research communications\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 82| Part 8| August 2026| Pages 952-956
https://doi.org/10.1107/S2056989026007371

Synthesis, crystal structure and thermal reactivity of di­aqua­di­thio­cyanato­bis­­(pyridine-4-carbo­nitrile)cobalt(II)

crossmark logo
Christian Näthera*

aInstitut für Anorganische Chemie, Universität Kiel, Max-Eyth.-Str. 2, 24118 Kiel, Germany
*Correspondence e-mail: [email protected]

Edited by F. Di Salvo, University of Buenos Aires, Argentina (Received 4 May 2026; accepted 17 July 2026; online 23 July 2026)

The title compound, [Co(NCS)2(C6H4N2)2(H2O)2], is isotypic to its Ni analog and to one of the two modifications of Mn(NCS)2(4-cyano­pyridine)(H2O)2 reported recently [Näther (2026View full citation). Acta Cryst. E82, 441–445 and Wellm et al. (2020View full citation). Cryst. Growth Des. 20, 3374–3385]. Its asymmetric unit is built up of one cobalt cation that occupies a center of inversion, one thio­cyanate anion, one neutral 4-cyano­pyridine coligand and one water mol­ecule that are located in general positions. The metal cations are sixfold coordinated by two terminally N-bonding thio­cyanate anions, two water mol­ecules and two 4-cyano­pyridine coligands within a slightly distorted octa­hedral geometry. The discrete complexes are linked by inter­molecular O—H⋯S hydrogen bonding into layers that condense into a three-dimensional network via weak C—H⋯N inter­actions. Powder X-ray diffraction (PXRD) proves that a pure sample has been obtained. Thermogravimetric measurements reveal that the title compound decomposes in different steps, in which compounds with the composition Co(NCS)2(4-cyano­pyridine)2 and Co(NCS)2(4-cyano­pyridine) are formed as inter­mediates, which are not isotypic to the corresponding Mn compounds already reported in the literature [Wellm et al. (2020View full citation). Cryst. Growth Des. 20, 3374–3385].

CCDC reference: 2574033

Similar articles

1. Chemical context

The synthesis of new coordination compounds with desired physical properties is still a major goal in coordination chemistry (Ferrando-Soria et al., 2017View full citation; Yue & Gao, 2019View full citation). In most cases, such compounds are prepared in solution but there are alternatives such as, for example, mol­ecular milling (Braga et al., 2005View full citation, 2006View full citation; James et al., 2012View full citation; Do & Friščić, 2017View full citation; Stolar et al., 2017View full citation) or reactions in melts (Müller-Buschbaum, 2005View full citation; Höller & Müller-Buschbaum, 2008View full citation; Zurawski et al., 2012View full citation), which represent typical solid-state synthesis methods. Many years ago, we established a further very simple method that can be used for the synthesis of coordination compounds with condensed coordination networks. In the beginning, this method was used to prepare transition-metal halide and pseudohalide coordination compounds (Näther et al., 2002View full citation) but it was later expanded to coordination compounds based on transition-metal thio- and seleno­cyanates (Näther & Greve, 2003View full citation; Wriedt & Näther, 2010View full citation; Wöhlert et al., 2012View full citation). Following this route, simple precursor compounds such as discrete complexes with terminally thio- or seleno­cyanate anions are heated, which frequently leads to a stepwise removal of the neutral coligands and the formation of coligand-deficient inter­mediate phases in which the metal cations are linked by bridging anionic ligands. These inter­mediate compounds are of inter­est because they can show inter­esting magnetic properties that are mediated by the bridging anionic ligands (Wöhlert et al., 2013View full citation; Neumann et al., 2018View full citation). In this context, compounds based on Co(NCS)2 or Co(NCSe)2 are of special inter­est, because they can show 1D and 3D magnetic ordering (Lescouëzec et al., 2005View full citation; Mautner et al., 2018View full citation; Rams et al., 2020View full citation).

