Crystal structures of three copper(II)–2,2′-bi­pyridine (bpy) compounds, [Cu(bpy)2(H2O)][SiF6]·4H2O, [Cu(bpy)2(TaF6)2] and [Cu(bpy)3][TaF6]2 and a related coordination polymer, [Cu(bpy)(H2O)2SnF6]n

Nisbet, M.L.; Hiralal, E.; Poeppelmeier, K.R.

doi:10.1107/S2056989021000633

Crystal structures of three copper(II)–2,2′-bipyridine (bpy) compounds, [Cu(bpy)₂(H₂O)][SiF₆]·4H₂O, [Cu(bpy)₂(TaF₆)₂] and [Cu(bpy)₃][TaF₆]₂ and a related coordination polymer, [Cu(bpy)(H₂O)₂SnF₆]_n

M. L. Nisbet, E. Hiralal and K. R. Poeppelmeier

The crystal structures of three copper(II)-bipyridine–MF₆ (M = Si, Ta, Sn) compounds and a related coordination polymer are reported.

Keywords: crystal structure; hydrothermal synthesis; racemic compounds; copper; main group; d⁰ early transition metal.

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Supporting information

Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989021000633/hb7957sup1.cif
Contains datablocks global, II, III, IV, I

CCDC references: 2048914; 2048918; 2048917; 2048915

checkCIF report

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
Mean (C-C) = 0.006 Å
Mean (C-C) = 0.006 Å
Mean (C-C) = 0.004 Å
R factor = 0.027
wR factor = 0.070
Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.22 Report
PLAT245_ALERT_2_C U(iso) H5A       Smaller than U(eq) O5        by      0.014 Ang   2
PLAT354_ALERT_3_C Short  O-H (X0.82,N0.98A)  O5       - H5A      .       0.69 Ang.

Alert level G
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       6.98 Why ?
PLAT128_ALERT_4_G Alternate Setting for Input Space Group     C2/c       I2/a Note
PLAT231_ALERT_4_G Hirshfeld Test (Solvent)   Si1      --F1       .        6.8 s.u.
PLAT231_ALERT_4_G Hirshfeld Test (Solvent)   Si1      --F2       .        6.8 s.u.
PLAT231_ALERT_4_G Hirshfeld Test (Solvent)   Si1      --F4       .        7.2 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1      --N2       .        6.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1      --N4       .        5.6 s.u.
PLAT794_ALERT_5_G Tentative Bond Valency for Cu1       (II)      .       2.27 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
   9 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check




Datablock: II


Alert level C
PLAT244_ALERT_4_C Low    'Solvent' Ueq as Compared to Neighbors of        Ta3 Check
PLAT244_ALERT_4_C Low    'Solvent' Ueq as Compared to Neighbors of        Ta4 Check

Alert level G
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.50 Check
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       5.16 Why ?
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)      0.001 Degree
PLAT432_ALERT_2_G Short Inter X...Y Contact  F8       ..C6               2.94 Ang.
                                                      x,y,z  =      1_555 Check
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          3 Note
              F6 Ta
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          5 Note
              F6 Ta
PLAT794_ALERT_5_G Tentative Bond Valency for Ta1       (V)       .       5.73 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Ta2       (V)       .       5.74 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Ta3       (V)       .       5.80 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Ta4       (V)       .       5.77 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  12 ALERT level G = General information/check it is not something unexpected

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   5 ALERT type 5 Informative message, check




Datablock: III



Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.504
           From the CIF: _refine_ls_abs_structure_Flack_su    0.001
PLAT244_ALERT_4_C Low    'Solvent' Ueq as Compared to Neighbors of        Ta1 Check

Alert level G
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !
PLAT033_ALERT_4_G Flack x Value Deviates > 3.0 * sigma from Zero .      0.504 Note
PLAT432_ALERT_2_G Short Inter X...Y Contact  F5       ..C16              2.88 Ang.
                                                  1+x,1+y,z  =      1_665 Check
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          2 Note
              F6 Ta
PLAT794_ALERT_5_G Tentative Bond Valency for Ta1       (V)       .       5.86 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Ta2       (V)       .       5.76 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Cu1       (I)       .       1.22 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   7 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   4 ALERT type 5 Informative message, check




Datablock: IV


Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.41 Report
PLAT213_ALERT_2_C Atom C3              has ADP max/min Ratio .....        3.5 prolat
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.9 Note

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !
PLAT794_ALERT_5_G Tentative Bond Valency for Sn1       (IV)      .       4.32 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Cu1       (II)      .       2.21 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
   4 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   4 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2017) for (I), (III); CrysAlis PRO (Rigaku OD, 2020) for (II), (IV). Cell refinement: SAINT (Bruker, 2016) for (I), (III); CrysAlis PRO (Rigaku OD, 2020) for (II), (IV). Data reduction: SAINT (Bruker, 2016) for (I), (III); CrysAlis PRO (Rigaku OD, 2020) for (II), (IV). For all structures, program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Aquabis(2,2'-bipyridine-κ²N,N')copper(II) hexafluoridosilicate tetrahydrate (I) top

Crystal data top

[Cu(C₁₀H₈N₂)₂(H₂O)][SiF₆]·4H₂O	F(000) = 2488
M_r = 608.08	D_x = 1.683 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 25.4971 (16) Å	Cell parameters from 9731 reflections
b = 13.3573 (9) Å	θ = 2.8–29.4°
c = 18.944 (2) Å	µ = 1.05 mm⁻¹
β = 131.949 (1)°	T = 100 K
V = 4798.5 (7) Å³	Block, blue
Z = 8	0.30 × 0.26 × 0.15 mm

Data collection top

Bruker APEXII CCD diffractometer	6660 independent reflections
Radiation source: sealed tube	5863 reflections with I > 2σ(I)
Triumph monochromator	R_int = 0.050
Detector resolution: 8 pixels mm^-1	θ_max = 29.5°, θ_min = 1.9°
φ and ω scans	h = −35→34
Absorption correction: multi-scan (SADABS; Bruker, 2016)	k = −18→18
T_min = 0.694, T_max = 0.746	l = −24→26
57770 measured reflections

Refinement top

Refinement on F²	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.027	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.070	w = 1/[σ²(F_o²) + (0.0277P)² + 6.982P] where P = (F_o² + 2F_c²)/3
S = 1.04	(Δ/σ)_max = 0.001
6660 reflections	Δρ_max = 0.79 e Å⁻³
374 parameters	Δρ_min = −0.24 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	U_iso*/U_eq
Cu1	0.38373 (2)	0.37571 (2)	0.22886 (2)	0.01115 (5)
O1	0.30718 (6)	0.41614 (9)	0.23571 (8)	0.0177 (2)
H1A	0.3036 (13)	0.3839 (18)	0.2650 (17)	0.035 (6)*
H1B	0.3081 (12)	0.4726 (19)	0.2479 (16)	0.033 (6)*
N1	0.37806 (6)	0.26410 (8)	0.15033 (8)	0.0120 (2)
N3	0.46003 (6)	0.48439 (9)	0.31770 (8)	0.0122 (2)
N4	0.44106 (6)	0.30358 (8)	0.35115 (8)	0.0124 (2)
N2	0.32619 (6)	0.44426 (9)	0.10503 (8)	0.0124 (2)
C6	0.31103 (7)	0.39110 (10)	0.03265 (9)	0.0117 (2)
C16	0.49954 (7)	0.35110 (10)	0.42717 (9)	0.0122 (2)
C15	0.51060 (7)	0.45257 (10)	0.40829 (9)	0.0120 (2)
C17	0.54345 (8)	0.30770 (11)	0.51640 (10)	0.0164 (3)
H17	0.584712	0.341450	0.569103	0.020*
C4	0.33051 (8)	0.22242 (11)	−0.00601 (10)	0.0166 (3)
H4	0.303744	0.241407	−0.070316	0.020*
C5	0.34040 (7)	0.28885 (10)	0.05837 (9)	0.0120 (2)
C11	0.46479 (8)	0.57742 (10)	0.29641 (10)	0.0156 (3)
H11	0.429070	0.600245	0.233009	0.019*
C18	0.52625 (8)	0.21425 (11)	0.52759 (10)	0.0181 (3)
H18	0.555859	0.183054	0.588184	0.022*
C12	0.51911 (8)	0.64187 (11)	0.36212 (11)	0.0177 (3)
H12	0.520466	0.707626	0.344271	0.021*
C20	0.42436 (8)	0.21398 (10)	0.36308 (10)	0.0149 (3)
H20	0.382534	0.181730	0.309805	0.018*
C14	0.56701 (8)	0.51293 (11)	0.47781 (10)	0.0168 (3)
H14	0.602223	0.488785	0.540838	0.020*
C19	0.46602 (8)	0.16686 (11)	0.45043 (10)	0.0165 (3)
H19	0.453313	0.103009	0.457052	0.020*
C10	0.30008 (8)	0.53675 (10)	0.08876 (10)	0.0151 (3)
H10	0.309292	0.572663	0.139338	0.018*
C3	0.36042 (9)	0.12784 (11)	0.02521 (11)	0.0197 (3)
H3	0.353934	0.080777	−0.017661	0.024*
C2	0.39978 (9)	0.10290 (11)	0.11951 (11)	0.0192 (3)
H2	0.421146	0.038806	0.142568	0.023*
C9	0.26007 (8)	0.58174 (11)	0.00054 (10)	0.0165 (3)
H9	0.242705	0.647922	−0.009131	0.020*
C13	0.57152 (8)	0.60901 (11)	0.45437 (11)	0.0187 (3)
H13	0.609914	0.651426	0.500877	0.022*
C7	0.27095 (8)	0.43169 (11)	−0.05742 (10)	0.0159 (3)
H7	0.260819	0.393583	−0.107643	0.019*
C1	0.40748 (8)	0.17297 (10)	0.17963 (10)	0.0158 (3)
H1	0.434783	0.155761	0.244450	0.019*
C8	0.24582 (8)	0.52859 (11)	−0.07328 (10)	0.0178 (3)
H8	0.219083	0.558236	−0.134231	0.021*
Si1	0.23943 (2)	0.20875 (3)	0.28568 (3)	0.01040 (8)
F4	0.30094 (5)	0.12511 (7)	0.36761 (6)	0.02014 (19)
F2	0.26224 (5)	0.18737 (8)	0.22236 (6)	0.0246 (2)
F6	0.17998 (5)	0.11481 (6)	0.22816 (6)	0.02098 (19)
F3	0.30005 (5)	0.30181 (7)	0.34414 (6)	0.01928 (18)
F5	0.21850 (6)	0.23088 (7)	0.35102 (8)	0.0248 (2)
F1	0.17872 (5)	0.29058 (7)	0.20409 (7)	0.0281 (2)
O2	0.14362 (8)	0.48395 (10)	0.17503 (12)	0.0332 (3)
H2A	0.1591 (11)	0.4330 (17)	0.1834 (15)	0.023 (5)*
H2B	0.1657 (13)	0.5213 (19)	0.1710 (17)	0.036 (6)*
O3	0.39995 (8)	0.19743 (10)	0.68756 (10)	0.0252 (3)
H3A	0.3668 (14)	0.2152 (18)	0.6774 (17)	0.037 (7)*
H3B	0.4124 (14)	0.156 (2)	0.7206 (19)	0.046 (8)*
O4	0.41008 (7)	0.12569 (10)	0.56108 (9)	0.0246 (3)
H4A	0.3995 (12)	0.1479 (17)	0.5847 (16)	0.028 (6)*
H4B	0.3776 (14)	0.1313 (17)	0.5077 (19)	0.036 (7)*
O5	0.54187 (8)	0.03556 (10)	0.68866 (10)	0.0267 (3)
H5A	0.5100 (11)	0.0531 (15)	0.6479 (15)	0.013 (5)*
H5B	0.5669 (13)	0.0274 (18)	0.6773 (17)	0.040 (7)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu1	0.01351 (9)	0.00970 (8)	0.00754 (8)	0.00123 (6)	0.00592 (7)	0.00124 (5)
O1	0.0241 (6)	0.0120 (5)	0.0260 (6)	0.0011 (4)	0.0205 (5)	0.0028 (4)
N1	0.0122 (6)	0.0115 (5)	0.0113 (5)	0.0010 (4)	0.0075 (5)	0.0002 (4)
N3	0.0126 (6)	0.0127 (5)	0.0104 (5)	−0.0005 (4)	0.0074 (5)	0.0006 (4)
N4	0.0132 (6)	0.0124 (5)	0.0110 (5)	0.0015 (4)	0.0078 (5)	0.0019 (4)
N2	0.0138 (6)	0.0115 (5)	0.0103 (5)	0.0019 (4)	0.0074 (5)	0.0009 (4)
C6	0.0118 (6)	0.0125 (6)	0.0107 (6)	−0.0002 (5)	0.0074 (5)	0.0001 (5)
C16	0.0122 (6)	0.0132 (6)	0.0121 (6)	0.0020 (5)	0.0085 (5)	0.0014 (5)
C15	0.0117 (6)	0.0136 (6)	0.0115 (6)	0.0010 (5)	0.0080 (5)	0.0006 (5)
C17	0.0128 (7)	0.0194 (7)	0.0114 (6)	0.0012 (5)	0.0058 (6)	0.0015 (5)
C4	0.0212 (8)	0.0165 (6)	0.0141 (6)	0.0005 (5)	0.0126 (6)	−0.0010 (5)
C5	0.0116 (6)	0.0122 (6)	0.0118 (6)	0.0000 (5)	0.0078 (5)	0.0004 (5)
C11	0.0179 (7)	0.0141 (6)	0.0144 (6)	−0.0008 (5)	0.0105 (6)	0.0016 (5)
C18	0.0171 (7)	0.0211 (7)	0.0134 (6)	0.0056 (5)	0.0090 (6)	0.0078 (5)
C12	0.0206 (7)	0.0137 (6)	0.0201 (7)	−0.0039 (5)	0.0141 (6)	−0.0014 (5)
C20	0.0151 (7)	0.0151 (6)	0.0142 (6)	0.0003 (5)	0.0097 (6)	0.0015 (5)
C14	0.0145 (7)	0.0189 (7)	0.0130 (6)	−0.0010 (5)	0.0075 (6)	−0.0011 (5)
C19	0.0193 (7)	0.0146 (6)	0.0191 (7)	0.0033 (5)	0.0142 (6)	0.0049 (5)
C10	0.0170 (7)	0.0129 (6)	0.0138 (6)	0.0017 (5)	0.0097 (6)	0.0004 (5)
C3	0.0268 (8)	0.0155 (6)	0.0216 (7)	0.0002 (6)	0.0181 (7)	−0.0038 (5)
C2	0.0240 (8)	0.0133 (6)	0.0241 (7)	0.0044 (5)	0.0177 (7)	0.0011 (5)
C9	0.0169 (7)	0.0136 (6)	0.0144 (6)	0.0041 (5)	0.0085 (6)	0.0037 (5)
C13	0.0166 (7)	0.0188 (7)	0.0181 (7)	−0.0049 (5)	0.0105 (6)	−0.0053 (5)
C7	0.0167 (7)	0.0179 (6)	0.0103 (6)	0.0007 (5)	0.0078 (6)	0.0006 (5)
C1	0.0178 (7)	0.0133 (6)	0.0159 (6)	0.0037 (5)	0.0111 (6)	0.0029 (5)
C8	0.0177 (7)	0.0183 (7)	0.0123 (6)	0.0033 (5)	0.0080 (6)	0.0047 (5)
Si1	0.01073 (18)	0.00884 (15)	0.00999 (16)	0.00026 (13)	0.00624 (15)	0.00056 (12)
F4	0.0190 (5)	0.0192 (4)	0.0132 (4)	0.0048 (3)	0.0070 (4)	0.0019 (3)
F2	0.0299 (5)	0.0312 (5)	0.0166 (4)	−0.0035 (4)	0.0171 (4)	−0.0048 (4)
F6	0.0171 (4)	0.0126 (4)	0.0194 (4)	−0.0030 (3)	0.0065 (4)	0.0002 (3)
F3	0.0205 (5)	0.0198 (4)	0.0144 (4)	−0.0078 (3)	0.0103 (4)	−0.0032 (3)
F5	0.0360 (6)	0.0175 (4)	0.0397 (6)	−0.0025 (4)	0.0331 (5)	−0.0043 (4)
F1	0.0198 (5)	0.0147 (4)	0.0271 (5)	0.0010 (4)	0.0063 (4)	0.0065 (4)
O2	0.0311 (7)	0.0166 (6)	0.0643 (10)	0.0028 (5)	0.0371 (8)	0.0061 (6)
O3	0.0239 (7)	0.0252 (6)	0.0312 (7)	−0.0023 (5)	0.0204 (6)	−0.0025 (5)
O4	0.0253 (7)	0.0281 (6)	0.0154 (6)	−0.0004 (5)	0.0116 (6)	0.0012 (5)
O5	0.0242 (7)	0.0280 (6)	0.0323 (7)	0.0018 (5)	0.0207 (7)	0.0037 (5)

