Monopotassium octapyridinium tris­[hexa­chloro­bismuthate(III)]

The title compound, K(C₅H₆N)₈[BiCl₆]₃, contains discrete [BiCl₆]^3- anions, and pyridinium (C₅H₆N⁺) and potassium cations. The anion exhibits a slightly distorted octahedral geometry. K is coordinated by six Cl atoms from [BiCl₆]^3- units. The protonated N atoms are involved in hydrogen bonding with Cl atoms, giving a three-dimensional structure.

Key indicators

• Single-crystal X-ray study
• T = 223 K
• Mean [sigma](C-C) = 0.013 Å
• R factor = 0.032
• wR factor = 0.078
• Data-to-parameter ratio = 25.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Bi10   -   Cl13    ..       5.97 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Bi10   -   Cl15    ..       6.93 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Bi20   -   Cl22    ..       5.30 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Bi30   -   Cl31    ..       5.38 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Bi30   -   Cl33    ..       7.43 su
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C45
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C83
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C86
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for       Bi10
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for       Bi20
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for       Bi30
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.63
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         13

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  14 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  12 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Crystal Impact, 2000); software used to prepare material for publication: SHELXTL.

Monopotassium octapyridinium tris[hexachlorobismuthate(III)]

Crystal data

K(C5H6N)6[BiCl6]3	F(000) = 3672
Mr = 1945.00	Dx = 2.017 Mg m^−3 Dm = 2.016 Mg m^−3 Dm measured by not measured
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 15911 reflections
a = 24.392 (8) Å	θ = 0.8–28.3°
b = 9.278 (3) Å	µ = 9.08 mm^−1
c = 28.403 (10) Å	T = 223 K
β = 94.979 (7)°	Prism, colorless
V = 6404 (4) Å^3	0.15 × 0.10 × 0.09 mm
Z = 4

Data collection

Bruker APEX CCD diffractometer	15911 independent reflections
Radiation source: fine-focus sealed tube	12299 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.055
ω scans	θmax = 28.3°, θmin = 0.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −32→32
Tmin = 0.350, Tmax = 0.442	k = −12→12
86329 measured reflections	l = −37→37

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.078	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ^2(Fo^2) + (0.0322P)^2 + 9.2626P] where P = (Fo^2 + 2Fc^2)/3
15911 reflections	(Δ/σ)max = 0.004
631 parameters	Δρmax = 1.35 e Å^−3
0 restraints	Δρmin = −0.72 e Å^−3