In the course of our work, we investigated the influence of the coligand, which mostly consists of pyridine derivatives, because in this case the thermal treatment of the precursor leads to compounds with 1D or 2D thio- or seleno­cyanate networks. Within this project we became inter­ested in 4-cyano­pyridine as coligand, which can in principle also act as bridging ligand and for which some compounds were already reported (see Database survey). With Mn(NCS)2 we obtained a large number of compounds with different ratios between Mn(NCS)2 and 4-cyano­pyridine (Wellm et al., 2020View full citation), including the discrete complex Mn(NCS)2(4-cyano­pyridine)4 (refcode OJEDOZ; Wellm et al., 2020View full citation) as well as two different modifications of Mn(NCS)2(4-cyano­pyridine)2(H2O)2 (OJEFAN and OJEFAN01; Wellm et al., 2020View full citation), one of which is isotypic to the title compound and to Ni(NCS)2(4-cyano­pyridine)2(H2O)2 reported recently (Näther, 2026View full citation). Two further aqua complexes of same composition but with additional 4-cyano­pyridine as solvate ligand were also obtained (OJEFER and OJEFUH; Wellm et al., 2020View full citation). If the aqua complex is heated, a transformation is observed into Mn(NCS)2(4-cyano­pyridine)2 (OJEFIV; Wellm et al., 2020View full citation), which transforms into Mn(NCS)2(4-cyano­pyridine) (OJEDUF and OJEDUF01; Wellm et al., 2020View full citation) upon further heating. For the latter compound, two different isomers were obtained.

To investigate whether a corresponding aqua complex with Co(NCS)2 is available and if it will show a similar reactivity to that with Mn(NCS)2, we reacted Co(NCS)2 with 4-cyano­pyridine using similar conditions as for the synthesis of Mn(NCS)2(4-cyano­pyridine)2(H2O)2. The crystals obtained by this procedure were characterized by single-crystal X-ray diffraction.

[Scheme 1]

2. Structural commentary

The title compound Co(NCS)2(C6H4N2)2(H2O)2 (C6H4N2 = 4-cyano­pyridine) is isotypic to Ni(NCS)2(4-cyano­pyridine)2(H2O)2 (Näther, 2026View full citation) reported recently and to one of the two modifications of Mn(NCS)2(4-cyano­pyridine)2(H2O)2 (OJEFAN; Wellm et al., 2020View full citation).

The asymmetric unit consists of one Co cation that is located on a center of inversion, as well as one thio­cyanate anion, one 4-cyano­pyridine ligand and one water mol­ecule that are located in general positions. The metal cations are sixfold coordinated by two terminally N-bonding thio­cyanate anions, two water mol­ecules and two 4-cyano­pyridine ligands that coordinate with the pyridine N atom to the metal center (Fig. 1[link]). This arrangement leads to the formation of discrete complexes, which show a slightly distorted octa­hedral coordination (see supporting information).

[Figure 1]
Figure 1
Crystal structure of the title compound with labeling and displacement ellipsoids drawn at the 50% probability level. Symmetry code: (i) −x + 1, −y + 1, −z.

3. Supra­molecular features

In the crystal structure of the title compound, the discrete complexes are connected via inter­molecular O—H⋯S hydrogen bonding between the thio­cyanate S atom and the H atoms of the water mol­ecules. Each water mol­ecule is involved in two hydrogen bonds to S atoms of neighboring complexes and each S atom acts as acceptor for two hydrogen bonds to two different water mol­ecules (Fig. 2[link]). This arrangement leads to the formation of ten-membered hydrogen-bonded rings involving three symmetry-related complexes. These rings condense into layers that are parallel to the bc plane (Fig. 2[link]). The O–H⋯S angles are close to linearity, indicating relatively strong inter­actions (Table 1[link]).

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A D⋯A D—H⋯A
O1—H1A⋯S1i 0.82 (2) 2.50 (2) 3.2272 (17) 150 (3)
O1—H1B⋯S1ii 0.81 (2) 2.53 (2) 3.3227 (16) 168 (3)
C15—H15⋯N12iii 0.93 2.45 3.144 (3) 132
Symmetry codes: (i) Mathematical equation; (ii) Mathematical equation; (iii) Mathematical equation.
[Figure 2]
Figure 2
Crystal structure of the title compound in a view along the crystallographic a-axis direction with inter­molecular O—H⋯S hydrogen bonding shown as dashed lines.

The layers are linked by pairs of C—H⋯N inter­actions between the pyridine N atom of one complex and the cyano N atom of a neighboring complex, forming hydrogen-bonded rings that are located around centers of inversion (Fig. 3[link]). From this inter­action, a three-dimensional network is formed (Fig. 3[link]). The C—H⋯N angle is far from linear, indicating a weak inter­action (Table 1[link]).