Geometric parameters (Å, º) top

Cu1—O1	2.1112 (11)	C20—C19	1.3831 (19)
Cu1—N1	2.0419 (12)	C14—H14	0.9500
Cu1—N3	2.0849 (12)	C14—C13	1.388 (2)
Cu1—N4	1.9760 (11)	C19—H19	0.9500
Cu1—N2	1.9730 (11)	C10—H10	0.9500
O1—H1A	0.76 (3)	C10—C9	1.3841 (19)
O1—H1B	0.78 (2)	C3—H3	0.9500
N1—C5	1.3527 (17)	C3—C2	1.383 (2)
N1—C1	1.3401 (17)	C2—H2	0.9500
N3—C15	1.3528 (17)	C2—C1	1.383 (2)
N3—C11	1.3368 (17)	C9—H9	0.9500
N4—C16	1.3525 (18)	C9—C8	1.383 (2)
N4—C20	1.3392 (18)	C13—H13	0.9500
N2—C6	1.3510 (17)	C7—H7	0.9500
N2—C10	1.3379 (18)	C7—C8	1.385 (2)
C6—C5	1.4749 (18)	C1—H1	0.9500
C6—C7	1.3852 (18)	C8—H8	0.9500
C16—C15	1.4761 (19)	Si1—F4	1.6918 (9)
C16—C17	1.3845 (19)	Si1—F2	1.6708 (10)
C15—C14	1.3860 (19)	Si1—F6	1.6886 (9)
C17—H17	0.9500	Si1—F3	1.6947 (9)
C17—C18	1.386 (2)	Si1—F5	1.6695 (10)
C4—H4	0.9500	Si1—F1	1.6677 (10)
C4—C5	1.3883 (19)	O2—H2A	0.75 (2)
C4—C3	1.387 (2)	O2—H2B	0.79 (3)
C11—H11	0.9500	O3—H3A	0.77 (3)
C11—C12	1.380 (2)	O3—H3B	0.73 (3)
C18—H18	0.9500	O4—H4A	0.72 (2)
C18—C19	1.376 (2)	O4—H4B	0.77 (3)
C12—H12	0.9500	O5—H5A	0.69 (2)
C12—C13	1.382 (2)	O5—H5B	0.81 (3)
C20—H20	0.9500

N1—Cu1—O1	127.84 (5)	N4—C20—H20	118.9
N1—Cu1—N3	132.07 (5)	N4—C20—C19	122.15 (14)
N3—Cu1—O1	100.04 (5)	C19—C20—H20	118.9
N4—Cu1—O1	92.43 (5)	C15—C14—H14	120.4
N4—Cu1—N1	97.75 (5)	C15—C14—C13	119.29 (13)
N4—Cu1—N3	80.40 (5)	C13—C14—H14	120.4
N2—Cu1—O1	88.34 (5)	C18—C19—C20	118.74 (13)
N2—Cu1—N1	80.70 (5)	C18—C19—H19	120.6
N2—Cu1—N3	100.81 (5)	C20—C19—H19	120.6
N2—Cu1—N4	178.43 (5)	N2—C10—H10	119.0
Cu1—O1—H1A	118.2 (18)	N2—C10—C9	122.06 (13)
Cu1—O1—H1B	114.6 (17)	C9—C10—H10	119.0
H1A—O1—H1B	109 (2)	C4—C3—H3	120.4
C5—N1—Cu1	113.79 (9)	C2—C3—C4	119.18 (13)
C1—N1—Cu1	127.88 (10)	C2—C3—H3	120.4
C1—N1—C5	118.32 (12)	C3—C2—H2	120.6
C15—N3—Cu1	112.90 (9)	C1—C2—C3	118.80 (14)
C11—N3—Cu1	128.87 (10)	C1—C2—H2	120.6
C11—N3—C15	118.23 (12)	C10—C9—H9	120.6
C16—N4—Cu1	116.39 (9)	C8—C9—C10	118.78 (13)
C20—N4—Cu1	124.34 (10)	C8—C9—H9	120.6
C20—N4—C16	119.23 (12)	C12—C13—C14	118.78 (14)
C6—N2—Cu1	116.33 (9)	C12—C13—H13	120.6
C10—N2—Cu1	124.23 (9)	C14—C13—H13	120.6
C10—N2—C6	119.40 (12)	C6—C7—H7	120.4
N2—C6—C5	114.45 (11)	C6—C7—C8	119.10 (13)
N2—C6—C7	121.29 (12)	C8—C7—H7	120.4
C7—C6—C5	124.26 (12)	N1—C1—C2	122.79 (13)
N4—C16—C15	115.22 (12)	N1—C1—H1	118.6
N4—C16—C17	121.31 (13)	C2—C1—H1	118.6
C17—C16—C15	123.42 (13)	C9—C8—C7	119.32 (13)
N3—C15—C16	114.92 (12)	C9—C8—H8	120.3
N3—C15—C14	121.76 (13)	C7—C8—H8	120.3
C14—C15—C16	123.29 (12)	F4—Si1—F3	90.21 (5)
C16—C17—H17	120.5	F2—Si1—F4	89.52 (5)
C16—C17—C18	118.93 (14)	F2—Si1—F6	90.16 (5)
C18—C17—H17	120.5	F2—Si1—F3	89.51 (5)
C5—C4—H4	120.6	F6—Si1—F4	89.03 (5)
C3—C4—H4	120.6	F6—Si1—F3	179.18 (5)
C3—C4—C5	118.83 (13)	F5—Si1—F4	89.80 (5)
N1—C5—C6	114.73 (11)	F5—Si1—F2	178.71 (6)
N1—C5—C4	122.06 (13)	F5—Si1—F6	90.92 (5)
C4—C5—C6	123.21 (12)	F5—Si1—F3	89.40 (5)
N3—C11—H11	118.4	F1—Si1—F4	179.43 (6)
N3—C11—C12	123.13 (13)	F1—Si1—F2	89.97 (6)
C12—C11—H11	118.4	F1—Si1—F6	90.70 (5)
C17—C18—H18	120.2	F1—Si1—F3	90.05 (5)
C19—C18—C17	119.62 (13)	F1—Si1—F5	90.71 (6)
C19—C18—H18	120.2	H2A—O2—H2B	106 (2)
C11—C12—H12	120.6	H3A—O3—H3B	103 (3)
C11—C12—C13	118.79 (13)	H4A—O4—H4B	105 (2)
C13—C12—H12	120.6	H5A—O5—H5B	107 (2)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···F3	0.76 (3)	1.91 (3)	2.6616 (14)	177 (3)
O1—H1B···F6ⁱ	0.78 (2)	1.93 (2)	2.7053 (14)	170 (2)
O2—H2A···F1	0.75 (2)	1.94 (2)	2.6677 (17)	164 (2)
O2—H2B···F4ⁱ	0.79 (3)	2.00 (3)	2.7807 (17)	167 (2)
O3—H3A···F5ⁱⁱ	0.77 (3)	1.99 (3)	2.7607 (18)	177 (3)
O3—H3B···O5ⁱⁱⁱ	0.73 (3)	2.06 (3)	2.779 (2)	171 (3)
O4—H4A···O3	0.72 (2)	2.05 (2)	2.749 (2)	162 (2)
O4—H4B···F4	0.77 (3)	1.98 (3)	2.7462 (16)	170 (2)
O5—H5A···O4	0.69 (2)	2.13 (2)	2.779 (2)	158 (2)
O5—H5B···O2^iv	0.81 (3)	1.99 (3)	2.786 (2)	169 (2)

Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x+1, y, −z+3/2; (iv) x+1/2, −y+1/2, z+1/2.