Special details

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Bi10	0.021383 (7)	0.16874 (2)	0.120575 (6)	0.02786 (5)
Bi20	0.642239 (7)	0.662901 (19)	0.203099 (6)	0.02600 (5)
Bi30	0.337804 (8)	0.73866 (2)	0.052698 (7)	0.03042 (5)
K1	0.40683 (5)	0.67850 (12)	0.18156 (4)	0.0361 (3)
Cl11	−0.04549 (6)	−0.01845 (15)	0.07368 (5)	0.0424 (3)
Cl12	−0.04555 (6)	0.38158 (16)	0.08436 (5)	0.0477 (4)
Cl13	0.08606 (6)	0.37600 (15)	0.16673 (5)	0.0427 (3)
Cl14	0.08653 (6)	−0.04884 (15)	0.15416 (5)	0.0428 (3)
Cl15	−0.04216 (6)	0.16469 (15)	0.19426 (5)	0.0404 (3)
Cl16	0.08025 (6)	0.19633 (16)	0.04438 (5)	0.0452 (3)
Cl21	0.62468 (6)	0.45241 (16)	0.26614 (5)	0.0465 (3)
Cl22	0.62392 (6)	0.90590 (16)	0.26149 (5)	0.0451 (3)
Cl23	0.65042 (6)	0.85037 (17)	0.13220 (6)	0.0508 (4)
Cl24	0.66555 (6)	0.46434 (16)	0.14392 (5)	0.0477 (4)
Cl25	0.74972 (5)	0.69622 (16)	0.23024 (6)	0.0456 (3)
Cl26	0.53200 (5)	0.66937 (16)	0.17763 (6)	0.0442 (3)
Cl31	0.40768 (6)	0.52547 (15)	0.08464 (5)	0.0441 (3)
Cl32	0.28715 (5)	0.70881 (15)	0.13454 (5)	0.0378 (3)
Cl33	0.26999 (6)	0.95653 (17)	0.02570 (5)	0.0497 (4)
Cl34	0.38672 (7)	0.76494 (19)	−0.02729 (5)	0.0543 (4)
Cl35	0.40849 (6)	0.91880 (15)	0.09911 (5)	0.0416 (3)
Cl36	0.27115 (7)	0.53133 (17)	0.00848 (6)	0.0529 (4)
N11	0.9784 (2)	0.5370 (6)	0.19748 (18)	0.0516 (13)
H11	0.9982	0.4622	0.1917	0.062*
N21	0.0787 (3)	0.8396 (7)	0.0306 (2)	0.073 (2)
H21	0.0657	0.9226	0.0208	0.088*
N31	0.2488 (3)	0.7324 (7)	0.4179 (2)	0.0679 (17)
H31	0.2739	0.7813	0.4347	0.081*
N41	0.4634 (3)	0.5225 (6)	0.3416 (2)	0.0669 (17)
H41	0.4512	0.4344	0.3420	0.080*
N51	0.2398 (3)	0.2076 (7)	0.4059 (3)	0.0722 (18)
H51	0.2718	0.2144	0.3947	0.087*
N61	0.2862 (3)	0.0693 (7)	0.1452 (2)	0.0737 (19)
H61	0.3026	−0.0098	0.1549	0.088*
N71	0.2575 (2)	0.5588 (6)	0.24140 (18)	0.0542 (14)
H71	0.2805	0.4868	0.2428	0.065*
C86	0.4123 (5)	0.4033 (8)	0.9623 (4)	0.079 (3)
H86	0.4031	0.4977	0.9524	0.095*
C12	0.9887 (3)	0.6598 (9)	0.1772 (2)	0.0602 (19)
H12	1.0173	0.6663	0.1572	0.072*
C13	0.9579 (3)	0.7773 (8)	0.1853 (2)	0.064 (2)
H13	0.9649	0.8662	0.1711	0.077*
C14	0.9168 (3)	0.7644 (7)	0.2143 (2)	0.0546 (17)
H14	0.8950	0.8448	0.2202	0.065*
C15	0.9070 (3)	0.6364 (7)	0.2347 (2)	0.0513 (16)
H15	0.8783	0.6270	0.2545	0.062*
C16	0.9392 (3)	0.5222 (7)	0.2263 (2)	0.0510 (16)
H16	0.9336	0.4330	0.2409	0.061*
C22	0.0447 (3)	0.7309 (10)	0.0320 (3)	0.069 (2)
H22	0.0072	0.7418	0.0220	0.083*
C23	0.0644 (4)	0.6041 (9)	0.0479 (3)	0.078 (2)
H23	0.0409	0.5245	0.0496	0.093*
C24	0.1176 (4)	0.5920 (10)	0.0613 (3)	0.093 (3)
H24	0.1318	0.5025	0.0720	0.111*
C25	0.1514 (3)	0.7048 (11)	0.0598 (4)	0.089 (3)
H25	0.1888	0.6960	0.0702	0.107*
C26	0.1313 (4)	0.8287 (9)	0.0434 (3)	0.078 (3)
H26	0.1547	0.9085	0.0410	0.093*
C32	0.2633 (3)	0.6333 (8)	0.3866 (3)	0.064 (2)
H32	0.3007	0.6191	0.3822	0.077*
C33	0.2250 (4)	0.5549 (8)	0.3616 (2)	0.066 (2)
H33	0.2349	0.4828	0.3407	0.080*