[Figure 3]
Figure 3
Crystal structure of the title compound in a view along the crystallographic c-axis direction with inter­molecular O—H⋯S and C—H⋯N hydrogen bonding shown as dashed lines.

4. Additional characterization

The experimental powder pattern of crystals of the title compound was compared with that calculated from single-crystal data, proving that a pure crystalline phase had been obtained (Fig. 4[link]). The CN stretching vibration of the thio­cyanate anion is observed at 2094 cm−1 in the IR spectrum, in agreement with terminal coordinated anionic ligands and the presence of water is obvious from the strong band at 3343 cm−1 (Fig. S1).

[Figure 4]
Figure 4
Experimental (top) and calculated (bottom) PXRD patterns for the title compound.

Investigations using thermogravimetry (DTA-TG) reveal that the title compound decomposes in three different reasonably resolved steps (Fig. 5[link]). The first mass loss of 8.6% is in perfect agreement with that calculated for the loss of the two water mol­ecules (8.6%). Upon further heating, two similar steps of 24.7 and 24.5% are observed, which should each correspond to the loss of one 4-cyano­pyridine ligand in each step (Δmcalc.: 24.8%). Therefore, one can assume that after the first mass loss a compound with the composition Co(NCS)2(4-cyano­pyridine)2 is formed, which decomposes into Co(NCS)2)(4-cyano­pyridine) upon further heating. After the third mass loss Co(NCS)2 is formed. It is noted, that similar results are reported for the thermal reactivity of Mn(NCS)2(4-cyano­pyridine)2(H2O)2 (Wellm et al., 2020View full citation).

[Figure 5]
Figure 5
DTG and TG curves for the title compound. The mass loss is given together with the peak temperature (in °C).

To further characterize the inter­mediate compounds obtained by thermogravimetry, the residues isolated after the first and second mass loss were investigated by powder X-ray diffraction. Comparison of the experimental pattern of the residue obtained after the first step with that calculated for Mn(NCS)2(4-cyano­pyridine)2 retrieved from the literature (Wellm et al., 2020View full citation) indicates that this crystalline phase is present and that additional reflections are observed, indicating for a further crystalline phase (Fig. S2). However, the overall quality of the pattern is relatively low, indicating that a poorly crystalline powder was obtained. If the powder pattern of the residue obtained after the second mass loss is compared with that calculated for both isomers of Mn(NCS)2(4-cyano­pyridine), it is obvious that a completely different and unknown crystalline phase has formed (Fig. S3).

5. Synthesis and crystallization

General:

Co(NCS)2 and 4-cyano­pyridine were purchased from Sigma-Aldrich.

Synthesis:

2 mmol (354.2 mg) Co(NCS)2 and 4 mmol (416.4 mg) 4-cyano­pyridine were reacted in 3 mL of water. Within 2 d, crystals suitable for crystal structure analysis were obtained.

Experimental details

Powder X-ray diffraction measurements were performed using a Stoe STADI P transmission powder diffractometer with Cu Kα1 radiation (λ= 1.540598 Å), equipped with a Johann-type Ge(111) monochromator and a MYTHEN 1K detector from Dectris.

Thermogravimetry measurements were performed in a dynamic nitro­gen atmosphere in Al2O3 crucibles with a heating rate of 4 °C min−1 using a STA-PT 1000 thermobalance from Linseis.

IR spectroscopy was done using an ATI Mattson Genesis Series FTIR Spectrometer, control software: WINFIRST, from ATI Mattson in ATR mode.