Bis(2,2'-bipyridine-3κ²N,N')-di-µ-fluorido-1:3κ²F:F;2:3κ²F:F-decafluorido-1κ⁵F,2κ⁵F-copper(II)ditantalum(V) (II) top

Crystal data top

[CuTa₂F₁₂(C₁₀H₈N₂)₂]	Z = 4
M_r = 965.81	F(000) = 1788
Triclinic, P1	D_x = 2.543 Mg m⁻³
a = 9.5465 (1) Å	Mo Kα radiation, λ = 0.71073 Å
b = 10.5102 (1) Å	Cell parameters from 52090 reflections
c = 25.9853 (4) Å	θ = 2.1–33.9°
α = 96.723 (1)°	µ = 9.60 mm⁻¹
β = 100.256 (1)°	T = 100 K
γ = 96.672 (1)°	Plate, blue
V = 2522.78 (5) Å³	0.52 × 0.32 × 0.22 mm

Data collection top

Rigaku Oxford Diffraction XtaLAB Synergy, Single source at offset/far, HyPix diffractometer	18263 independent reflections
Radiation source: micro-focus sealed X-ray tube, PhotonJet (Mo) X-ray Source	15170 reflections with I > 2σ(I)
Mirror monochromator	R_int = 0.060
Detector resolution: 10.0000 pixels mm^-1	θ_max = 33.9°, θ_min = 2.0°
ω scans	h = −14→13
Absorption correction: gaussian Crysalispro (Rigaku OD, 2020)	k = −16→16
T_min = 0.035, T_max = 0.414	l = −40→39
93570 measured reflections

Refinement top

Refinement on F²	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.037	w = 1/[σ²(F_o²) + (0.0409P)² + 5.1565P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.088	(Δ/σ)_max = 0.002
S = 1.05	Δρ_max = 1.67 e Å⁻³
18263 reflections	Δρ_min = −3.53 e Å⁻³
704 parameters	Extinction correction: SHELXL-2018/3 (Sheldrick 2015b), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00034 (4)