C34	0.1721 (4)	0.5822 (10)	0.3674 (3)	0.086 (3)
H34	0.1446	0.5312	0.3491	0.103*
C35	0.1577 (3)	0.6797 (9)	0.3981 (3)	0.077 (2)
H35	0.1203	0.6950	0.4021	0.092*
C36	0.1956 (3)	0.7550 (8)	0.4230 (3)	0.068 (2)
H36	0.1852	0.8249	0.4445	0.082*
C42	0.4950 (3)	0.5597 (8)	0.3083 (2)	0.0554 (17)
H42	0.5031	0.4925	0.2852	0.066*
C43	0.5153 (3)	0.6923 (9)	0.3075 (3)	0.064 (2)
H43	0.5383	0.7201	0.2841	0.077*
C44	0.5021 (4)	0.7874 (8)	0.3415 (3)	0.093 (3)
H44	0.5161	0.8818	0.3421	0.112*
C45	0.4680 (5)	0.7433 (10)	0.3750 (4)	0.110 (4)
H45	0.4582	0.8078	0.3983	0.131*
C46	0.4496 (4)	0.6110 (10)	0.3739 (3)	0.089 (3)
H46	0.4263	0.5799	0.3966	0.107*
C52	0.2314 (3)	0.2791 (8)	0.4438 (3)	0.067 (2)
H52	0.2597	0.3373	0.4580	0.081*
C53	0.1844 (4)	0.2720 (8)	0.4626 (3)	0.076 (3)
H53	0.1789	0.3226	0.4905	0.092*
C54	0.1421 (3)	0.1858 (9)	0.4398 (3)	0.076 (3)
H54	0.1073	0.1780	0.4515	0.091*
C55	0.1543 (3)	0.1140 (8)	0.3996 (3)	0.0637 (19)
H55	0.1277	0.0552	0.3832	0.076*
C56	0.2033 (3)	0.1276 (9)	0.3841 (3)	0.067 (2)
H56	0.2116	0.0780	0.3567	0.081*
C62	0.3160 (3)	0.1823 (11)	0.1366 (3)	0.074 (2)
H62	0.3546	0.1776	0.1411	0.088*
C63	0.2916 (4)	0.3022 (9)	0.1215 (3)	0.081 (3)
H63	0.3123	0.3838	0.1147	0.097*
C64	0.2374 (5)	0.3055 (10)	0.1162 (4)	0.095 (3)
H64	0.2196	0.3914	0.1062	0.114*
C65	0.2071 (3)	0.1894 (12)	0.1249 (3)	0.085 (3)
H65	0.1685	0.1924	0.1204	0.102*
C66	0.2326 (4)	0.0721 (9)	0.1397 (3)	0.074 (2)
H66	0.2123	−0.0103	0.1464	0.089*
C72	0.2748 (3)	0.6849 (8)	0.2579 (2)	0.0529 (17)
H72	0.3115	0.6955	0.2706	0.063*
C73	0.2410 (3)	0.7975 (7)	0.2568 (3)	0.0583 (18)
H73	0.2531	0.8872	0.2691	0.070*
C74	0.1886 (3)	0.7803 (8)	0.2376 (3)	0.065 (2)
H74	0.1641	0.8585	0.2358	0.078*
C75	0.1717 (3)	0.6468 (9)	0.2206 (3)	0.069 (2)
H75	0.1353	0.6336	0.2075	0.083*
C76	0.2066 (3)	0.5372 (7)	0.2228 (2)	0.0568 (17)
H76	0.1954	0.4458	0.2114	0.068*
N81	0.3797 (3)	0.3365 (12)	0.9849 (3)	0.102 (3)
H81	0.3489	0.3767	0.9911	0.122*
C82	0.3909 (5)	0.2063 (15)	0.9997 (3)	0.101 (4)
H82	0.3663	0.1573	1.0177	0.121*
C83	0.4352 (6)	0.1445 (11)	0.9897 (5)	0.123 (5)
H83	0.4424	0.0490	0.9995	0.147*
C84	0.4720 (4)	0.2156 (15)	0.9652 (5)	0.110 (4)
H84	0.5052	0.1725	0.9583	0.132*
C85	0.4591 (5)	0.3491 (13)	0.9513 (3)	0.094 (4)
H85	0.4830	0.4032	0.9339	0.113*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Bi10	0.02753 (9)	0.02566 (10)	0.03052 (10)	−0.00004 (7)	0.00318 (7)	−0.00054 (8)
Bi20	0.02383 (9)	0.02409 (9)	0.03063 (10)	0.00120 (7)	0.00551 (7)	0.00015 (7)
Bi30	0.03141 (10)	0.02971 (10)	0.03067 (10)	0.00156 (8)	0.00567 (7)	0.00320 (8)
K1	0.0356 (6)	0.0340 (6)	0.0393 (6)	0.0042 (5)	0.0064 (5)	0.0019 (5)
Cl11	0.0434 (8)	0.0381 (7)	0.0448 (8)	−0.0047 (6)	−0.0017 (6)	−0.0066 (6)
Cl12	0.0489 (8)	0.0423 (8)	0.0524 (9)	0.0147 (7)	0.0068 (7)	0.0085 (7)
Cl13	0.0379 (7)	0.0409 (8)	0.0496 (8)	−0.0074 (6)	0.0047 (6)	−0.0078 (6)
Cl14	0.0440 (8)	0.0391 (8)	0.0452 (8)	0.0114 (6)	0.0032 (6)	0.0049 (6)
