H8B0.49650.02130.06170.107*
H8C0.35840.05810.12220.107*
C90.6043 (5)0.1565 (4)0.2742 (2)0.0483 (10)
H9A0.58380.19550.32890.058*
H9B0.56640.22880.24580.058*
C100.8095 (6)0.1581 (5)0.2566 (3)0.0706 (15)
H10A0.83320.12720.20200.106*
H10B0.87690.26210.27280.106*
H10C0.84890.08610.28390.106*
C110.5286 (6)0.1181 (4)0.3000 (2)0.0481 (10)
H11A0.43940.21500.28980.058*
H11B0.64960.14170.28060.058*
C120.5320 (7)0.0663 (5)0.3865 (3)0.0702 (14)
H12A0.42490.01990.40510.105*
H12B0.53090.15550.41090.105*
H12C0.64230.00960.39840.105*
C130.2811 (5)0.0201 (4)0.2750 (2)0.0408 (9)
H13A0.25390.09300.24420.049*
H13B0.27120.06900.32880.049*
C140.1359 (5)0.1248 (4)0.2633 (2)0.0413 (9)
C150.0674 (6)0.2007 (5)0.3255 (2)0.0572 (12)
H150.11200.16110.37420.069*
C160.1330 (6)0.3964 (5)0.2443 (3)0.0649 (13)
H160.22120.48810.23770.078*
C170.0669 (7)0.3349 (6)0.3151 (3)0.0687 (14)
H170.11280.38400.35720.082*
C180.0681 (6)0.3213 (5)0.1827 (3)0.0618 (13)
H180.11290.36170.13410.074*
C190.0639 (6)0.1858 (5)0.1930 (2)0.0532 (11)
H190.10500.13470.15120.064*
Cd10.50000.50000.50000.03740 (13)
Cd20.50000.50000.00000.03956 (13)
N10.7130 (5)0.2634 (4)0.5163 (2)0.0535 (9)
N31.2574 (5)0.3682 (4)0.5432 (2)0.0578 (10)
N40.4349 (5)0.4909 (4)0.37519 (19)0.0595 (10)
N50.2965 (5)0.5754 (4)0.25095 (19)0.0566 (10)
N60.4137 (5)0.4821 (4)0.13087 (19)0.0598 (10)
N70.7258 (5)0.6384 (4)0.0165 (2)0.0638 (11)
N80.7192 (5)0.2654 (4)0.0148 (2)0.0547 (10)
N91.0417 (6)0.2129 (5)0.0336 (3)0.0899 (16)
N100.4810 (4)0.0024 (3)0.25477 (17)0.0392 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
N2A0.032 (13)0.07 (2)0.09 (3)0.024 (13)0.020 (15)0.048 (19)
N2B0.036 (5)0.048 (5)0.098 (13)0.005 (4)0.013 (7)0.016 (6)
C10.045 (3)0.036 (2)0.044 (2)0.006 (2)0.009 (2)0.0011 (19)
C20.039 (3)0.050 (3)0.064 (3)0.005 (2)0.012 (2)0.006 (2)
C30.057 (3)0.039 (2)0.041 (2)0.014 (2)0.002 (2)0.0137 (19)
C40.048 (2)0.037 (2)0.037 (2)0.0118 (18)0.0069 (19)0.0040 (18)
C50.048 (3)0.048 (3)0.054 (3)0.013 (2)0.004 (2)0.017 (2)
C60.043 (3)0.060 (3)0.058 (3)0.009 (2)0.009 (2)0.024 (2)
C70.057 (3)0.051 (3)0.038 (2)0.008 (2)0.005 (2)0.000 (2)
C80.096 (4)0.072 (3)0.042 (3)0.004 (3)0.014 (3)0.020 (2)
C90.052 (3)0.030 (2)0.061 (3)0.0052 (19)0.006 (2)0.006 (2)
C100.053 (3)0.053 (3)0.103 (4)0.005 (2)0.004 (3)0.010 (3)
C110.054 (3)0.035 (2)0.060 (3)0.0106 (19)0.014 (2)0.011 (2)
C120.100 (4)0.054 (3)0.063 (3)0.008 (3)0.036 (3)0.017 (2)
C130.046 (2)0.039 (2)0.039 (2)0.0151 (19)0.0016 (18)0.0040 (18)
C140.044 (2)0.041 (2)0.039 (2)0.0147 (19)0.0001 (19)0.0043 (19)