6. Database survey

A search in the Cambridge Structural Database (CSD Version 5.43, last update January 2026; Groom et al., 2016View full citation) using CONQUEST (Bruno et al., 2002View full citation) revealed that some compounds with 4-cyano­pyridine and transition metal cations are already published. These include discrete complexes with the composition Ni(NCS)2(4-cyano­pyridine)4 (UBUBOL; Clegg & Harrington, 2016View full citation) and Mn(NCS)2(4-cyano­pyridine)4 (OJEDOZ; Wellm et al., 2020View full citation) that are not isotypic as well as aqua complexes with the composition Ni(NCS)2(4-cyano­pyridine)2(H2O)2 (YANHAB; Näther, 2026View full citation) and two different modifications of Mn(NCS)2(4-cyano­pyridine)2(H2O)2 (OJEFAN and OJEFAN01; Wellm et al., 2020View full citation) one of which is isotypic to the nickel and the title compounds. Discrete complexes with additional 4-cyano­pyridine as solvate are also known, including the isotypic compounds Fe(NCS)2(4-cyano­pyridine)2(H2O)2·(4-cyano­pyridine)2 (KAPQEA; Jochim et al., 2017View full citation) and Mn(NCS)2(4-cyano­pyridine)2(H2O)2·(4-cyano­pyridine)2 (OJEFUH; Wellm et al., 2020View full citation) as well as Mn(NCS)2(4-cyano­pyridine)2(H2O)2·(4-cyano­pyridine)4 (OJEFER; Wellm et al., 2020View full citation). Compounds with 4-cyano­pyridine and bridging thio­cyanate anions are also reported. They include Cd(NCS)2(4-cyano­pyridine)2 in which the metal cations are linked into chains (WUCLUB; Chen et al., 2002View full citation) and Cd(NCS)2(4-cyano­pyridine) (WUCMAI; Chen et al., 2002View full citation) in which the 4-cyano­pyridine ligand acts as a bridging ligand. Finally, Cu(NCS)2(4-cyano­pyridine)2 is also found, which exhibits a structure similar to that of the corresponding Mn compound (ABOVOF; Handy et al., 2017View full citation).

7. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2[link]. The C—H hydrogen atoms were positioned with idealized geometry and were refined with Uiso(H) = 1.2Ueq(C) using a riding model. The O—H hydrogen atoms were located in difference maps and were refined isotropic with Uiso(H) = 1.5Ueq(O) using restraints.

Table 2
Experimental details

Crystal data
Chemical formula [Co(NCS)2(C6H4N2)2(H2O)2]
Mr 419.35
Crystal system, space group Monoclinic, P21/c
Temperature (K) 298
a, b, c (Å) 10.7397 (5), 12.3497 (8), 7.4967 (4)
β (°) 104.596 (4)
V (Å3) 962.21 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.13
Crystal size (mm) 0.20 × 0.16 × 0.12
 
Data collection
Diffractometer Stoe IPDS2
Absorption correction Numerical (X-SHAPE and X-RED 32; Stoe, 2008View full citation)
Tmin, Tmax 0.765, 0.910
No. of measured, independent and observed [I > 2σ(I)] reflections 15445, 2301, 2058
Rint 0.031
(sin θ/λ)max (Å−1) 0.660
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.034, 0.085, 1.10
No. of reflections 2301
No. of parameters 121
No. of restraints 3
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.40, −0.29
Computer programs: X-AREA (Stoe, 2008View full citation), SHELXT (Sheldrick, 2015aView full citation), SHELXL (Sheldrick, 2015bView full citation), DIAMOND (Brandenburg, 1999View full citation), XP in SHELXTL-PC (Sheldrick, 2008View full citation) and publCIF (Westrip, 2010View full citation).

Supporting information

CCDC reference: 2574033

Crystal structure: contains datablock I. DOI: https://doi.org/10.1107/S2056989026007371/vu2019sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2056989026007371/vu2019Isup2.hkl

Figure S1. IR spectrum of the title compound. Given is the O-H stretching vibration of the water molecules and the CN stretching vibration of the thiocyanate anions. DOI: https://doi.org/10.1107/S2056989026007371/vu2019sup3.png

Figure S2. X-ray powder pattern of the residue obtained after the first mass loss (top) and calculated powder pattern for Mn(NCS)2(4-cyanopyridine)2 (bottom) using data retrieved from literature (Wellm et al., 2020). DOI: https://doi.org/10.1107/S2056989026007371/vu2019sup4.png

Figure S3. X-ray powder pattern of the residue obtained after the second mass loss (top) and calculated powder pattern for both isomers of Mn(NCS)2(4-cyanopyridine) using data retrieved from literature (Wellm et al, 2020). DOI: https://doi.org/10.1107/S2056989026007371/vu2019sup5.png