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ta2	0.98596 (2)	1.10178 (2)	0.12906 (2)	0.01573 (4)
Ta1	0.41338 (2)	0.45975 (2)	0.10819 (2)	0.01761 (4)
Cu1	0.68618 (5)	0.78568 (5)	0.13192 (2)	0.01516 (9)
F9	0.9510 (3)	1.1887 (3)	0.19295 (10)	0.0252 (5)
F5	0.2489 (3)	0.4552 (3)	0.14002 (11)	0.0267 (6)
F8	0.7872 (3)	1.0564 (3)	0.10038 (11)	0.0260 (6)
F12	1.0286 (3)	1.0247 (3)	0.06509 (10)	0.0239 (5)
F11	1.1860 (3)	1.1389 (3)	0.15719 (11)	0.0262 (6)
F3	0.5185 (3)	0.4088 (3)	0.16953 (11)	0.0247 (5)
F7	0.9770 (3)	0.9436 (3)	0.15757 (11)	0.0294 (6)
F4	0.3621 (3)	0.2852 (3)	0.07704 (12)	0.0305 (6)
F10	0.9810 (3)	1.2592 (2)	0.10011 (11)	0.0256 (6)
F2	0.5792 (3)	0.4746 (3)	0.07763 (12)	0.0331 (6)
F6	0.3068 (3)	0.5133 (3)	0.04785 (11)	0.0270 (6)
F1	0.4651 (3)	0.6364 (2)	0.14024 (11)	0.0269 (6)
N3	0.7804 (4)	0.6735 (3)	0.17963 (14)	0.0160 (6)
N1	0.5349 (3)	0.8408 (3)	0.08062 (14)	0.0157 (6)
N4	0.8057 (4)	0.7153 (3)	0.08444 (14)	0.0152 (6)
N2	0.6440 (4)	0.9307 (3)	0.17981 (14)	0.0157 (6)
C2	0.3580 (5)	0.8158 (4)	0.00134 (18)	0.0216 (8)
H2	0.319847	0.772106	−0.033323	0.026*
C20	0.8274 (4)	0.7603 (4)	0.04025 (17)	0.0175 (7)
H20	0.767028	0.818420	0.025928	0.021*
C17	0.9999 (5)	0.5935 (4)	0.08156 (18)	0.0215 (8)
H17	1.057912	0.534030	0.096134	0.026*
C5	0.4765 (4)	0.9423 (4)	0.10083 (16)	0.0152 (7)
C7	0.5236 (4)	1.1185 (4)	0.17918 (17)	0.0185 (8)
H7	0.455457	1.165969	0.161648	0.022*
C6	0.5475 (4)	1.0002 (4)	0.15501 (16)	0.0162 (7)
C11	0.7482 (4)	0.6497 (4)	0.22631 (17)	0.0189 (8)
H11	0.688936	0.702667	0.242198	0.023*
C12	0.7986 (5)	0.5507 (4)	0.25202 (17)	0.0200 (8)
H12	0.777478	0.537798	0.285559	0.024*
C15	0.8624 (4)	0.5978 (4)	0.15622 (16)	0.0157 (7)
C8	0.6014 (5)	1.1659 (4)	0.22958 (17)	0.0206 (8)
H8	0.588245	1.247440	0.246647	0.025*
C19	0.9357 (5)	0.7250 (4)	0.01437 (17)	0.0208 (8)
H19	0.948827	0.757597	−0.017295	0.025*
C9	0.6985 (5)	1.0938 (4)	0.25498 (18)	0.0211 (8)
H9	0.750625	1.123962	0.289801	0.025*
C3	0.2968 (4)	0.9182 (4)	0.02197 (17)	0.0207 (8)
H3	0.214765	0.944598	0.001826	0.025*
C16	0.8910 (4)	0.6331 (4)	0.10567 (16)	0.0158 (7)
C1	0.4762 (4)	0.7779 (4)	0.03212 (16)	0.0182 (7)
H1	0.516609	0.705646	0.018558	0.022*
C14	0.9133 (4)	0.4946 (4)	0.17934 (17)	0.0197 (8)
H14	0.969857	0.440928	0.162279	0.024*
C4	0.3562 (4)	0.9825 (4)	0.07255 (17)	0.0184 (8)
H4	0.315036	1.052700	0.087389	0.022*
C18	1.0233 (5)	0.6418 (4)	0.03578 (18)	0.0230 (8)
H18	1.099428	0.617504	0.019383	0.028*
C10	0.7175 (4)	0.9771 (4)	0.22842 (16)	0.0179 (7)
H10	0.785232	0.928262	0.245294	0.021*
C13	0.8803 (5)	0.4712 (4)	0.22762 (18)	0.0216 (8)
H13	0.913687	0.400990	0.243799	0.026*
Ta3	−0.00635 (2)	0.33576 (2)	0.38898 (2)	0.02034 (4)
Ta4	0.63142 (2)	−0.13811 (2)	0.36861 (2)	0.02023 (4)
Cu2	0.29152 (6)	0.10318 (5)	0.36059 (2)	0.01799 (10)
F21	0.8047 (3)	−0.0728 (3)	0.34984 (13)	0.0329 (7)
F13	0.0337 (3)	0.1905 (3)	0.34529 (12)	0.0312 (6)
F23	0.5569 (3)	−0.2131 (3)	0.29738 (11)	0.0307 (6)
F16	−0.0387 (3)	0.4811 (3)	0.43312 (13)	0.0359 (7)
F24	0.4541 (3)	−0.2063 (4)	0.38472 (13)	0.0458 (9)
F15	−0.1820 (3)	0.3384 (3)	0.34261 (12)	0.0359 (7)
F19	0.5514 (3)	0.0146 (3)	0.35417 (13)	0.0383 (7)
F22	0.7064 (3)	−0.2934 (3)	0.38108 (16)	0.0460 (9)
F14	−0.0971 (4)	0.2243 (3)	0.42789 (14)	0.0484 (9)
F20	0.6966 (4)	−0.0686 (4)	0.44044 (13)	0.0504 (9)
N7	0.1943 (4)	−0.0253 (3)	0.39661 (14)	0.0170 (6)
F17	0.0823 (4)	0.4475 (3)	0.34739 (15)	0.0440 (8)
N5	0.3281 (4)	0.2525 (3)	0.32378 (14)	0.0182 (7)
N6	0.4368 (4)	0.2126 (3)	0.41895 (14)	0.0181 (7)
N8	0.2405 (4)	−0.0415 (3)	0.29996 (15)	0.0191 (7)
F18	0.1739 (4)	0.3349 (4)	0.43259 (17)	0.0627 (12)
C39	0.2640 (5)	−0.1563 (4)	0.21782 (18)	0.0218 (8)
H39	0.291350	−0.154459	0.184489	0.026*
C26	0.4974 (4)	0.3223 (4)	0.40414 (17)	0.0178 (7)
C23	0.3995 (5)	0.4718 (4)	0.2798 (2)	0.0259 (9)
H23	0.426235	0.545695	0.264082	0.031*
C35	0.1492 (4)	−0.1430 (4)	0.36712 (16)	0.0168 (7)
C33	0.0475 (5)	−0.2200 (4)	0.43722 (18)	0.0221 (8)
H33	−0.002722	−0.287185	0.451181	0.027*
C37	0.1677 (4)	−0.2708 (4)	0.28085 (17)	0.0199 (8)
H37	0.129683	−0.348965	0.291495	0.024*
C22	0.2878 (5)	0.3774 (4)	0.25324 (18)	0.0233 (8)
H22	0.234903	0.387033	0.219656	0.028*
C31	0.1648 (4)	−0.0038 (4)	0.44524 (17)	0.0202 (8)
H31	0.192692	0.080082	0.465036	0.024*
C34	0.0740 (5)	−0.2408 (4)	0.38662 (18)	0.0212 (8)
H34	0.040589	−0.322079	0.365254	0.025*
C27	0.6082 (5)	0.4046 (5)	0.43749 (19)	0.0254 (9)
H27	0.649078	0.480936	0.426353	0.030*
C32	0.0950 (5)	−0.1001 (4)	0.46741 (18)	0.0217 (8)
H32	0.079950	−0.084253	0.502625	0.026*
C36	0.1841 (4)	−0.1539 (4)	0.31391 (16)	0.0166 (7)
C29	0.5970 (5)	0.2631 (5)	0.50230 (19)	0.0272 (9)
H29	0.629406	0.241474	0.536481	0.033*
C21	0.2552 (5)	0.2689 (4)	0.27675 (17)	0.0214 (8)
H21	0.178536	0.204241	0.258864	0.026*
C25	0.4332 (4)	0.3463 (4)	0.35056 (17)	0.0180 (7)
C24	0.4716 (5)	0.4571 (4)	0.32964 (18)	0.0226 (8)
H24	0.545932	0.522120	0.348967	0.027*
C38	0.2078 (5)	−0.2715 (4)	0.23199 (19)	0.0232 (9)
H38	0.196865	−0.350143	0.208612	0.028*
C30	0.4876 (5)	0.1833 (4)	0.46724 (17)	0.0215 (8)
H30	0.447016	0.105492	0.477449	0.026*
C40	0.2796 (5)	−0.0435 (4)	0.25308 (17)	0.0215 (8)
H40	0.319631	0.035248	0.243508	0.026*
C28	0.6592 (5)	0.3750 (5)	0.4873 (2)	0.0293 (10)
H28	0.735536	0.430406	0.510793	0.035*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ta2	0.01384 (7)	0.01637 (7)	0.01688 (8)	0.00172 (5)	0.00301 (6)	0.00224 (6)
Ta1	0.01627 (8)	0.01625 (8)	0.02005 (8)	0.00161 (6)	0.00173 (6)	0.00487 (6)
Cu1	0.0163 (2)	0.0154 (2)	0.0156 (2)	0.00803 (17)	0.00351 (17)	0.00329 (17)
F9	0.0252 (13)	0.0316 (14)	0.0196 (13)	0.0051 (11)	0.0082 (10)	0.0003 (10)
F5	0.0206 (12)	0.0359 (15)	0.0268 (14)	0.0074 (11)	0.0059 (10)	0.0120 (12)
F8	0.0158 (11)	0.0372 (15)	0.0237 (13)	−0.0007 (10)	0.0022 (10)	0.0056 (11)
F12	0.0263 (13)	0.0245 (13)	0.0211 (13)	0.0048 (10)	0.0066 (10)	−0.0008 (10)
F11	0.0153 (11)	0.0350 (15)	0.0263 (14)	0.0025 (10)	0.0027 (10)	−0.0012 (11)
F3	0.0234 (12)	0.0226 (12)	0.0267 (14)	0.0041 (10)	−0.0023 (10)	0.0076 (10)
F7	0.0364 (15)	0.0221 (13)	0.0290 (15)	0.0037 (11)	0.0015 (12)	0.0091 (11)
F4	0.0407 (16)	0.0173 (12)	0.0287 (15)	0.0020 (11)	−0.0023 (12)	0.0000 (11)
F10	0.0352 (15)	0.0184 (12)	0.0280 (14)	0.0070 (10)	0.0140 (11)	0.0069 (10)
F2	0.0247 (14)	0.0439 (17)	0.0319 (16)	0.0030 (12)	0.0093 (12)	0.0062 (13)
F6	0.0278 (13)	0.0303 (14)	0.0227 (13)	0.0026 (11)	0.0000 (11)	0.0117 (11)
F1	0.0296 (14)	0.0183 (12)	0.0300 (15)	0.0009 (10)	0.0004 (11)	0.0029 (10)
N3	0.0158 (15)	0.0143 (14)	0.0187 (16)	0.0053 (12)	0.0041 (12)	0.0016 (12)
N1	0.0146 (14)	0.0137 (14)	0.0202 (17)	0.0051 (11)	0.0038 (12)	0.0038 (12)
N4	0.0160 (15)	0.0129 (14)	0.0174 (16)	0.0022 (11)	0.0033 (12)	0.0038 (12)
N2	0.0160 (15)	0.0150 (14)	0.0175 (16)	0.0050 (12)	0.0046 (12)	0.0029 (12)
C2	0.0221 (19)	0.0216 (19)	0.020 (2)	0.0054 (15)	−0.0001 (16)	0.0030 (16)
C20	0.0166 (17)	0.0168 (17)	0.0206 (19)	0.0036 (14)	0.0042 (15)	0.0069 (14)
C17	0.0194 (19)	0.022 (2)	0.024 (2)	0.0082 (15)	0.0056 (16)	0.0004 (16)
C5	0.0154 (16)	0.0151 (16)	0.0179 (18)	0.0046 (13)	0.0060 (14)	0.0066 (14)
C7	0.0164 (17)	0.0166 (17)	0.024 (2)	0.0054 (14)	0.0058 (15)	0.0023 (15)
C6	0.0149 (17)	0.0159 (17)	0.0205 (19)	0.0054 (13)	0.0062 (14)	0.0061 (14)
C11	0.0187 (18)	0.0192 (18)	0.0190 (19)	0.0046 (14)	0.0036 (15)	0.0022 (15)
C12	0.0231 (19)	0.0213 (19)	0.0171 (19)	0.0032 (15)	0.0043 (15)	0.0082 (15)
C15	0.0139 (16)	0.0158 (17)	0.0175 (18)	0.0043 (13)	0.0022 (14)	0.0016 (14)
C8	0.0221 (19)	0.0179 (18)	0.022 (2)	0.0032 (15)	0.0071 (16)	−0.0005 (15)
C19	0.0218 (19)	0.0219 (19)	0.020 (2)	0.0021 (15)	0.0085 (16)	0.0030 (15)
C9	0.0214 (19)	0.0197 (19)	0.021 (2)	0.0008 (15)	0.0043 (16)	−0.0010 (15)
C3	0.0170 (18)	0.024 (2)	0.021 (2)	0.0066 (15)	0.0005 (15)	0.0056 (16)
C16	0.0163 (17)	0.0135 (16)	0.0176 (18)	0.0029 (13)	0.0032 (14)	0.0013 (13)
C1	0.0207 (18)	0.0179 (18)	0.0177 (19)	0.0067 (15)	0.0046 (15)	0.0032 (14)
C14	0.0188 (18)	0.0176 (18)	0.023 (2)	0.0048 (14)	0.0033 (15)	0.0016 (15)
C4	0.0164 (17)	0.0169 (17)	0.024 (2)	0.0069 (14)	0.0039 (15)	0.0047 (15)
C18	0.021 (2)	0.025 (2)	0.025 (2)	0.0069 (16)	0.0092 (17)	0.0003 (17)
C10	0.0192 (18)	0.0190 (18)	0.0163 (18)	0.0045 (14)	0.0037 (14)	0.0033 (14)
C13	0.023 (2)	0.0180 (18)	0.023 (2)	0.0063 (15)	−0.0007 (16)	0.0056 (15)
Ta3	0.02110 (8)	0.01596 (8)	0.02421 (9)	0.00380 (6)	0.00382 (6)	0.00350 (6)
Ta4	0.01788 (8)	0.02380 (9)	0.01855 (9)	0.00452 (6)	0.00136 (6)	0.00287 (6)
Cu2	0.0231 (2)	0.0138 (2)	0.0162 (2)	−0.00050 (18)	0.00276 (19)	0.00333 (17)
F21	0.0188 (13)	0.0342 (15)	0.0464 (18)	0.0008 (11)	0.0027 (12)	0.0167 (14)
F13	0.0352 (15)	0.0216 (13)	0.0429 (18)	0.0083 (11)	0.0209 (13)	0.0048 (12)
F23	0.0284 (14)	0.0391 (16)	0.0215 (14)	0.0037 (12)	0.0046 (11)	−0.0073 (12)
F16	0.0457 (18)	0.0243 (14)	0.0370 (17)	0.0067 (13)	0.0116 (14)	−0.0048 (12)
F24	0.0234 (14)	0.084 (3)	0.0337 (18)	0.0028 (16)	0.0096 (13)	0.0226 (17)
F15	0.0379 (16)	0.0344 (16)	0.0317 (16)	0.0131 (13)	−0.0044 (13)	−0.0014 (13)
F19	0.0375 (16)	0.0310 (16)	0.0461 (19)	0.0211 (13)	0.0008 (14)	−0.0011 (14)
F22	0.0273 (15)	0.0263 (15)	0.078 (3)	0.0024 (12)	−0.0137 (16)	0.0199 (16)
F14	0.078 (3)	0.0344 (17)	0.049 (2)	0.0158 (17)	0.0395 (19)	0.0197 (15)
F20	0.065 (2)	0.057 (2)	0.0195 (15)	−0.0035 (18)	−0.0066 (15)	−0.0008 (14)
N7	0.0184 (15)	0.0156 (15)	0.0169 (16)	0.0031 (12)	0.0034 (12)	0.0013 (12)
F17	0.057 (2)	0.0232 (14)	0.059 (2)	−0.0018 (14)	0.0350 (18)	0.0055 (14)
N5	0.0195 (16)	0.0171 (15)	0.0180 (16)	0.0004 (12)	0.0040 (13)	0.0043 (12)
N6	0.0187 (16)	0.0181 (16)	0.0180 (16)	0.0049 (13)	0.0036 (13)	0.0018 (13)
N8	0.0195 (16)	0.0139 (15)	0.0237 (18)	0.0016 (12)	0.0044 (13)	0.0026 (13)
F18	0.041 (2)	0.071 (3)	0.064 (3)	0.0237 (19)	−0.0188 (18)	−0.012 (2)
C39	0.0202 (19)	0.025 (2)	0.019 (2)	0.0033 (16)	0.0034 (15)	−0.0007 (16)
C26	0.0147 (17)	0.0155 (17)	0.023 (2)	0.0020 (13)	0.0037 (15)	0.0021 (14)
C23	0.030 (2)	0.020 (2)	0.031 (2)	0.0057 (17)	0.0095 (19)	0.0116 (17)
C35	0.0135 (16)	0.0165 (17)	0.0200 (19)	0.0014 (13)	0.0018 (14)	0.0037 (14)
C33	0.0183 (18)	0.022 (2)	0.028 (2)	0.0023 (15)	0.0066 (16)	0.0101 (17)
C37	0.0213 (19)	0.0141 (17)	0.023 (2)	0.0011 (14)	0.0027 (16)	0.0014 (15)
C22	0.026 (2)	0.024 (2)	0.022 (2)	0.0052 (17)	0.0053 (17)	0.0082 (16)
C31	0.0211 (19)	0.0186 (18)	0.022 (2)	0.0045 (15)	0.0045 (16)	0.0049 (15)
C34	0.0204 (19)	0.0154 (18)	0.028 (2)	0.0007 (15)	0.0048 (16)	0.0053 (16)
C27	0.020 (2)	0.027 (2)	0.027 (2)	−0.0026 (16)	0.0034 (17)	0.0016 (18)
C32	0.0207 (19)	0.023 (2)	0.025 (2)	0.0065 (16)	0.0071 (16)	0.0086 (16)
C36	0.0125 (16)	0.0164 (17)	0.0197 (19)	0.0006 (13)	0.0008 (14)	0.0032 (14)
C29	0.020 (2)	0.039 (3)	0.022 (2)	0.0058 (18)	0.0002 (17)	0.0043 (19)
C21	0.0223 (19)	0.0221 (19)	0.020 (2)	0.0009 (16)	0.0050 (16)	0.0050 (16)
C25	0.0167 (17)	0.0158 (17)	0.022 (2)	0.0039 (14)	0.0047 (15)	0.0036 (15)
C24	0.024 (2)	0.0172 (18)	0.026 (2)	−0.0018 (15)	0.0049 (17)	0.0045 (16)
C38	0.0195 (19)	0.021 (2)	0.027 (2)	0.0038 (15)	0.0021 (16)	−0.0019 (16)
C30	0.0205 (19)	0.025 (2)	0.019 (2)	0.0028 (16)	0.0031 (15)	0.0041 (16)
C40	0.026 (2)	0.0195 (19)	0.019 (2)	0.0031 (16)	0.0027 (16)	0.0043 (15)
C28	0.022 (2)	0.036 (3)	0.026 (2)	−0.0040 (18)	0.0003 (18)	0.0021 (19)