C150.057 (3)0.073 (3)0.038 (2)0.004 (2)0.001 (2)0.010 (2)
C160.046 (3)0.055 (3)0.091 (4)0.003 (2)0.002 (3)0.014 (3)
C170.068 (3)0.068 (3)0.071 (3)0.001 (3)0.008 (3)0.034 (3)
C180.069 (3)0.053 (3)0.058 (3)0.000 (2)0.020 (3)0.001 (2)
C190.057 (3)0.053 (3)0.048 (3)0.002 (2)0.005 (2)0.013 (2)
Cd10.0338 (2)0.0476 (3)0.0326 (2)0.01028 (19)0.00500 (18)0.00673 (19)
Cd20.0349 (3)0.0529 (3)0.0308 (2)0.0088 (2)0.00123 (18)0.0063 (2)
N10.041 (2)0.051 (2)0.070 (3)0.0054 (18)0.008 (2)0.0132 (19)
N30.044 (2)0.067 (2)0.062 (2)0.0242 (19)0.0067 (18)0.006 (2)
N40.082 (3)0.063 (2)0.036 (2)0.009 (2)0.0104 (19)0.0152 (18)
N50.065 (3)0.064 (2)0.038 (2)0.010 (2)0.0126 (18)0.0169 (18)
N60.077 (3)0.067 (3)0.0310 (19)0.006 (2)0.0025 (19)0.0070 (18)
N70.048 (2)0.074 (3)0.078 (3)0.019 (2)0.002 (2)0.027 (2)
N80.044 (2)0.057 (2)0.062 (2)0.0072 (19)0.0043 (19)0.0070 (19)
N90.047 (2)0.094 (3)0.149 (5)0.024 (2)0.022 (3)0.077 (3)
N100.047 (2)0.0297 (15)0.0398 (18)0.0085 (14)0.0019 (15)0.0029 (13)
Geometric parameters (Å, º) top
Cd1—N3i2.309 (3)C8—H8A0.9600
Cd1—N3ii2.309 (3)C8—H8B0.9600
Cd1—N4iii2.312 (3)C8—H8C0.9600
Cd1—N42.312 (3)C9—C101.512 (5)
Cd1—N1iii2.343 (3)C9—N101.514 (4)
Cd1—N12.343 (3)C9—H9A0.9700
Cd2—N72.307 (4)C9—H9B0.9700
Cd2—N7iv2.307 (4)C10—H10A0.9600
Cd2—N62.320 (3)C10—H10B0.9600
Cd2—N6iv2.320 (3)C10—H10C0.9600
Cd2—N82.353 (4)C11—N101.509 (4)
Cd2—N8iv2.353 (4)C11—C121.510 (5)
N3—Cd1v2.309 (3)C11—H11A0.9700
N7—C6vi1.119 (5)C11—H11B0.9700
N2A—C11.26 (3)C12—H12A0.9600
N2A—C21.40 (2)C12—H12B0.9600
N2B—C21.293 (17)C12—H12C0.9600
N2B—C11.339 (17)C13—C141.495 (5)
C1—N11.136 (5)C13—N101.522 (4)
C2—N31.132 (5)C13—H13A0.9700
C3—N41.135 (5)C13—H13B0.9700
C3—N51.301 (5)C14—C191.369 (5)
C4—N61.140 (5)C14—C151.391 (5)
C4—N51.294 (5)C15—C171.383 (6)
C5—N81.139 (5)C15—H150.9300
C5—N91.296 (5)C16—C171.361 (6)
C6—N7vi1.119 (5)C16—C181.373 (6)
C6—N91.296 (5)C16—H160.9300
C7—C81.503 (5)C17—H170.9300
C7—N101.518 (4)C18—C191.382 (5)
C7—H7A0.9700C18—H180.9300
C7—H7B0.9700C19—H190.9300
C1—N2A—C2117 (2)C14—C15—H15119.9
C2—N2B—C1118.1 (8)C17—C16—C18119.2 (4)
N1—C1—N2A156 (4)C17—C16—H16120.4
N1—C1—N2B169.6 (9)C18—C16—H16120.4
N3—C2—N2B168.9 (12)C16—C17—C15121.2 (4)
N3—C2—N2A157 (4)C16—C17—H17119.4
N4—C3—N5174.0 (5)C15—C17—H17119.4
N6—C4—N5174.2 (5)C16—C18—C19119.8 (4)
N8—C5—N9176.0 (5)C16—C18—H18120.1
N7vi—C6—N9174.4 (5)C19—C18—H18120.1
C8—C7—N10116.0 (3)C14—C19—C18121.7 (4)
C8—C7—H7A108.3C14—C19—H19119.1
N10—C7—H7A108.3C18—C19—H19119.1
C8—C7—H7B108.3N3i—Cd1—N3ii180.00 (15)