checkCIF report


Computing details top

Diaquadithiocyanatobis(pyridine-4-carbonitrile)cobalt(II) top
Crystal data top
[Co(NCS)2(C6H4N2)2(H2O)2]F(000) = 426
Mr = 419.35Dx = 1.447 Mg m−3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 10.7397 (5) ÅCell parameters from 8000 reflections
b = 12.3497 (8) Åθ = 10.0–25.0°
c = 7.4967 (4) ŵ = 1.13 mm−1
β = 104.596 (4)°T = 298 K
V = 962.21 (9) Å3Block, light blue
Z = 20.20 × 0.16 × 0.12 mm
Data collection top
Stoe IPDS-2
diffractometer		2058 reflections with I > 2σ(I)
ω scansRint = 0.031
Absorption correction: numerical
(X-Shape and X-Red 32; Stoe, 2008)		θmax = 28.0°, θmin = 2.6°
Tmin = 0.765, Tmax = 0.910h = −12→14
15445 measured reflectionsk = −16→16
2301 independent reflectionsl = −9→9
Refinement top
Refinement on F23 restraints
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.034H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.085 w = 1/[σ2(Fo2) + (0.0386P)2 + 0.2457P]
where P = (Fo2 + 2Fc2)/3
S = 1.10(Δ/σ)max < 0.001
2301 reflectionsΔρmax = 0.40 e Å−3
121 parametersΔρmin = −0.29 e Å−3
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
Co10.5000000.5000000.0000000.04781 (12)
N10.41307 (18)0.56286 (14)0.1939 (3)0.0650 (4)
C10.34588 (18)0.60302 (14)0.2716 (3)0.0517 (4)
S10.24962 (5)0.65987 (5)0.38157 (8)0.07134 (17)
O10.61498 (16)0.39204 (12)0.1917 (2)0.0700 (4)
H1A0.636 (3)0.402 (2)0.303 (2)0.105*
H1B0.656 (3)0.342 (2)0.170 (4)0.105*
N110.64730 (14)0.62443 (11)0.0722 (2)0.0541 (4)
N121.0191 (3)0.9194 (3)0.2427 (7)0.1738 (18)
C110.6192 (2)0.72943 (15)0.0807 (3)0.0632 (5)
H110.5333020.7496370.0591180.076*
C120.7119 (2)0.80896 (16)0.1201 (4)0.0730 (6)
H120.6890780.8815510.1214780.088*
C130.8386 (2)0.77856 (17)0.1572 (4)0.0722 (6)
C140.8698 (2)0.67080 (18)0.1518 (4)0.0733 (6)
H140.9551710.6485220.1775560.088*
C150.77105 (18)0.59709 (16)0.1071 (3)0.0643 (5)
H150.7916850.5242760.1010000.077*
C160.9401 (3)0.8582 (2)0.2035 (6)0.1074 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.04761 (19)0.03533 (16)0.0581 (2)0.00129 (12)0.00883 (14)−0.00217 (13)
N10.0719 (11)0.0523 (9)0.0745 (11)−0.0030 (8)0.0254 (9)−0.0088 (8)
C10.0549 (10)0.0418 (8)0.0557 (10)−0.0082 (7)0.0088 (8)−0.0016 (7)