Geometric parameters (Å, º) top

Ta2—F9	1.902 (3)	Ta3—F13	1.910 (3)
Ta2—F8	1.893 (2)	Ta3—F16	1.889 (3)
Ta2—F12	1.894 (3)	Ta3—F15	1.887 (3)
Ta2—F11	1.896 (2)	Ta3—F14	1.870 (3)
Ta2—F7	1.897 (3)	Ta3—F17	1.912 (3)
Ta2—F10	1.898 (3)	Ta3—F18	1.886 (3)
Ta1—F5	1.899 (3)	Ta4—F21	1.883 (3)
Ta1—F3	1.894 (3)	Ta4—F23	1.901 (3)
Ta1—F4	1.888 (3)	Ta4—F24	1.896 (3)
Ta1—F2	1.892 (3)	Ta4—F19	1.903 (3)
Ta1—F6	1.893 (3)	Ta4—F22	1.895 (3)
Ta1—F1	1.913 (3)	Ta4—F20	1.889 (3)
Cu1—F7	2.987 (3)	Cu2—F13	2.706 (3)
Cu1—F1	2.537 (3)	Cu2—F19	2.775 (3)
Cu1—N3	1.982 (3)	Cu2—N7	1.968 (3)
Cu1—N1	1.972 (3)	Cu2—N5	1.960 (3)
Cu1—N4	1.964 (3)	Cu2—N6	2.005 (4)
Cu1—N2	1.977 (3)	Cu2—N8	2.006 (4)
N3—C11	1.347 (5)	N7—C35	1.356 (5)
N3—C15	1.348 (5)	N7—C31	1.342 (5)
N1—C5	1.354 (5)	N5—C21	1.335 (6)
N1—C1	1.344 (5)	N5—C25	1.351 (5)
N4—C20	1.332 (5)	N6—C26	1.356 (5)
N4—C16	1.353 (5)	N6—C30	1.346 (6)
N2—C6	1.362 (5)	N8—C36	1.356 (5)
N2—C10	1.337 (5)	N8—C40	1.335 (6)
C2—H2	0.9500	C39—H39	0.9500
C2—C3	1.382 (6)	C39—C38	1.383 (6)
C2—C1	1.390 (6)	C39—C40	1.386 (6)
C20—H20	0.9500	C26—C27	1.379 (6)
C20—C19	1.392 (6)	C26—C25	1.481 (6)
C17—H17	0.9500	C23—H23	0.9500
C17—C16	1.385 (6)	C23—C22	1.389 (7)
C17—C18	1.390 (6)	C23—C24	1.388 (7)
C5—C6	1.475 (6)	C35—C34	1.382 (6)
C5—C4	1.387 (5)	C35—C36	1.474 (6)
C7—H7	0.9500	C33—H33	0.9500
C7—C6	1.388 (5)	C33—C34	1.380 (6)
C7—C8	1.389 (6)	C33—C32	1.385 (6)
C11—H11	0.9500	C37—H37	0.9500
C11—C12	1.388 (6)	C37—C36	1.390 (6)
C12—H12	0.9500	C37—C38	1.389 (6)
C12—C13	1.383 (6)	C22—H22	0.9500
C15—C16	1.468 (6)	C22—C21	1.385 (6)
C15—C14	1.395 (6)	C31—H31	0.9500
C8—H8	0.9500	C31—C32	1.385 (6)
C8—C9	1.390 (6)	C34—H34	0.9500
C19—H19	0.9500	C27—H27	0.9500
C19—C18	1.375 (6)	C27—C28	1.384 (7)
C9—H9	0.9500	C32—H32	0.9500
C9—C10	1.382 (6)	C29—H29	0.9500
C3—H3	0.9500	C29—C30	1.380 (6)
C3—C4	1.394 (6)	C29—C28	1.383 (7)
C1—H1	0.9500	C21—H21	0.9500
C14—H14	0.9500	C25—C24	1.381 (6)
C14—C13	1.389 (6)	C24—H24	0.9500
C4—H4	0.9500	C38—H38	0.9500
C18—H18	0.9500	C30—H30	0.9500
C10—H10	0.9500	C40—H40	0.9500
C13—H13	0.9500	C28—H28	0.9500

F8—Ta2—F9	92.66 (12)	F13—Ta3—F17	89.01 (13)
F8—Ta2—F12	89.58 (12)	F16—Ta3—F13	177.92 (14)
F8—Ta2—F11	177.33 (12)	F16—Ta3—F17	90.17 (14)
F8—Ta2—F7	87.35 (12)	F15—Ta3—F13	91.30 (13)
F8—Ta2—F10	88.94 (12)	F15—Ta3—F16	90.58 (14)
F12—Ta2—F9	176.38 (11)	F15—Ta3—F17	87.30 (16)
F12—Ta2—F11	88.98 (12)	F14—Ta3—F13	90.20 (13)
F12—Ta2—F7	92.89 (12)	F14—Ta3—F16	90.66 (14)
F12—Ta2—F10	88.43 (11)	F14—Ta3—F15	91.22 (17)
F11—Ta2—F9	88.88 (11)	F14—Ta3—F17	178.31 (17)
F11—Ta2—F7	90.47 (12)	F14—Ta3—F18	91.3 (2)
F11—Ta2—F10	93.28 (12)	F18—Ta3—F13	87.43 (16)
F7—Ta2—F9	90.05 (12)	F18—Ta3—F16	90.66 (16)
F7—Ta2—F10	176.05 (12)	F18—Ta3—F15	177.17 (18)
F10—Ta2—F9	88.78 (12)	F18—Ta3—F17	90.2 (2)
F5—Ta1—F1	87.61 (12)	F21—Ta4—F23	90.32 (13)
F3—Ta1—F5	89.44 (12)	F21—Ta4—F24	177.79 (14)
F3—Ta1—F1	89.06 (11)	F21—Ta4—F19	90.96 (14)
F4—Ta1—F5	92.10 (13)	F21—Ta4—F22	89.84 (14)
F4—Ta1—F3	90.64 (12)	F21—Ta4—F20	92.80 (16)
F4—Ta1—F2	91.12 (14)	F23—Ta4—F19	89.22 (14)
F4—Ta1—F6	90.26 (12)	F24—Ta4—F23	87.48 (14)
F4—Ta1—F1	179.59 (13)	F24—Ta4—F19	88.86 (16)
F2—Ta1—F5	176.73 (13)	F22—Ta4—F23	89.03 (15)
F2—Ta1—F3	91.08 (13)	F22—Ta4—F24	90.27 (16)
F2—Ta1—F6	89.72 (13)	F22—Ta4—F19	178.08 (14)
F2—Ta1—F1	89.17 (13)	F20—Ta4—F23	176.84 (15)
F6—Ta1—F5	89.71 (12)	F20—Ta4—F24	89.40 (16)
F6—Ta1—F3	178.79 (12)	F20—Ta4—F19	91.22 (16)
F6—Ta1—F1	90.04 (12)	F20—Ta4—F22	90.48 (17)
F1—Cu1—F7	161.46 (9)	F13—Cu2—F19	168.21 (10)
N3—Cu1—F7	83.17 (11)	N7—Cu2—F13	83.91 (12)
N3—Cu1—F1	81.03 (12)	N7—Cu2—F19	103.51 (12)
N1—Cu1—F7	118.40 (11)	N7—Cu2—N6	103.87 (14)
N1—Cu1—F1	78.18 (12)	N7—Cu2—N8	82.29 (14)
N1—Cu1—N3	158.21 (14)	N5—Cu2—F13	77.43 (12)
N1—Cu1—N2	83.13 (14)	N5—Cu2—F19	95.18 (13)
N4—Cu1—F7	70.99 (11)	N5—Cu2—N7	161.27 (15)
N4—Cu1—F1	116.26 (12)	N5—Cu2—N6	82.25 (15)
N4—Cu1—N3	82.84 (14)	N5—Cu2—N8	101.20 (15)
N4—Cu1—N1	100.59 (14)	N6—Cu2—F13	113.10 (12)
N4—Cu1—N2	150.27 (14)	N6—Cu2—F19	74.40 (12)
N2—Cu1—F7	81.24 (11)	N6—Cu2—N8	150.51 (14)
N2—Cu1—F1	93.43 (12)	N8—Cu2—F13	96.12 (12)
N2—Cu1—N3	104.65 (14)	N8—Cu2—F19	76.12 (12)
Ta2—F7—Cu1	114.17 (12)	Ta3—F13—Cu2	122.63 (14)
Ta1—F1—Cu1	125.65 (14)	Ta4—F19—Cu2	135.07 (17)
C11—N3—Cu1	126.4 (3)	C35—N7—Cu2	114.6 (3)
C11—N3—C15	119.5 (3)	C31—N7—Cu2	125.9 (3)
C15—N3—Cu1	112.8 (3)	C31—N7—C35	119.4 (4)
C5—N1—Cu1	113.7 (3)	C21—N5—Cu2	125.5 (3)
C1—N1—Cu1	126.0 (3)	C21—N5—C25	119.5 (4)
C1—N1—C5	119.8 (3)	C25—N5—Cu2	115.0 (3)
C20—N4—Cu1	125.2 (3)	C26—N6—Cu2	113.1 (3)
C20—N4—C16	119.9 (3)	C30—N6—Cu2	127.7 (3)
C16—N4—Cu1	113.6 (3)	C30—N6—C26	118.8 (4)
C6—N2—Cu1	112.9 (3)	C36—N8—Cu2	112.8 (3)
C10—N2—Cu1	126.5 (3)	C40—N8—Cu2	127.0 (3)
C10—N2—C6	119.5 (3)	C40—N8—C36	118.9 (4)
C3—C2—H2	120.5	C38—C39—H39	120.6
C3—C2—C1	118.9 (4)	C38—C39—C40	118.9 (4)
C1—C2—H2	120.5	C40—C39—H39	120.6
N4—C20—H20	118.9	N6—C26—C27	121.6 (4)
N4—C20—C19	122.2 (4)	N6—C26—C25	114.7 (3)
C19—C20—H20	118.9	C27—C26—C25	123.7 (4)
C16—C17—H17	120.4	C22—C23—H23	120.3
C16—C17—C18	119.3 (4)	C24—C23—H23	120.3
C18—C17—H17	120.4	C24—C23—C22	119.4 (4)
N1—C5—C6	114.6 (3)	N7—C35—C34	120.8 (4)
N1—C5—C4	121.3 (4)	N7—C35—C36	114.5 (3)
C4—C5—C6	124.1 (4)	C34—C35—C36	124.7 (4)
C6—C7—H7	120.7	C34—C33—H33	120.4
C6—C7—C8	118.5 (4)	C34—C33—C32	119.2 (4)
C8—C7—H7	120.7	C32—C33—H33	120.4
N2—C6—C5	114.9 (3)	C36—C37—H37	120.5
N2—C6—C7	121.4 (4)	C38—C37—H37	120.5
C7—C6—C5	123.7 (4)	C38—C37—C36	118.9 (4)
N3—C11—H11	118.9	C23—C22—H22	120.7
N3—C11—C12	122.3 (4)	C21—C22—C23	118.6 (4)
C12—C11—H11	118.9	C21—C22—H22	120.7
C11—C12—H12	120.8	N7—C31—H31	119.0
C13—C12—C11	118.4 (4)	N7—C31—C32	121.9 (4)
C13—C12—H12	120.8	C32—C31—H31	119.0
N3—C15—C16	114.7 (3)	C35—C34—H34	120.1
N3—C15—C14	121.0 (4)	C33—C34—C35	119.8 (4)
C14—C15—C16	124.3 (4)	C33—C34—H34	120.1
C7—C8—H8	120.1	C26—C27—H27	120.3
C7—C8—C9	119.9 (4)	C26—C27—C28	119.5 (4)
C9—C8—H8	120.1	C28—C27—H27	120.3
C20—C19—H19	120.8	C33—C32—H32	120.6
C18—C19—C20	118.4 (4)	C31—C32—C33	118.7 (4)
C18—C19—H19	120.8	C31—C32—H32	120.6
C8—C9—H9	120.8	N8—C36—C35	115.0 (3)
C10—C9—C8	118.5 (4)	N8—C36—C37	121.6 (4)
C10—C9—H9	120.8	C37—C36—C35	123.3 (4)
C2—C3—H3	120.2	C30—C29—H29	120.2
C2—C3—C4	119.5 (4)	C30—C29—C28	119.5 (4)
C4—C3—H3	120.2	C28—C29—H29	120.2
N4—C16—C17	120.7 (4)	N5—C21—C22	122.0 (4)
N4—C16—C15	114.5 (3)	N5—C21—H21	119.0
C17—C16—C15	124.7 (4)	C22—C21—H21	119.0
N1—C1—C2	121.6 (4)	N5—C25—C26	114.5 (3)
N1—C1—H1	119.2	N5—C25—C24	121.7 (4)
C2—C1—H1	119.2	C24—C25—C26	123.8 (4)
C15—C14—H14	120.4	C23—C24—H24	120.6
C13—C14—C15	119.1 (4)	C25—C24—C23	118.7 (4)
C13—C14—H14	120.4	C25—C24—H24	120.6
C5—C4—C3	118.9 (4)	C39—C38—C37	119.2 (4)
C5—C4—H4	120.6	C39—C38—H38	120.4
C3—C4—H4	120.6	C37—C38—H38	120.4
C17—C18—H18	120.2	N6—C30—C29	121.8 (4)
C19—C18—C17	119.6 (4)	N6—C30—H30	119.1
C19—C18—H18	120.2	C29—C30—H30	119.1
N2—C10—C9	122.3 (4)	N8—C40—C39	122.5 (4)
N2—C10—H10	118.9	N8—C40—H40	118.8
C9—C10—H10	118.9	C39—C40—H40	118.8
C12—C13—C14	119.7 (4)	C27—C28—H28	120.6
C12—C13—H13	120.2	C29—C28—C27	118.8 (4)
C14—C13—H13	120.2	C29—C28—H28	120.6

