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In the title compound, [CdNi(C9H8N2)2(CN)4]n, the Cd and Ni atoms both lie on centres of inversion in space group P21/c. The Cd atom is coordinated by two bidentate quinolin-8-amine ligands and by the N atoms of two cyano ligands, while the square planar Ni atom is coordinated by the C atoms of four cyano ligands. These units form a one-dimensional coordination polymer containing an (–NC—Ni—CN—Cd–)n backbone, and the coordination polymer chains are linked into a three-dimensional array by a combination of N—H...N and C—H...N hydrogen bonds, augmented by a π–π stacking inter­action.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S241431462100568X/bt4114sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S241431462100568X/bt4114Isup2.hkl
Contains datablock I

CCDC reference: 2087407

Key indicators

  • Single-crystal X-ray study
  • T = 170 K
  • Mean [sigma](C-C) = 0.002 Å
  • R factor = 0.022
  • wR factor = 0.063
  • Data-to-parameter ratio = 26.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.034 Report PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.600 49 Report PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 28 Note
Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension 1 Info PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 --N1 . 5.8 s.u. PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 --C11 . 12.8 s.u. PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 --C12 . 12.0 s.u. PLAT794_ALERT_5_G Tentative Bond Valency for Cd1 (II) . 2.19 Info PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min). 2 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 10 Note PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density. 10 Info
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: CrysAlis PRO (Rigaku OD, 2015); cell refinement: CrysAlis PRO (Rigaku OD, 2015); data reduction: CrysAlis PRO (Rigaku OD, 2015); program(s) used to solve structure: SHELXS86 (Sheldrick, 2015); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: PLATON (Spek, 2020); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2020).