S10.0606 (3)0.0821 (4)0.0734 (4)0.0073 (3)0.0207 (3)−0.0045 (3)
O10.0813 (10)0.0519 (8)0.0678 (9)0.0139 (7)0.0023 (8)0.0019 (7)
N110.0483 (8)0.0389 (7)0.0707 (10)0.0018 (6)0.0070 (7)−0.0040 (7)
N120.104 (2)0.101 (2)0.295 (5)−0.0540 (19)0.009 (3)−0.033 (3)
C110.0528 (10)0.0414 (9)0.0910 (15)0.0045 (8)0.0097 (10)−0.0084 (9)
C120.0699 (13)0.0394 (9)0.1041 (17)−0.0022 (9)0.0113 (12)−0.0120 (10)
C130.0641 (12)0.0533 (11)0.0932 (16)−0.0151 (9)0.0087 (11)−0.0103 (11)
C140.0476 (10)0.0589 (11)0.1054 (18)−0.0009 (9)0.0045 (11)−0.0061 (12)
C150.0496 (10)0.0420 (9)0.0946 (15)0.0039 (7)0.0056 (10)−0.0032 (9)
C160.0757 (17)0.0678 (15)0.167 (3)−0.0211 (13)0.0083 (19)−0.0175 (18)
Geometric parameters (Å, º) top
Co1—N12.0667 (18)N11—C111.336 (2)
Co1—N1i2.0668 (18)N12—C161.118 (3)
Co1—O12.1150 (14)C11—C121.376 (3)
Co1—O1i2.1151 (14)C11—H110.9300
Co1—N11i2.1738 (15)C12—C131.371 (3)
Co1—N112.1738 (15)C12—H120.9300
N1—C11.148 (2)C13—C141.375 (3)
C1—S11.634 (2)C13—C161.445 (3)
O1—H1A0.816 (17)C14—C151.373 (3)
O1—H1B0.805 (17)C14—H140.9300
N11—C151.332 (2)C15—H150.9300
N1—Co1—N1i180.0C15—N11—C11117.55 (16)
N1—Co1—O192.79 (7)C15—N11—Co1119.82 (12)
N1i—Co1—O187.21 (7)C11—N11—Co1122.62 (13)
N1—Co1—O1i87.21 (7)N11—C11—C12122.90 (19)
N1i—Co1—O1i92.79 (7)N11—C11—H11118.5
O1—Co1—O1i180.0C12—C11—H11118.5
N1—Co1—N11i90.64 (7)C13—C12—C11118.36 (19)
N1i—Co1—N11i89.36 (7)C13—C12—H12120.8
O1—Co1—N11i89.26 (6)C11—C12—H12120.8
O1i—Co1—N11i90.74 (6)C12—C13—C14119.73 (19)
N1—Co1—N1189.36 (7)C12—C13—C16120.8 (2)
N1i—Co1—N1190.64 (7)C14—C13—C16119.4 (2)
O1—Co1—N1190.74 (6)C15—C14—C13118.0 (2)
O1i—Co1—N1189.26 (6)C15—C14—H14121.0
N11i—Co1—N11180.0C13—C14—H14121.0
C1—N1—Co1166.48 (18)N11—C15—C14123.42 (18)
N1—C1—S1179.7 (2)N11—C15—H15118.3
Co1—O1—H1A124 (2)C14—C15—H15118.3
Co1—O1—H1B127 (2)N12—C16—C13178.7 (5)
H1A—O1—H1B107 (3)
Symmetry code: (i) −x+1, −y+1, −z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1A···S1ii0.82 (2)2.50 (2)3.2272 (17)150 (3)
O1—H1B···S1iii0.81 (2)2.53 (2)3.3227 (16)168 (3)
C15—H15···N12iv0.932.453.144 (3)132
Symmetry codes: (ii) −x+1, −y+1, −z+1; (iii) −x+1, y−1/2, −z+1/2; (iv) −x+2, y−1/2, −z+1/2.
 