Tris(2,2'-bipyridine-κ²N,N')copper(II) bis[hexafluoridotantalate(V)] (III) top

Crystal data top

[Cu(C₁₀H₈N₂)₃][TaF₆]₂	D_x = 2.220 Mg m⁻³
M_r = 1121.99	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3₂	Cell parameters from 9702 reflections
a = 10.5172 (10) Å	θ = 2.2–32.5°
c = 26.288 (2) Å	µ = 7.23 mm⁻¹
V = 2518.2 (5) Å³	T = 100 K
Z = 3	Block, blue
F(000) = 1587	0.22 × 0.16 × 0.12 mm

Data collection top

Bruker Kappa APEX CCD area detector diffractometer	12260 independent reflections
Radiation source: sealed tube	12121 reflections with I > 2σ(I)
Triumph monochromator	R_int = 0.050
Detector resolution: 8 pixels mm^-1	θ_max = 32.7°, θ_min = 1.6°
ω and φ scans	h = −15→15
Absorption correction: multi-scan (SADABS; Bruker, 2016)	k = −15→15
T_min = 0.559, T_max = 0.746	l = −38→39
148130 measured reflections

Refinement top

Refinement on F²	H-atom parameters constrained
Least-squares matrix: full	w = 1/[σ²(F_o²) + (0.0106P)² + 0.1438P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.016	(Δ/σ)_max = 0.002
wR(F²) = 0.031	Δρ_max = 0.96 e Å⁻³
S = 1.03	Δρ_min = −0.85 e Å⁻³
12260 reflections	Extinction correction: SHELXL-2018/3 (Sheldrick 2015b), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
462 parameters	Extinction coefficient: 0.00031 (3)
1 restraint	Absolute structure: Flack x determined using 5861 quotients [(I⁺)-(I^-)]/[(I⁺)+(I^-)] (Parsons et al., 2013)
Hydrogen site location: inferred from neighbouring sites	Absolute structure parameter: 0.5036 (7)

Special details top

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ta2	0.00684 (3)	−0.03219 (2)	0.32198 (2)	0.01774 (4)
Ta1	0.70686 (2)	1.36139 (2)	0.47151 (2)	0.01986 (4)
Cu1	0.32411 (6)	0.64362 (5)	0.57036 (2)	0.01228 (8)
F2	0.5183 (3)	1.2403 (5)	0.44310 (13)	0.0633 (12)
F4	0.7724 (4)	1.2402 (3)	0.44119 (10)	0.0408 (7)
C17	−0.0981 (5)	0.5633 (6)	0.6138 (2)	0.0188 (9)
H17	−0.153152	0.611150	0.608263	0.023*
F8	−0.1759 (3)	−0.0847 (3)	0.35333 (9)	0.0300 (6)
N4	0.1166 (4)	0.5474 (4)	0.59777 (12)	0.0126 (6)
F5	0.9006 (3)	1.4788 (3)	0.49516 (10)	0.0347 (6)
F12	0.0952 (3)	0.0141 (3)	0.38681 (9)	0.0402 (7)
F6	0.6515 (4)	1.2435 (3)	0.53047 (10)	0.0494 (9)
C16	0.0368 (5)	0.6141 (5)	0.59049 (14)	0.0130 (8)
C18	−0.1519 (4)	0.4417 (5)	0.64542 (14)	0.0220 (7)
H18	−0.243559	0.406714	0.662085	0.026*
F9	−0.0912 (3)	−0.0756 (3)	0.25849 (8)	0.0268 (5)
N3	0.2459 (3)	0.8080 (3)	0.54816 (11)	0.0142 (5)
F3	0.7575 (3)	1.4716 (3)	0.41088 (10)	0.0428 (7)
F10	−0.0341 (3)	−0.2286 (3)	0.32783 (10)	0.0295 (6)
F11	0.1857 (3)	0.0098 (3)	0.29071 (10)	0.0305 (6)
F7	0.0551 (3)	0.1672 (3)	0.31516 (9)	0.0283 (5)
F1	0.6482 (4)	1.4867 (4)	0.50135 (13)	0.0455 (8)
C15	0.1004 (4)	0.7442 (4)	0.55624 (12)	0.0138 (6)
C19	−0.0715 (5)	0.3711 (4)	0.65269 (15)	0.0194 (7)
H19	−0.107200	0.286719	0.673773	0.023*
N2	0.5147 (4)	0.7648 (4)	0.53243 (12)	0.0135 (7)
N5	0.4063 (3)	0.7268 (3)	0.64157 (10)	0.0152 (5)
C9	0.7449 (6)	0.9811 (6)	0.51576 (17)	0.0206 (10)
H9	0.823892	1.071865	0.527435	0.025*
C6	0.5147 (4)	0.7167 (4)	0.48464 (13)	0.0138 (6)
C23	0.5294 (5)	0.8446 (5)	0.73468 (18)	0.0230 (10)
H23	0.573816	0.885667	0.766493	0.028*
C24	0.5230 (4)	0.7175 (5)	0.71745 (14)	0.0216 (8)
H24	0.562435	0.670166	0.737466	0.026*
C10	0.6291 (5)	0.8936 (5)	0.54776 (16)	0.0171 (9)
H10	0.630309	0.925531	0.581658	0.021*
C22	0.4708 (5)	0.9115 (4)	0.70528 (14)	0.0216 (7)
H22	0.471689	0.997549	0.716782	0.026*
C11	0.3105 (5)	0.9276 (4)	0.51831 (14)	0.0180 (7)
H11	0.413500	0.974026	0.512970	0.022*
C21	0.4108 (4)	0.8499 (4)	0.65868 (14)	0.0191 (8)
H21	0.371299	0.895865	0.637984	0.023*
C20	0.0634 (4)	0.4284 (4)	0.62794 (13)	0.0157 (7)
H20	0.119861	0.381628	0.632587	0.019*
N1	0.2704 (3)	0.5298 (3)	0.50323 (10)	0.0130 (5)
C5	0.3856 (4)	0.5755 (4)	0.47127 (12)	0.0135 (6)
C7	0.6286 (4)	0.7992 (4)	0.45095 (14)	0.0205 (8)
H7	0.627957	0.763870	0.417631	0.025*
N6	0.3922 (4)	0.4832 (4)	0.60312 (12)	0.0180 (6)
C26	0.4437 (4)	0.5196 (4)	0.65109 (13)	0.0164 (6)
C8	0.7437 (5)	0.9345 (5)	0.46684 (15)	0.0240 (8)
H8	0.820854	0.994029	0.444011	0.029*
C13	0.0833 (4)	0.9178 (4)	0.50245 (13)	0.0196 (7)
H13	0.027481	0.954984	0.486504	0.023*
C25	0.4586 (4)	0.6591 (4)	0.67064 (13)	0.0150 (6)
C14	0.0144 (4)	0.7946 (4)	0.53329 (13)	0.0179 (7)
H14	−0.088668	0.745881	0.538648	0.022*
C12	0.2327 (4)	0.9860 (4)	0.49499 (14)	0.0185 (7)
H12	0.281469	1.071236	0.474305	0.022*
C27	0.4749 (5)	0.4294 (5)	0.68023 (15)	0.0241 (9)
H27	0.510287	0.456347	0.714018	0.029*
C2	0.1346 (5)	0.3167 (4)	0.45214 (16)	0.0225 (8)
H2	0.045309	0.228062	0.445925	0.027*
C1	0.1471 (4)	0.4030 (4)	0.49352 (14)	0.0174 (7)
H1	0.065657	0.371517	0.515813	0.021*
C30	0.3758 (4)	0.3587 (4)	0.58279 (15)	0.0201 (7)
H30	0.343309	0.335632	0.548553	0.024*
C3	0.2530 (5)	0.3601 (4)	0.41977 (15)	0.0250 (8)
H3	0.247427	0.300756	0.391649	0.030*
C4	0.3810 (5)	0.4932 (4)	0.42942 (14)	0.0218 (8)
H4	0.463614	0.526892	0.407591	0.026*
C28	0.4537 (5)	0.2983 (5)	0.65946 (16)	0.0272 (9)
H28	0.472935	0.234061	0.679147	0.033*
C29	0.4043 (5)	0.2626 (5)	0.60978 (16)	0.0234 (8)
H29	0.390410	0.174533	0.594640	0.028*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ta2	0.01698 (8)	0.01449 (10)	0.01536 (7)	0.00308 (8)	−0.00052 (7)	0.00018 (7)
Ta1	0.01754 (9)	0.01929 (10)	0.01742 (7)	0.00521 (9)	0.00037 (7)	0.00145 (8)
Cu1	0.01235 (18)	0.0136 (2)	0.0094 (2)	0.00535 (17)	0.00046 (17)	−0.00043 (14)
F2	0.0201 (13)	0.077 (3)	0.0550 (18)	−0.0039 (17)	−0.0002 (12)	−0.019 (2)
F4	0.056 (2)	0.0339 (17)	0.0316 (14)	0.0220 (16)	0.0046 (14)	−0.0086 (12)
C17	0.018 (2)	0.019 (2)	0.0220 (19)	0.0108 (17)	0.0047 (18)	−0.0006 (18)
F8	0.0297 (12)	0.0280 (14)	0.0236 (11)	0.0079 (11)	0.0091 (9)	0.0002 (10)
N4	0.0142 (14)	0.0117 (15)	0.0106 (13)	0.0056 (12)	0.0025 (10)	0.0018 (11)
F5	0.0275 (12)	0.0382 (16)	0.0390 (14)	0.0169 (13)	−0.0148 (11)	−0.0190 (13)
F12	0.0493 (17)	0.0341 (15)	0.0229 (12)	0.0100 (14)	−0.0170 (12)	−0.0010 (11)
F6	0.074 (3)	0.0418 (16)	0.0303 (13)	0.0279 (18)	0.0220 (15)	0.0169 (12)
C16	0.0189 (19)	0.0114 (16)	0.0080 (16)	0.0071 (15)	0.0001 (13)	0.0001 (13)
C18	0.0182 (16)	0.0188 (18)	0.0262 (18)	0.0071 (16)	0.0076 (14)	0.0031 (16)
F9	0.0312 (12)	0.0345 (13)	0.0178 (10)	0.0188 (11)	−0.0044 (9)	−0.0056 (10)
N3	0.0130 (13)	0.0128 (14)	0.0144 (13)	0.0045 (11)	−0.0013 (11)	−0.0010 (11)
F3	0.0340 (17)	0.0616 (19)	0.0311 (13)	0.0226 (15)	0.0034 (13)	0.0225 (13)
F10	0.0232 (13)	0.0193 (11)	0.0406 (14)	0.0065 (10)	0.0020 (11)	0.0039 (11)
F11	0.0199 (12)	0.0248 (13)	0.0441 (15)	0.0091 (10)	0.0035 (11)	0.0046 (12)
F7	0.0343 (15)	0.0190 (11)	0.0296 (12)	0.0117 (11)	0.0006 (11)	−0.0009 (9)
F1	0.0452 (19)	0.052 (2)	0.0562 (18)	0.0374 (18)	0.0084 (15)	0.0021 (16)
C15	0.0157 (15)	0.0154 (15)	0.0112 (15)	0.0085 (13)	0.0001 (12)	−0.0002 (12)
C19	0.0216 (18)	0.0149 (16)	0.0203 (18)	0.0081 (15)	0.0078 (15)	0.0069 (14)
N2	0.0127 (14)	0.0116 (14)	0.0140 (14)	0.0045 (12)	−0.0019 (10)	−0.0008 (12)
N5	0.0169 (12)	0.0146 (13)	0.0135 (12)	0.0073 (11)	0.0019 (10)	0.0012 (10)
C9	0.017 (2)	0.018 (2)	0.022 (2)	0.0049 (17)	−0.0038 (17)	−0.0039 (18)
C6	0.0152 (14)	0.0142 (16)	0.0128 (14)	0.0079 (13)	0.0014 (11)	−0.0009 (13)
C23	0.026 (2)	0.025 (2)	0.0129 (19)	0.0091 (16)	−0.0027 (17)	−0.0043 (18)
C24	0.0247 (18)	0.025 (2)	0.0124 (16)	0.0105 (16)	−0.0056 (14)	−0.0019 (14)
C10	0.0132 (17)	0.020 (2)	0.0144 (18)	0.0050 (15)	−0.0033 (14)	−0.0005 (15)
C22	0.0217 (19)	0.0186 (15)	0.0183 (16)	0.0054 (16)	−0.0012 (16)	−0.0064 (13)
C11	0.0213 (18)	0.0138 (16)	0.0163 (18)	0.0070 (14)	0.0013 (14)	−0.0006 (13)
C21	0.025 (2)	0.0173 (15)	0.0147 (15)	0.0105 (15)	0.0009 (14)	−0.0006 (12)
C20	0.0182 (17)	0.0139 (15)	0.0159 (16)	0.0087 (14)	0.0017 (13)	0.0016 (13)
N1	0.0131 (13)	0.0134 (12)	0.0130 (12)	0.0069 (11)	−0.0012 (11)	−0.0007 (9)
C5	0.0149 (16)	0.0146 (16)	0.0107 (13)	0.0071 (12)	−0.0003 (12)	−0.0007 (12)
C7	0.0176 (16)	0.0226 (19)	0.0143 (16)	0.0047 (15)	0.0020 (13)	−0.0016 (14)
N6	0.0201 (16)	0.0217 (15)	0.0157 (14)	0.0129 (13)	0.0011 (12)	−0.0002 (12)
C26	0.0128 (16)	0.0210 (19)	0.0147 (15)	0.0078 (14)	0.0021 (14)	0.0025 (14)
C8	0.0173 (18)	0.023 (2)	0.0217 (19)	0.0022 (16)	0.0042 (14)	0.0046 (16)
C13	0.027 (2)	0.0222 (18)	0.0170 (15)	0.0175 (16)	0.0036 (14)	0.0070 (14)
C25	0.0143 (15)	0.0166 (16)	0.0115 (14)	0.0056 (13)	−0.0006 (12)	0.0000 (12)
C14	0.0193 (17)	0.0213 (18)	0.0181 (17)	0.0137 (15)	0.0038 (14)	0.0025 (14)
C12	0.0248 (19)	0.0169 (17)	0.0134 (17)	0.0102 (15)	0.0014 (15)	0.0042 (14)
C27	0.032 (2)	0.033 (2)	0.0150 (17)	0.022 (2)	−0.0067 (16)	−0.0010 (16)
C2	0.0179 (18)	0.0167 (16)	0.0276 (19)	0.0048 (16)	−0.0019 (16)	−0.0068 (14)
C1	0.0173 (17)	0.0141 (15)	0.0170 (16)	0.0050 (13)	0.0002 (14)	−0.0006 (13)
C30	0.0221 (18)	0.0204 (18)	0.0195 (17)	0.0118 (15)	−0.0023 (15)	−0.0033 (15)
C3	0.030 (2)	0.0204 (18)	0.0198 (18)	0.0088 (17)	−0.0024 (17)	−0.0088 (15)
C4	0.0222 (19)	0.0203 (18)	0.0161 (16)	0.0055 (15)	0.0037 (15)	−0.0032 (14)
C28	0.036 (2)	0.033 (2)	0.0241 (19)	0.025 (2)	−0.0039 (18)	0.0042 (18)
C29	0.027 (2)	0.0218 (19)	0.028 (2)	0.0166 (17)	0.0006 (16)	−0.0019 (16)