catena-Poly[[bis(quinolin-8-amine-κ2N,N')cadmium(II)]-µ-cyanido-κ2N:C-[dicyanidonickel(II)]-µ-cyanido-κ2C:N] top
Crystal data top
[CdNi(C9H8N2)2(CN)4]F(000) = 560
Mr = 563.53Dx = 1.736 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 9.4264 (3) ÅCell parameters from 4057 reflections
b = 11.8622 (3) Åθ = 2.8–33.2°
c = 9.8257 (3) ŵ = 1.89 mm1
β = 101.088 (2)°T = 170 K
V = 1078.18 (6) Å3Block, pale yellow
Z = 20.15 × 0.11 × 0.07 mm
Data collection top
Rigaku Oxford Diffraction Xcalibur, Eos, Gemini
diffractometer
4057 independent reflections
Radiation source: fine-focus sealed X-raytube3319 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
ω scansθmax = 33.2°, θmin = 2.8°
Absorption correction: multi-scan
(CrysAlis PRO; Rigaku OD, 2015)
h = 1412
Tmin = 0.668, Tmax = 0.885k = 1818
22794 measured reflectionsl = 1215
Refinement top
Refinement on F2Primary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.022H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.063 w = 1/[σ2(Fo2) + (0.0239P)2 + 0.6589P]
where P = (Fo2 + 2Fc2)/3
S = 1.07(Δ/σ)max < 0.001
4057 reflectionsΔρmax = 0.55 e Å3
154 parametersΔρmin = 0.50 e Å3
0 restraints
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*/Ueq
Cd10.50000.50000.50000.01846 (4)
N10.69972 (12)0.60058 (9)0.46816 (12)0.0200 (2)
C20.69877 (16)0.69047 (12)0.38871 (16)0.0259 (3)
H20.61180.70940.32660.031*
C30.82124 (18)0.75965 (12)0.39193 (18)0.0286 (3)
H30.81730.82240.33120.034*
C40.94535 (17)0.73487 (12)0.48371 (16)0.0246 (3)
H41.02860.78090.48780.029*
C4A0.94994 (14)0.64063 (11)0.57272 (13)0.0200 (2)
C51.07330 (15)0.61251 (13)0.67437 (15)0.0252 (3)
H51.15830.65720.68420.030*
C61.06942 (16)0.52108 (14)0.75798 (16)0.0275 (3)
H61.15050.50450.82880.033*
C70.94610 (15)0.45098 (13)0.74017 (14)0.0239 (3)
H70.94650.38680.79810.029*
C80.82593 (14)0.47349 (11)0.64121 (13)0.0181 (2)
C8A0.82395 (13)0.57249 (10)0.55881 (12)0.0172 (2)
N80.70170 (12)0.40018 (9)0.61705 (12)0.0198 (2)
H8A0.694 (2)0.3681 (15)0.6961 (19)0.024*
H8B0.713 (2)0.3478 (16)0.5586 (19)0.024*
Ni10.50000.50000.00000.01665 (5)
C110.50450 (15)0.44216 (11)0.17628 (14)0.0217 (2)
N110.50472 (15)0.41011 (11)0.28716 (13)0.0272 (2)
C120.62164 (15)0.38568 (12)0.03912 (14)0.0219 (2)
N120.69773 (15)0.31621 (11)0.06549 (14)0.0292 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.01554 (6)0.02316 (7)0.01642 (7)0.00368 (4)0.00242 (4)0.00056 (4)
N10.0186 (5)0.0198 (5)0.0214 (5)0.0013 (4)0.0032 (4)0.0026 (4)
C20.0242 (6)0.0248 (6)0.0282 (7)0.0007 (5)0.0040 (5)0.0077 (5)
C30.0302 (7)0.0236 (6)0.0329 (8)0.0038 (5)0.0088 (6)0.0078 (5)
C40.0241 (7)0.0227 (6)0.0287 (7)0.0071 (5)0.0098 (5)0.0012 (5)
C4A0.0184 (5)0.0209 (5)0.0214 (5)0.0029 (4)0.0059 (4)0.0036 (5)
C50.0182 (6)0.0307 (7)0.0264 (6)0.0041 (5)0.0032 (5)0.0058 (5)
C60.0196 (6)0.0353 (7)0.0250 (7)0.0001 (5)0.0023 (5)0.0013 (6)
C70.0240 (6)0.0249 (6)0.0217 (6)0.0015 (5)0.0015 (5)0.0025 (5)
C80.0186 (5)0.0188 (5)0.0172 (5)0.0005 (4)0.0044 (4)0.0011 (4)
C8A0.0175 (5)0.0175 (5)0.0172 (5)0.0010 (4)0.0045 (4)0.0012 (4)
N80.0223 (5)0.0171 (5)0.0202 (5)0.0020 (4)0.0045 (4)0.0005 (4)
Ni10.01888 (11)0.01653 (10)0.01467 (10)0.00374 (8)0.00356 (8)0.00017 (7)
C110.0235 (6)0.0203 (5)0.0213 (6)0.0032 (5)0.0041 (5)0.0022 (5)
N110.0343 (7)0.0269 (6)0.0205 (5)0.0014 (5)0.0056 (4)0.0007 (5)
C120.0244 (6)0.0217 (6)0.0196 (5)0.0029 (5)0.0040 (4)0.0016 (5)
N120.0300 (6)0.0264 (6)0.0326 (6)0.0073 (5)0.0094 (5)0.0018 (5)
Geometric parameters (Å, º) top
Cd1—N12.3005 (11)C5—C61.365 (2)
Cd1—N1i2.3005 (11)C5—H50.9500
Cd1—N82.3449 (12)C6—C71.412 (2)
Cd1—N8i2.3449 (12)C6—H60.9500
Cd1—N11i2.3554 (13)C7—C81.3698 (19)
Cd1—N112.3555 (13)C7—H70.9500
N1—C21.3205 (17)C8—C8A1.4245 (18)
N1—C8A1.3691 (17)C8—N81.4412 (17)
C2—C31.412 (2)N8—H8A0.880 (19)
C2—H20.9500N8—H8B0.868 (19)
C3—C41.365 (2)Ni1—C111.8559 (14)
C3—H30.9500Ni1—C11ii1.8560 (14)
C4—C4A1.4149 (19)Ni1—C121.8631 (13)
C4—H40.9500Ni1—C12ii1.8631 (13)
C4A—C51.4192 (19)C11—N111.1536 (18)
C4A—C8A1.4212 (17)C12—N121.1542 (18)
N1—Cd1—N1i180.0C6—C5—C4A119.80 (13)
N1—Cd1—N873.80 (4)C6—C5—H5120.1
N1i—Cd1—N8106.20 (4)C4A—C5—H5120.1
N1—Cd1—N8i106.20 (4)C5—C6—C7120.64 (14)
N1i—Cd1—N8i73.80 (4)C5—C6—H6119.7
N8—Cd1—N8i180.0C7—C6—H6119.7
N1—Cd1—N11i92.38 (4)C8—C7—C6121.45 (14)
N1i—Cd1—N11i87.62 (4)C8—C7—H7119.3
N8—Cd1—N11i86.85 (4)C6—C7—H7119.3
N8i—Cd1—N11i93.15 (4)C7—C8—C8A118.87 (12)
N1—Cd1—N1187.62 (4)C7—C8—N8122.28 (12)
N1i—Cd1—N1192.38 (4)C8A—C8—N8118.85 (11)
N8—Cd1—N1193.15 (4)N1—C8A—C4A121.24 (11)
N8i—Cd1—N1186.85 (4)N1—C8A—C8119.10 (11)
N11i—Cd1—N11180.0C4A—C8A—C8119.66 (12)
C2—N1—C8A119.26 (12)C8—N8—Cd1109.42 (8)
C2—N1—Cd1125.91 (9)C8—N8—H8A108.3 (12)
C8A—N1—Cd1113.91 (8)Cd1—N8—H8A117.2 (12)
N1—C2—C3122.93 (14)C8—N8—H8B109.8 (12)
N1—C2—H2118.5Cd1—N8—H8B103.4 (12)
C3—C2—H2118.5H8A—N8—H8B108.4 (17)
C4—C3—C2118.87 (13)C11—Ni1—C11ii180.0
C4—C3—H3120.6C11—Ni1—C1291.08 (6)
C2—C3—H3120.6C11ii—Ni1—C1288.92 (6)
C3—C4—C4A119.94 (13)C11—Ni1—C12ii88.92 (6)
C3—C4—H4120.0C11ii—Ni1—C12ii91.08 (6)
C4A—C4—H4120.0C12—Ni1—C12ii180.0
C4—C4A—C5122.97 (13)N11—C11—Ni1177.27 (13)
C4—C4A—C8A117.66 (12)C11—N11—Cd1133.82 (11)
C5—C4A—C8A119.37 (12)N12—C12—Ni1178.59 (13)
C8A—N1—C2—C30.4 (2)Cd1—N1—C8A—C4A167.20 (9)
Cd1—N1—C2—C3168.70 (12)C2—N1—C8A—C8178.04 (12)
N1—C2—C3—C41.9 (2)Cd1—N1—C8A—C812.30 (14)
C2—C3—C4—C4A0.5 (2)C4—C4A—C8A—N13.70 (18)
C3—C4—C4A—C5177.41 (14)C5—C4A—C8A—N1175.86 (12)
C3—C4—C4A—C8A2.1 (2)C4—C4A—C8A—C8176.80 (12)
C4—C4A—C5—C6179.15 (14)C5—C4A—C8A—C83.63 (18)
C8A—C4A—C5—C60.4 (2)C7—C8—C8A—N1174.40 (12)
C4A—C5—C6—C72.9 (2)N8—C8—C8A—N15.93 (17)
C5—C6—C7—C81.4 (2)C7—C8—C8A—C4A5.11 (18)
C6—C7—C8—C8A2.6 (2)N8—C8—C8A—C4A174.57 (11)
C6—C7—C8—N8177.03 (13)C7—C8—N8—Cd1160.34 (11)
C2—N1—C8A—C4A2.46 (19)C8A—C8—N8—Cd120.00 (13)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y+1, z.
Hydrogen-bond geometry (Å, º) top
Cg1 is the centroid of the C4A/C5–C8/C8A ring.
D—H···AD—HH···AD···AD—H···A
N8—H8A···N12iii0.880 (18)2.416 (18)3.2815 (18)167.8 (15)
N8—H8B···N12iv0.867 (19)2.286 (19)3.1275 (17)163.9 (17)
C3—H3···Cg1v0.952.783.6266 (17)149
C4—H4···N12vi0.952.583.443 (2)151
Symmetry codes: (iii) x, y, z+1; (iv) x, y+1/2, z+1/2; (v) x, y+3/2, z1/2; (vi) x+2, y+1/2, z+1/2.
 

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