N10—C7—H7B108.3N3i—Cd1—N4iii87.97 (13)
H7A—C7—H7B107.4N3ii—Cd1—N4iii92.03 (13)
C7—C8—H8A109.5N3i—Cd1—N492.02 (13)
C7—C8—H8B109.5N3ii—Cd1—N487.98 (13)
H8A—C8—H8B109.5N4iii—Cd1—N4180.0
C7—C8—H8C109.5N3i—Cd1—N1iii90.93 (13)
H8A—C8—H8C109.5N3ii—Cd1—N1iii89.07 (13)
H8B—C8—H8C109.5N4iii—Cd1—N1iii95.90 (13)
C10—C9—N10115.3 (3)N4—Cd1—N1iii84.10 (13)
C10—C9—H9A108.5N3i—Cd1—N189.07 (13)
N10—C9—H9A108.5N3ii—Cd1—N190.93 (13)
C10—C9—H9B108.5N4iii—Cd1—N184.10 (13)
N10—C9—H9B108.5N4—Cd1—N195.90 (13)
H9A—C9—H9B107.5N1iii—Cd1—N1180.00 (14)
C9—C10—H10A109.5N7—Cd2—N7iv180.0
C9—C10—H10B109.5N7—Cd2—N689.33 (14)
H10A—C10—H10B109.5N7iv—Cd2—N690.67 (14)
C9—C10—H10C109.5N7—Cd2—N6iv90.67 (14)
H10A—C10—H10C109.5N7iv—Cd2—N6iv89.33 (14)
H10B—C10—H10C109.5N6—Cd2—N6iv180.0
N10—C11—C12116.0 (3)N7—Cd2—N890.05 (13)
N10—C11—H11A108.3N7iv—Cd2—N889.95 (13)
C12—C11—H11A108.3N6—Cd2—N894.57 (13)
N10—C11—H11B108.3N6iv—Cd2—N885.43 (13)
C12—C11—H11B108.3N7—Cd2—N8iv89.95 (13)
H11A—C11—H11B107.4N7iv—Cd2—N8iv90.05 (13)
C11—C12—H12A109.5N6—Cd2—N8iv85.43 (13)
C11—C12—H12B109.5N6iv—Cd2—N8iv94.57 (13)
H12A—C12—H12B109.5N8—Cd2—N8iv180.0
C11—C12—H12C109.5C1—N1—Cd1130.3 (3)
H12A—C12—H12C109.5C2—N3—Cd1v156.1 (4)
H12B—C12—H12C109.5C3—N4—Cd1161.6 (3)
C14—C13—N10116.4 (3)C4—N5—C3120.8 (4)
C14—C13—H13A108.2C4—N6—Cd2158.9 (3)
N10—C13—H13A108.2C6vi—N7—Cd2177.7 (4)
C14—C13—H13B108.2C5—N8—Cd2128.7 (3)
N10—C13—H13B108.2C5—N9—C6120.3 (4)
H13A—C13—H13B107.3C11—N10—C9110.7 (3)
C19—C14—C15117.9 (4)C11—N10—C7107.0 (3)
C19—C14—C13122.3 (4)C9—N10—C7110.9 (3)
C15—C14—C13119.8 (4)C11—N10—C13110.2 (3)
C17—C15—C14120.1 (4)C9—N10—C13107.6 (3)
C17—C15—H15119.9C7—N10—C13110.4 (3)
C2—N2A—C1—N1137.1 (17)N2B—C1—N1—Cd1137 (10)
C2—N2B—C1—N1148 (7)N2B—C2—N3—Cd1v48 (9)
C1—N2B—C2—N3159 (6)N2A—C2—N3—Cd1v173 (7)
C1—N2A—C2—N3133 (3)C12—C11—N10—C952.6 (5)
N10—C13—C14—C1984.0 (5)C12—C11—N10—C7173.7 (4)
N10—C13—C14—C1597.0 (4)C12—C11—N10—C1366.2 (4)
C19—C14—C15—C171.1 (6)C10—C9—N10—C1160.6 (5)
C13—C14—C15—C17179.9 (4)C10—C9—N10—C758.1 (5)
C18—C16—C17—C151.5 (7)C10—C9—N10—C13179.0 (3)
C14—C15—C17—C160.8 (7)C8—C7—N10—C11175.5 (3)
C17—C16—C18—C190.5 (7)C8—C7—N10—C954.6 (5)
C15—C14—C19—C182.1 (6)C8—C7—N10—C1364.6 (4)
C13—C14—C19—C18178.9 (4)C14—C13—N10—C1156.7 (4)
C16—C18—C19—C141.4 (7)C14—C13—N10—C9177.5 (3)
N2A—C1—N1—Cd191 (9)C14—C13—N10—C761.3 (4)
Symmetry codes: (i) x+2, y+1, z+1; (ii) x1, y, z; (iii) x+1, y+1, z+1; (iv) x+1, y+1, z; (v) x+1, y, z; (vi) x+2, y+1, z.
 

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