Geometric parameters (Å, º) top

Ta2—F8	1.901 (2)	C23—C24	1.381 (7)
Ta2—F12	1.885 (2)	C23—C22	1.381 (6)
Ta2—F9	1.894 (2)	C24—H24	0.9500
Ta2—F10	1.893 (3)	C24—C25	1.391 (5)
Ta2—F11	1.892 (3)	C10—H10	0.9500
Ta2—F7	1.903 (2)	C22—H22	0.9500
Ta1—F2	1.894 (3)	C22—C21	1.382 (5)
Ta1—F4	1.901 (3)	C11—H11	0.9500
Ta1—F5	1.883 (2)	C11—C12	1.388 (5)
Ta1—F6	1.886 (3)	C21—H21	0.9500
Ta1—F3	1.884 (2)	C20—H20	0.9500
Ta1—F1	1.883 (3)	N1—C5	1.350 (4)
Cu1—N4	2.024 (3)	N1—C1	1.341 (5)
Cu1—N3	2.330 (3)	C5—C4	1.385 (5)
Cu1—N2	2.020 (3)	C7—H7	0.9500
Cu1—N5	2.064 (3)	C7—C8	1.394 (5)
Cu1—N1	2.047 (3)	N6—C26	1.350 (5)
Cu1—N6	2.305 (3)	N6—C30	1.343 (5)
C17—H17	0.9500	C26—C25	1.487 (5)
C17—C16	1.384 (6)	C26—C27	1.380 (5)
C17—C18	1.386 (6)	C8—H8	0.9500
N4—C16	1.350 (6)	C13—H13	0.9500
N4—C20	1.344 (5)	C13—C14	1.386 (5)
C16—C15	1.488 (5)	C13—C12	1.377 (5)
C18—H18	0.9500	C14—H14	0.9500
C18—C19	1.389 (6)	C12—H12	0.9500
N3—C15	1.346 (5)	C27—H27	0.9500
N3—C11	1.343 (5)	C27—C28	1.393 (6)
C15—C14	1.393 (5)	C2—H2	0.9500
C19—H19	0.9500	C2—C1	1.380 (5)
C19—C20	1.394 (5)	C2—C3	1.384 (6)
N2—C6	1.354 (5)	C1—H1	0.9500
N2—C10	1.348 (6)	C30—H30	0.9500
N5—C21	1.349 (4)	C30—C29	1.385 (5)
N5—C25	1.336 (4)	C3—H3	0.9500
C9—H9	0.9500	C3—C4	1.397 (6)
C9—C10	1.384 (7)	C4—H4	0.9500
C9—C8	1.374 (6)	C28—H28	0.9500
C6—C5	1.469 (5)	C28—C29	1.386 (6)
C6—C7	1.390 (5)	C29—H29	0.9500
C23—H23	0.9500

F8—Ta2—F7	92.03 (12)	C7—C6—C5	123.4 (3)
F12—Ta2—F8	88.82 (12)	C24—C23—H23	120.3
F12—Ta2—F9	176.22 (13)	C22—C23—H23	120.3
F12—Ta2—F10	91.26 (13)	C22—C23—C24	119.5 (4)
F12—Ta2—F11	91.61 (13)	C23—C24—H24	120.2
F12—Ta2—F7	88.58 (12)	C23—C24—C25	119.7 (4)
F9—Ta2—F8	87.85 (10)	C25—C24—H24	120.2
F9—Ta2—F7	89.75 (11)	N2—C10—C9	122.2 (4)
F10—Ta2—F8	90.12 (12)	N2—C10—H10	118.9
F10—Ta2—F9	90.53 (11)	C9—C10—H10	118.9
F10—Ta2—F7	177.84 (12)	C23—C22—H22	120.9
F11—Ta2—F8	177.08 (12)	C23—C22—C21	118.2 (4)
F11—Ta2—F9	91.81 (11)	C21—C22—H22	120.9
F11—Ta2—F10	86.98 (12)	N3—C11—H11	118.7
F11—Ta2—F7	90.87 (12)	N3—C11—C12	122.6 (4)
F2—Ta1—F4	89.58 (16)	C12—C11—H11	118.7
F5—Ta1—F2	175.49 (14)	N5—C21—C22	122.2 (4)
F5—Ta1—F4	86.68 (13)	N5—C21—H21	118.9
F5—Ta1—F6	92.12 (14)	C22—C21—H21	118.9
F5—Ta1—F3	89.74 (13)	N4—C20—C19	122.5 (4)
F6—Ta1—F2	90.39 (16)	N4—C20—H20	118.7
F6—Ta1—F4	90.02 (13)	C19—C20—H20	118.7
F3—Ta1—F2	87.64 (16)	C5—N1—Cu1	113.1 (2)
F3—Ta1—F4	88.41 (14)	C1—N1—Cu1	126.3 (2)
F3—Ta1—F6	177.48 (15)	C1—N1—C5	119.0 (3)
F1—Ta1—F2	92.03 (18)	N1—C5—C6	115.0 (3)
F1—Ta1—F4	178.14 (16)	N1—C5—C4	121.8 (3)
F1—Ta1—F5	91.67 (14)	C4—C5—C6	123.2 (3)
F1—Ta1—F6	90.91 (14)	C6—C7—H7	120.5
F1—Ta1—F3	90.72 (14)	C6—C7—C8	118.9 (3)
N4—Cu1—N3	76.58 (13)	C8—C7—H7	120.5
N4—Cu1—N5	90.44 (12)	C26—N6—Cu1	111.6 (2)
N4—Cu1—N1	95.81 (13)	C30—N6—Cu1	129.0 (3)
N4—Cu1—N6	98.80 (14)	C30—N6—C26	119.1 (3)
N2—Cu1—N4	166.58 (14)	N6—C26—C25	115.6 (3)
N2—Cu1—N3	90.89 (13)	N6—C26—C27	121.5 (4)
N2—Cu1—N5	96.14 (12)	C27—C26—C25	122.8 (3)
N2—Cu1—N1	80.79 (13)	C9—C8—C7	119.5 (4)
N2—Cu1—N6	94.16 (13)	C9—C8—H8	120.2
N5—Cu1—N3	98.11 (11)	C7—C8—H8	120.2
N5—Cu1—N6	75.75 (12)	C14—C13—H13	120.1
N1—Cu1—N3	96.98 (11)	C12—C13—H13	120.1
N1—Cu1—N5	164.65 (12)	C12—C13—C14	119.8 (3)
N1—Cu1—N6	89.41 (11)	N5—C25—C24	120.7 (4)
N6—Cu1—N3	172.42 (10)	N5—C25—C26	117.4 (3)
C16—C17—H17	120.4	C24—C25—C26	121.9 (3)
C16—C17—C18	119.3 (5)	C15—C14—H14	120.9
C18—C17—H17	120.4	C13—C14—C15	118.3 (4)
C16—N4—Cu1	119.0 (3)	C13—C14—H14	120.9
C20—N4—Cu1	121.2 (3)	C11—C12—H12	120.7
C20—N4—C16	119.3 (3)	C13—C12—C11	118.6 (3)
C17—C16—C15	121.7 (4)	C13—C12—H12	120.7
N4—C16—C17	121.3 (4)	C26—C27—H27	120.4
N4—C16—C15	117.0 (4)	C26—C27—C28	119.1 (4)
C17—C18—H18	120.0	C28—C27—H27	120.4
C17—C18—C19	119.9 (4)	C1—C2—H2	120.2
C19—C18—H18	120.0	C1—C2—C3	119.6 (4)
C15—N3—Cu1	109.0 (2)	C3—C2—H2	120.2
C11—N3—Cu1	129.8 (3)	N1—C1—C2	122.0 (4)
C11—N3—C15	118.4 (3)	N1—C1—H1	119.0
N3—C15—C16	115.5 (3)	C2—C1—H1	119.0
N3—C15—C14	122.3 (3)	N6—C30—H30	118.7
C14—C15—C16	122.2 (4)	N6—C30—C29	122.6 (4)
C18—C19—H19	121.2	C29—C30—H30	118.7
C18—C19—C20	117.7 (3)	C2—C3—H3	120.8
C20—C19—H19	121.2	C2—C3—C4	118.4 (4)
C6—N2—Cu1	114.0 (3)	C4—C3—H3	120.8
C10—N2—Cu1	126.3 (3)	C5—C4—C3	119.1 (4)
C10—N2—C6	119.1 (3)	C5—C4—H4	120.5
C21—N5—Cu1	121.0 (2)	C3—C4—H4	120.5
C25—N5—Cu1	119.3 (2)	C27—C28—H28	120.3
C25—N5—C21	119.7 (3)	C29—C28—C27	119.4 (4)
C10—C9—H9	120.5	C29—C28—H28	120.3
C8—C9—H9	120.5	C30—C29—C28	118.3 (4)
C8—C9—C10	118.9 (5)	C30—C29—H29	120.9
N2—C6—C5	115.3 (3)	C28—C29—H29	120.9
N2—C6—C7	121.3 (3)

catena-Poly[[diaqua(2,2'-bipyridine-κ²N,N')copper(II)]-µ-fluorido-tetrafluoridotin-µ-fluorido] (IV) top

Crystal data top

[CuSnF₆(C₁₀H₈N₂)(H₂O)₂]	F(000) = 470
M_r = 488.45	D_x = 2.312 Mg m⁻³
Monoclinic, P2/n	Mo Kα radiation, λ = 0.71073 Å
a = 6.2590 (2) Å	Cell parameters from 9773 reflections
b = 9.2167 (3) Å	θ = 2.2–37.7°
c = 12.1648 (3) Å	µ = 3.37 mm⁻¹
β = 90.734 (2)°	T = 100 K
V = 701.70 (4) Å³	Block, blue
Z = 2	0.20 × 0.13 × 0.12 mm

Data collection top

Rigaku Oxford Diffraction XtaLAB Synergy, Single source at offset/far, HyPix diffractometer	3686 independent reflections
Radiation source: micro-focus sealed X-ray tube, PhotonJet (Mo) X-ray Source	3251 reflections with I > 2σ(I)
Mirror monochromator	R_int = 0.055
Detector resolution: 10.0000 pixels mm^-1	θ_max = 38.2°, θ_min = 2.2°
ω scans	h = −10→10
Absorption correction: gaussian CrysalisPro (Rigaku OD, 2020)	k = −15→15
T_min = 0.732, T_max = 1.000	l = −20→21
22131 measured reflections

Refinement top

Refinement on F²	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.029	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.067	w = 1/[σ²(F_o²) + (0.0285P)² + 0.1262P] where P = (F_o² + 2F_c²)/3
S = 1.07	(Δ/σ)_max < 0.001
3686 reflections	Δρ_max = 2.05 e Å⁻³
110 parameters	Δρ_min = −0.85 e Å⁻³
0 restraints

Special details top

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Sn1	0.500000	1.000000	0.500000	0.00931 (4)
Cu1	0.250000	0.78803 (3)	0.750000	0.00868 (5)
F1	0.42425 (17)	0.82052 (11)	0.57872 (8)	0.01353 (18)
F2	0.78470 (17)	0.92222 (12)	0.46961 (9)	0.0184 (2)
F3	0.39654 (19)	0.91649 (12)	0.36083 (8)	0.0183 (2)
O1	0.4565 (2)	0.93265 (14)	0.80535 (10)	0.0147 (2)
N1	0.0722 (2)	0.62522 (16)	0.69309 (12)	0.0136 (3)
C5	0.1508 (4)	0.49153 (18)	0.71618 (16)	0.0184 (3)
C1	−0.1085 (3)	0.6393 (3)	0.63416 (16)	0.0223 (4)
H1	−0.162552	0.733418	0.618476	0.027*
C4	0.0467 (5)	0.3679 (2)	0.6778 (2)	0.0339 (6)
H4	0.103791	0.274557	0.693689	0.041*
C2	−0.2186 (4)	0.5178 (3)	0.5954 (2)	0.0357 (6)
H2	−0.347822	0.529058	0.554473	0.043*
C3	−0.1386 (5)	0.3807 (3)	0.6169 (2)	0.0438 (8)
H3	−0.210607	0.296937	0.590073	0.053*
H1A	0.424 (6)	0.983 (3)	0.864 (3)	0.037 (9)*
H1B	0.518 (6)	0.985 (3)	0.763 (3)	0.040 (10)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sn1	0.01216 (7)	0.00790 (7)	0.00789 (6)	−0.00206 (4)	0.00114 (5)	0.00053 (4)
Cu1	0.00956 (11)	0.00682 (11)	0.00964 (11)	0.000	−0.00066 (9)	0.000
F1	0.0188 (5)	0.0100 (4)	0.0119 (4)	−0.0018 (3)	0.0028 (4)	0.0013 (3)
F2	0.0162 (5)	0.0176 (5)	0.0215 (5)	0.0034 (4)	0.0055 (4)	0.0071 (4)
F3	0.0284 (6)	0.0160 (5)	0.0103 (4)	−0.0102 (4)	−0.0013 (4)	−0.0008 (4)
O1	0.0188 (6)	0.0145 (6)	0.0110 (5)	−0.0075 (4)	0.0021 (4)	−0.0025 (4)
N1	0.0151 (6)	0.0130 (6)	0.0128 (6)	−0.0055 (5)	0.0019 (5)	−0.0024 (5)
C5	0.0299 (10)	0.0091 (7)	0.0166 (8)	−0.0056 (6)	0.0097 (7)	−0.0022 (5)
C1	0.0154 (8)	0.0346 (11)	0.0169 (8)	−0.0093 (7)	−0.0004 (6)	−0.0036 (7)
C4	0.0571 (16)	0.0153 (9)	0.0297 (11)	−0.0190 (9)	0.0126 (11)	−0.0078 (8)
C2	0.0306 (12)	0.0541 (16)	0.0223 (10)	−0.0294 (11)	0.0024 (9)	−0.0094 (10)
C3	0.0595 (18)	0.0433 (15)	0.0288 (11)	−0.0414 (14)	0.0116 (12)	−0.0150 (11)

Geometric parameters (Å, º) top

Sn1—F1	1.9723 (10)	O1—H1B	0.81 (3)
Sn1—F1ⁱ	1.9723 (10)	N1—C5	1.355 (2)
Sn1—F2	1.9603 (11)	N1—C1	1.337 (2)
Sn1—F2ⁱ	1.9603 (11)	C5—C5ⁱⁱ	1.481 (5)
Sn1—F3ⁱ	1.9621 (10)	C5—C4	1.390 (3)
Sn1—F3	1.9621 (10)	C1—H1	0.9500
Cu1—F1	2.3830 (10)	C1—C2	1.394 (3)
Cu1—F1ⁱⁱ	2.3830 (10)	C4—H4	0.9500
Cu1—O1ⁱⁱ	1.9695 (12)	C4—C3	1.374 (4)
Cu1—O1	1.9695 (12)	C2—H2	0.9500
Cu1—N1ⁱⁱ	1.9875 (14)	C2—C3	1.382 (4)
Cu1—N1	1.9875 (14)	C3—H3	0.9500
O1—H1A	0.88 (3)

F1—Sn1—F1ⁱ	180.0	N1ⁱⁱ—Cu1—F1	97.98 (5)
F2—Sn1—F1ⁱ	89.45 (4)	N1—Cu1—F1	92.92 (5)
F2ⁱ—Sn1—F1	89.45 (4)	N1—Cu1—F1ⁱⁱ	97.98 (5)
F2ⁱ—Sn1—F1ⁱ	90.55 (4)	N1ⁱⁱ—Cu1—N1	81.95 (9)
F2—Sn1—F1	90.55 (4)	Sn1—F1—Cu1	130.20 (5)
F2ⁱ—Sn1—F2	180.0	Cu1—O1—H1A	118 (2)
F2—Sn1—F3	89.12 (5)	Cu1—O1—H1B	120 (3)
F2ⁱ—Sn1—F3	90.88 (5)	H1A—O1—H1B	109 (3)
F2ⁱ—Sn1—F3ⁱ	89.12 (5)	C5—N1—Cu1	114.47 (13)
F2—Sn1—F3ⁱ	90.88 (5)	C1—N1—Cu1	125.42 (14)
F3ⁱ—Sn1—F1ⁱ	90.64 (4)	C1—N1—C5	120.09 (17)
F3ⁱ—Sn1—F1	89.36 (4)	N1—C5—C5ⁱⁱ	114.51 (11)
F3—Sn1—F1ⁱ	89.36 (4)	N1—C5—C4	120.6 (2)
F3—Sn1—F1	90.64 (4)	C4—C5—C5ⁱⁱ	124.91 (16)
F3ⁱ—Sn1—F3	180.0	N1—C1—H1	119.5
F1—Cu1—F1ⁱⁱ	165.56 (5)	N1—C1—C2	121.0 (2)
O1ⁱⁱ—Cu1—F1ⁱⁱ	84.73 (5)	C2—C1—H1	119.5
O1—Cu1—F1	84.73 (5)	C5—C4—H4	120.0
O1ⁱⁱ—Cu1—F1	85.51 (5)	C3—C4—C5	119.9 (2)
O1—Cu1—F1ⁱⁱ	85.51 (5)	C3—C4—H4	120.0
O1—Cu1—O1ⁱⁱ	94.81 (8)	C1—C2—H2	120.2
O1—Cu1—N1	172.88 (6)	C3—C2—C1	119.6 (2)
O1ⁱⁱ—Cu1—N1ⁱⁱ	172.88 (6)	C3—C2—H2	120.2
O1—Cu1—N1ⁱⁱ	91.70 (6)	C4—C3—C2	118.8 (2)
O1ⁱⁱ—Cu1—N1	91.70 (6)	C4—C3—H3	120.6
N1ⁱⁱ—Cu1—F1ⁱⁱ	92.92 (5)	C2—C3—H3	120.6

Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+1/2, y, −z+3/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···F2ⁱⁱⁱ	0.88 (3)	1.79 (3)	2.6444 (17)	165 (3)
O1—H1B···F3ⁱ	0.81 (3)	1.84 (4)	2.6293 (17)	164 (4)

Symmetry codes: (i) −x+1, −y+2, −z+1; (iii) x−1/2, −y+2, z+1/2.

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Crystal structures of three copper(II)–2,2′-bi­pyridine (bpy) compounds, [Cu(bpy)2(H2O)][SiF6]·4H2O, [Cu(bpy)2(TaF6)2] and [Cu(bpy)3][TaF6]2 and a related coordination polymer, [Cu(bpy)(H2O)2SnF6]n

Supporting information

Key indicators

checkCIF/PLATON results

Crystal structures of three copper(II)–2,2′-bipyridine (bpy) compounds, [Cu(bpy)₂(H₂O)][SiF₆]·4H₂O, [Cu(bpy)₂(TaF₆)₂] and [Cu(bpy)₃][TaF₆]₂ and a related coordination polymer, [Cu(bpy)(H₂O)₂SnF₆]_n