Acknowledgements

This work was supported by the State of Schleswig-Holstein.

References

Return to citationBraga, D., Curzi, M., Grepioni, F. & Polito, M. (2005). Chem. Commun. pp. 2915–2917.  Web of Science CSD CrossRef Google Scholar
 Return to citationBraga, D., Giaffreda, S. L., Grepioni, F., Pettersen, A., Maini, L., Curzi, M. & Polito, M. (2006). Dalton Trans. pp. 1249–1263.  Web of Science CrossRef Google Scholar
 Return to citationBrandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.  Google Scholar
 Return to citationBruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F., McCabe, P., Pearson, J. & Taylor, R. (2002). Acta Cryst. B58, 389–397.  Web of Science CrossRef CAS IUCr Journals Google Scholar
 Return to citationChen, W., Liu, F. & You, X. (2002). Bull. Chem. Soc. Jpn 75, 1559–1560.  Web of Science CSD CrossRef CAS Google Scholar
 Return to citationClegg, W. & Harrington, R. W. (2016). CSD Communication (refcode UBUBOL). CCDC, Cambridge, England.  Google Scholar
 Return to citationDo, J. L. & Friščić, T. (2017). ACS Cent. Sci. 3, 13–19.  Web of Science CrossRef CAS PubMed Google Scholar
 Return to citationFerrando-Soria, J., Vallejo, J., Castellano, M., Martínez-Lillo, J., Pardo, E., Cano, J., Castro, I., Lloret, F., Ruiz-García, R. & Julve, M. (2017). Coord. Chem. Rev. 339, 17–103.  CAS Google Scholar
 Return to citationGroom, C. R., Bruno, I. J., Lightfoot, M. P. & Ward, S. C. (2016). Acta Cryst. B72, 171–179.  Web of Science CrossRef IUCr Journals Google Scholar
 Return to citationHandy, J. V., Ayala, G. & Pike, R. D. (2017). Inorg. Chim. Acta 456, 64–75.  Web of Science CSD CrossRef CAS Google Scholar
 Return to citationHöller, C. J. & Müller-Buschbaum, K. (2008). Inorg. Chem. 47, 10141–10149.  Web of Science PubMed Google Scholar
 Return to citationJames, S. L., Adams, C. J., Bolm, C., Braga, D., Collier, P., Friščić, T., Grepioni, F., Harris, K. D. M., Hyett, G., Jones, W., Krebs, A., Mack, J., Maini, L., Orpen, A. G., Parkin, I. P., Shearouse, W. C., Steed, J. W. & Waddell, D. (2012). Chem. Soc. Rev. 41, 413–447.  Web of Science CrossRef CAS PubMed Google Scholar
 Return to citationJochim, A., Jess, I. & Näther, C. (2017). Acta Cryst. E73, 463–466.  CSD CrossRef IUCr Journals Google Scholar
 Return to citationLescouëzec, R., Toma, L. M., Vaissermann, J., Verdaguer, M., Delgado, F. S., Ruiz-Pérez, C., Lloret, F. & Julve, M. (2005). Coord. Chem. Rev. 249, 2691–2729.  Google Scholar
 Return to citationMautner, F. E., Traber, M., Fischer, R. C., Torvisco, A., Reichmann, K., Speed, S., Vicente, R. & Massoud, S. S. (2018). Polyhedron 154, 436–442.  Web of Science CSD CrossRef CAS Google Scholar
 Return to citationMüller-Buschbaum, K. (2005). Z. Anorg. Allg. Chem. 631, 811–828.  Google Scholar
 Return to citationNäther, C. (2026). Acta Cryst. E82, 441–445.  CrossRef IUCr Journals Google Scholar
 Return to citationNäther, C. & Greve, J. (2003). J. Solid State Chem. 176, 259–265.  Google Scholar
 Return to citationNäther, C., Greve, J. & Jess, I. (2002). Solid State Sci. 4, 813–820.  Google Scholar
 Return to citationNeumann, T., Ceglarska, M., Germann, L. S., Rams, M., Dinnebier, R. E., Suckert, S., Jess, I. & Näther, C. (2018). Inorg. Chem. 57, 3305–3314.  Web of Science CSD CrossRef CAS PubMed Google Scholar
 Return to citationRams, M., Jochim, A., Böhme, M., Lohmiller, T., Ceglarska, M., Rams, M. M., Schnegg, A., Plass, W. & Näther, C. (2020). Chem. Eur. J. 26, 2837–2851.  Web of Science CSD CrossRef CAS PubMed Google Scholar
 Return to citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
 Return to citationSheldrick, G. M. (2015a). Acta Cryst. A71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
 Return to citationSheldrick, G. M. (2015b). Acta Cryst. C71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
 Return to citationStoe (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.  Google Scholar
 Return to citationStolar, T., Batzdorf, L., Lukin, S., Žilić, D., Motillo, C., Friščić, T., Emmerling, F., Halasz, I. & Užarević, K. (2017). Inorg. Chem. 56, 6599–6608.  Web of Science CSD CrossRef CAS PubMed Google Scholar
 Return to citationWellm, C., Neumann, T., Gallo, G., Dziubyna, A. M., Rams, M., Dinnebier, R. E. & Näther, C. (2020). Cryst. Growth Des. 20, 3374–3385.  Web of Science CSD CrossRef CAS Google Scholar
 Return to citationWestrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.  Web of Science CrossRef CAS IUCr Journals Google Scholar
 Return to citationWöhlert, S., Ruschewitz, U. & Näther, C. (2012). Cryst. Growth Des. 12, 2715–2718.  Google Scholar
 Return to citationWöhlert, S., Wriedt, M., Fic, T., Tomkowicz, Z., Haase, W. & Näther, C. (2013). Inorg. Chem. 52, 1061–1068.  Web of Science PubMed Google Scholar
 Return to citationWriedt, M. & Näther, C. (2010). Chem. Commun. 46, 4707–4709.  Web of Science CSD CrossRef CAS Google Scholar
 Return to citationYue, G. & Gao, E. Q. (2019). Coord. Chem. Rev. 382, 1–31.  Web of Science CrossRef CAS Google Scholar
 Return to citationZurawski, A., Rybak, J. C., Meyer, L. V., Matthes, P. R., Stepanenko, V., Dannenbauer, N., Würthner, F. & Müller-Buschbaum, K. (2012). Dalton Trans. 41, 4067–4078.  Web of Science CSD CrossRef CAS PubMed Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 82| Part 8| August 2026| Pages 952-956
https://doi.org/10.1107/S2056989026007371
Follow Acta Cryst. E
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS