In the title compound, [CdNi(C
9H
8N
2)
2(CN)
4]
n, the Cd and Ni atoms both lie on centres of inversion in space group
P2
1/
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
CCDC reference: 2087407
Key indicators
- Single-crystal X-ray study
- T = 170 K
- Mean
(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
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 = 563.53 | Dx = 1.736 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 9.4264 (3) Å | Cell parameters from 4057 reflections |
b = 11.8622 (3) Å | θ = 2.8–33.2° |
c = 9.8257 (3) Å | µ = 1.89 mm−1 |
β = 101.088 (2)° | T = 170 K |
V = 1078.18 (6) Å3 | Block, pale yellow |
Z = 2 | 0.15 × 0.11 × 0.07 mm |
Data collection top
Rigaku Oxford Diffraction Xcalibur, Eos, Gemini diffractometer | 4057 independent reflections |
Radiation source: fine-focus sealed X-raytube | 3319 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
ω scans | θmax = 33.2°, θmin = 2.8° |
Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2015) | h = −14→12 |
Tmin = 0.668, Tmax = 0.885 | k = −18→18 |
22794 measured reflections | l = −12→15 |
Refinement top
Refinement on F2 | Primary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.022 | H 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 reflections | Δρmax = 0.55 e Å−3 |
154 parameters | Δρmin = −0.50 e Å−3 |
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 | x | y | z | Uiso*/Ueq | |
Cd1 | 0.5000 | 0.5000 | 0.5000 | 0.01846 (4) | |
N1 | 0.69972 (12) | 0.60058 (9) | 0.46816 (12) | 0.0200 (2) | |
C2 | 0.69877 (16) | 0.69047 (12) | 0.38871 (16) | 0.0259 (3) | |
H2 | 0.6118 | 0.7094 | 0.3266 | 0.031* | |
C3 | 0.82124 (18) | 0.75965 (12) | 0.39193 (18) | 0.0286 (3) | |
H3 | 0.8173 | 0.8224 | 0.3312 | 0.034* | |
C4 | 0.94535 (17) | 0.73487 (12) | 0.48371 (16) | 0.0246 (3) | |
H4 | 1.0286 | 0.7809 | 0.4878 | 0.029* | |
C4A | 0.94994 (14) | 0.64063 (11) | 0.57272 (13) | 0.0200 (2) | |
C5 | 1.07330 (15) | 0.61251 (13) | 0.67437 (15) | 0.0252 (3) | |
H5 | 1.1583 | 0.6572 | 0.6842 | 0.030* | |
C6 | 1.06942 (16) | 0.52108 (14) | 0.75798 (16) | 0.0275 (3) | |
H6 | 1.1505 | 0.5045 | 0.8288 | 0.033* | |
C7 | 0.94610 (15) | 0.45098 (13) | 0.74017 (14) | 0.0239 (3) | |
H7 | 0.9465 | 0.3868 | 0.7981 | 0.029* | |
C8 | 0.82593 (14) | 0.47349 (11) | 0.64121 (13) | 0.0181 (2) | |
C8A | 0.82395 (13) | 0.57249 (10) | 0.55881 (12) | 0.0172 (2) | |
N8 | 0.70170 (12) | 0.40018 (9) | 0.61705 (12) | 0.0198 (2) | |
H8A | 0.694 (2) | 0.3681 (15) | 0.6961 (19) | 0.024* | |
H8B | 0.713 (2) | 0.3478 (16) | 0.5586 (19) | 0.024* | |
Ni1 | 0.5000 | 0.5000 | 0.0000 | 0.01665 (5) | |
C11 | 0.50450 (15) | 0.44216 (11) | 0.17628 (14) | 0.0217 (2) | |
N11 | 0.50472 (15) | 0.41011 (11) | 0.28716 (13) | 0.0272 (2) | |
C12 | 0.62164 (15) | 0.38568 (12) | −0.03912 (14) | 0.0219 (2) | |
N12 | 0.69773 (15) | 0.31621 (11) | −0.06549 (14) | 0.0292 (3) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cd1 | 0.01554 (6) | 0.02316 (7) | 0.01642 (7) | −0.00368 (4) | 0.00242 (4) | 0.00056 (4) |
N1 | 0.0186 (5) | 0.0198 (5) | 0.0214 (5) | −0.0013 (4) | 0.0032 (4) | 0.0026 (4) |
C2 | 0.0242 (6) | 0.0248 (6) | 0.0282 (7) | −0.0007 (5) | 0.0040 (5) | 0.0077 (5) |
C3 | 0.0302 (7) | 0.0236 (6) | 0.0329 (8) | −0.0038 (5) | 0.0088 (6) | 0.0078 (5) |
C4 | 0.0241 (7) | 0.0227 (6) | 0.0287 (7) | −0.0071 (5) | 0.0098 (5) | −0.0012 (5) |
C4A | 0.0184 (5) | 0.0209 (5) | 0.0214 (5) | −0.0029 (4) | 0.0059 (4) | −0.0036 (5) |
C5 | 0.0182 (6) | 0.0307 (7) | 0.0264 (6) | −0.0041 (5) | 0.0032 (5) | −0.0058 (5) |
C6 | 0.0196 (6) | 0.0353 (7) | 0.0250 (7) | −0.0001 (5) | −0.0023 (5) | −0.0013 (6) |
C7 | 0.0240 (6) | 0.0249 (6) | 0.0217 (6) | 0.0015 (5) | 0.0015 (5) | 0.0025 (5) |
C8 | 0.0186 (5) | 0.0188 (5) | 0.0172 (5) | −0.0005 (4) | 0.0044 (4) | −0.0011 (4) |
C8A | 0.0175 (5) | 0.0175 (5) | 0.0172 (5) | −0.0010 (4) | 0.0045 (4) | −0.0012 (4) |
N8 | 0.0223 (5) | 0.0171 (5) | 0.0202 (5) | −0.0020 (4) | 0.0045 (4) | 0.0005 (4) |
Ni1 | 0.01888 (11) | 0.01653 (10) | 0.01467 (10) | 0.00374 (8) | 0.00356 (8) | −0.00017 (7) |
C11 | 0.0235 (6) | 0.0203 (5) | 0.0213 (6) | 0.0032 (5) | 0.0041 (5) | −0.0022 (5) |
N11 | 0.0343 (7) | 0.0269 (6) | 0.0205 (5) | 0.0014 (5) | 0.0056 (4) | −0.0007 (5) |
C12 | 0.0244 (6) | 0.0217 (6) | 0.0196 (5) | 0.0029 (5) | 0.0040 (4) | 0.0016 (5) |
N12 | 0.0300 (6) | 0.0264 (6) | 0.0326 (6) | 0.0073 (5) | 0.0094 (5) | 0.0018 (5) |
Geometric parameters (Å, º) top
Cd1—N1 | 2.3005 (11) | C5—C6 | 1.365 (2) |
Cd1—N1i | 2.3005 (11) | C5—H5 | 0.9500 |
Cd1—N8 | 2.3449 (12) | C6—C7 | 1.412 (2) |
Cd1—N8i | 2.3449 (12) | C6—H6 | 0.9500 |
Cd1—N11i | 2.3554 (13) | C7—C8 | 1.3698 (19) |
Cd1—N11 | 2.3555 (13) | C7—H7 | 0.9500 |
N1—C2 | 1.3205 (17) | C8—C8A | 1.4245 (18) |
N1—C8A | 1.3691 (17) | C8—N8 | 1.4412 (17) |
C2—C3 | 1.412 (2) | N8—H8A | 0.880 (19) |
C2—H2 | 0.9500 | N8—H8B | 0.868 (19) |
C3—C4 | 1.365 (2) | Ni1—C11 | 1.8559 (14) |
C3—H3 | 0.9500 | Ni1—C11ii | 1.8560 (14) |
C4—C4A | 1.4149 (19) | Ni1—C12 | 1.8631 (13) |
C4—H4 | 0.9500 | Ni1—C12ii | 1.8631 (13) |
C4A—C5 | 1.4192 (19) | C11—N11 | 1.1536 (18) |
C4A—C8A | 1.4212 (17) | C12—N12 | 1.1542 (18) |
| | | |
N1—Cd1—N1i | 180.0 | C6—C5—C4A | 119.80 (13) |
N1—Cd1—N8 | 73.80 (4) | C6—C5—H5 | 120.1 |
N1i—Cd1—N8 | 106.20 (4) | C4A—C5—H5 | 120.1 |
N1—Cd1—N8i | 106.20 (4) | C5—C6—C7 | 120.64 (14) |
N1i—Cd1—N8i | 73.80 (4) | C5—C6—H6 | 119.7 |
N8—Cd1—N8i | 180.0 | C7—C6—H6 | 119.7 |
N1—Cd1—N11i | 92.38 (4) | C8—C7—C6 | 121.45 (14) |
N1i—Cd1—N11i | 87.62 (4) | C8—C7—H7 | 119.3 |
N8—Cd1—N11i | 86.85 (4) | C6—C7—H7 | 119.3 |
N8i—Cd1—N11i | 93.15 (4) | C7—C8—C8A | 118.87 (12) |
N1—Cd1—N11 | 87.62 (4) | C7—C8—N8 | 122.28 (12) |
N1i—Cd1—N11 | 92.38 (4) | C8A—C8—N8 | 118.85 (11) |
N8—Cd1—N11 | 93.15 (4) | N1—C8A—C4A | 121.24 (11) |
N8i—Cd1—N11 | 86.85 (4) | N1—C8A—C8 | 119.10 (11) |
N11i—Cd1—N11 | 180.0 | C4A—C8A—C8 | 119.66 (12) |
C2—N1—C8A | 119.26 (12) | C8—N8—Cd1 | 109.42 (8) |
C2—N1—Cd1 | 125.91 (9) | C8—N8—H8A | 108.3 (12) |
C8A—N1—Cd1 | 113.91 (8) | Cd1—N8—H8A | 117.2 (12) |
N1—C2—C3 | 122.93 (14) | C8—N8—H8B | 109.8 (12) |
N1—C2—H2 | 118.5 | Cd1—N8—H8B | 103.4 (12) |
C3—C2—H2 | 118.5 | H8A—N8—H8B | 108.4 (17) |
C4—C3—C2 | 118.87 (13) | C11—Ni1—C11ii | 180.0 |
C4—C3—H3 | 120.6 | C11—Ni1—C12 | 91.08 (6) |
C2—C3—H3 | 120.6 | C11ii—Ni1—C12 | 88.92 (6) |
C3—C4—C4A | 119.94 (13) | C11—Ni1—C12ii | 88.92 (6) |
C3—C4—H4 | 120.0 | C11ii—Ni1—C12ii | 91.08 (6) |
C4A—C4—H4 | 120.0 | C12—Ni1—C12ii | 180.0 |
C4—C4A—C5 | 122.97 (13) | N11—C11—Ni1 | 177.27 (13) |
C4—C4A—C8A | 117.66 (12) | C11—N11—Cd1 | 133.82 (11) |
C5—C4A—C8A | 119.37 (12) | N12—C12—Ni1 | 178.59 (13) |
| | | |
C8A—N1—C2—C3 | 0.4 (2) | Cd1—N1—C8A—C4A | −167.20 (9) |
Cd1—N1—C2—C3 | 168.70 (12) | C2—N1—C8A—C8 | −178.04 (12) |
N1—C2—C3—C4 | −1.9 (2) | Cd1—N1—C8A—C8 | 12.30 (14) |
C2—C3—C4—C4A | 0.5 (2) | C4—C4A—C8A—N1 | −3.70 (18) |
C3—C4—C4A—C5 | −177.41 (14) | C5—C4A—C8A—N1 | 175.86 (12) |
C3—C4—C4A—C8A | 2.1 (2) | C4—C4A—C8A—C8 | 176.80 (12) |
C4—C4A—C5—C6 | 179.15 (14) | C5—C4A—C8A—C8 | −3.63 (18) |
C8A—C4A—C5—C6 | −0.4 (2) | C7—C8—C8A—N1 | −174.40 (12) |
C4A—C5—C6—C7 | 2.9 (2) | N8—C8—C8A—N1 | 5.93 (17) |
C5—C6—C7—C8 | −1.4 (2) | C7—C8—C8A—C4A | 5.11 (18) |
C6—C7—C8—C8A | −2.6 (2) | N8—C8—C8A—C4A | −174.57 (11) |
C6—C7—C8—N8 | 177.03 (13) | C7—C8—N8—Cd1 | 160.34 (11) |
C2—N1—C8A—C4A | 2.46 (19) | C8A—C8—N8—Cd1 | −20.00 (13) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+1, −z. |
Hydrogen-bond geometry (Å, º) topCg1 is the centroid of the C4A/C5–C8/C8A ring. |
D—H···A | D—H | H···A | D···A | D—H···A |
N8—H8A···N12iii | 0.880 (18) | 2.416 (18) | 3.2815 (18) | 167.8 (15) |
N8—H8B···N12iv | 0.867 (19) | 2.286 (19) | 3.1275 (17) | 163.9 (17) |
C3—H3···Cg1v | 0.95 | 2.78 | 3.6266 (17) | 149 |
C4—H4···N12vi | 0.95 | 2.58 | 3.443 (2) | 151 |
Symmetry codes: (iii) x, y, z+1; (iv) x, −y+1/2, z+1/2; (v) x, −y+3/2, z−1/2; (vi) −x+2, y+1/2, −z+1/2. |