Cl15	0.0440 (7)	0.0411 (8)	0.0372 (7)	0.0009 (6)	0.0093 (6)	0.0000 (6)
Cl16	0.0532 (9)	0.0426 (8)	0.0421 (8)	0.0001 (7)	0.0167 (7)	0.0008 (6)
Cl21	0.0505 (8)	0.0427 (8)	0.0481 (8)	0.0043 (7)	0.0145 (7)	0.0150 (6)
Cl22	0.0390 (7)	0.0421 (8)	0.0550 (9)	−0.0004 (6)	0.0090 (6)	−0.0168 (7)
Cl23	0.0440 (8)	0.0492 (9)	0.0621 (10)	0.0099 (7)	0.0200 (7)	0.0260 (7)
Cl24	0.0538 (9)	0.0437 (8)	0.0465 (8)	0.0066 (7)	0.0087 (7)	−0.0151 (7)
Cl25	0.0283 (6)	0.0462 (8)	0.0615 (9)	−0.0001 (6)	−0.0005 (6)	−0.0087 (7)
Cl26	0.0280 (6)	0.0455 (8)	0.0587 (9)	−0.0004 (6)	0.0006 (6)	0.0013 (7)
Cl31	0.0484 (8)	0.0390 (8)	0.0446 (8)	0.0123 (6)	0.0031 (6)	−0.0027 (6)
Cl32	0.0360 (7)	0.0415 (7)	0.0371 (7)	0.0005 (6)	0.0107 (6)	0.0046 (6)
Cl33	0.0501 (9)	0.0467 (9)	0.0518 (9)	0.0113 (7)	0.0018 (7)	0.0058 (7)
Cl34	0.0543 (9)	0.0706 (11)	0.0409 (8)	−0.0064 (8)	0.0206 (7)	0.0050 (7)
Cl35	0.0419 (7)	0.0388 (7)	0.0441 (8)	−0.0058 (6)	0.0044 (6)	0.0011 (6)
Cl36	0.0504 (9)	0.0469 (9)	0.0603 (10)	−0.0102 (7)	−0.0023 (7)	−0.0037 (7)
N11	0.059 (3)	0.049 (3)	0.046 (3)	0.012 (3)	0.001 (3)	−0.016 (3)
N21	0.113 (6)	0.044 (4)	0.063 (4)	0.037 (4)	0.009 (4)	0.010 (3)
N31	0.064 (4)	0.067 (4)	0.071 (4)	−0.013 (3)	−0.006 (3)	0.003 (3)
N41	0.079 (4)	0.054 (4)	0.069 (4)	−0.037 (3)	0.013 (3)	−0.007 (3)
N51	0.058 (4)	0.074 (4)	0.087 (5)	−0.003 (3)	0.024 (4)	0.011 (4)
N61	0.099 (6)	0.053 (4)	0.068 (4)	0.036 (4)	0.003 (4)	0.004 (3)
N71	0.060 (4)	0.052 (3)	0.053 (3)	0.018 (3)	0.018 (3)	0.012 (3)
C86	0.090 (7)	0.037 (4)	0.106 (7)	−0.001 (5)	−0.021 (6)	0.007 (4)
C12	0.054 (4)	0.082 (6)	0.047 (4)	−0.013 (4)	0.018 (3)	−0.007 (4)
C13	0.092 (6)	0.051 (4)	0.050 (4)	−0.011 (4)	0.013 (4)	0.006 (3)
C14	0.074 (5)	0.043 (4)	0.045 (4)	0.024 (3)	0.002 (3)	−0.001 (3)
C15	0.050 (4)	0.057 (4)	0.049 (4)	0.001 (3)	0.016 (3)	0.003 (3)
C16	0.073 (5)	0.036 (3)	0.045 (4)	−0.002 (3)	0.010 (3)	0.001 (3)
C22	0.032 (3)	0.097 (7)	0.076 (5)	0.012 (4)	−0.006 (3)	−0.035 (5)
C23	0.080 (6)	0.060 (5)	0.097 (6)	−0.029 (5)	0.027 (5)	0.002 (5)
C24	0.096 (7)	0.060 (5)	0.120 (8)	0.025 (5)	−0.004 (6)	0.042 (5)
C25	0.044 (4)	0.101 (7)	0.120 (8)	0.019 (5)	−0.003 (5)	−0.012 (6)
C26	0.078 (6)	0.052 (5)	0.109 (7)	−0.022 (4)	0.044 (5)	−0.011 (5)
C32	0.053 (4)	0.061 (5)	0.081 (5)	0.004 (4)	0.027 (4)	0.004 (4)
C33	0.093 (6)	0.059 (5)	0.048 (4)	0.012 (4)	0.014 (4)	−0.003 (3)
C34	0.075 (6)	0.084 (6)	0.093 (7)	−0.002 (5)	−0.033 (5)	−0.018 (5)
C35	0.028 (3)	0.076 (6)	0.126 (8)	0.007 (4)	0.003 (4)	−0.013 (5)
C36	0.073 (5)	0.065 (5)	0.071 (5)	0.017 (4)	0.026 (4)	−0.003 (4)
C42	0.050 (4)	0.063 (4)	0.054 (4)	0.001 (3)	0.008 (3)	−0.023 (3)
C43	0.061 (4)	0.081 (5)	0.054 (4)	−0.012 (4)	0.025 (4)	0.009 (4)
C44	0.134 (8)	0.038 (4)	0.112 (7)	−0.038 (5)	0.036 (7)	−0.015 (4)
C45	0.142 (9)	0.078 (6)	0.122 (8)	−0.028 (6)	0.085 (7)	−0.054 (6)
C46	0.095 (6)	0.101 (7)	0.081 (6)	−0.055 (6)	0.054 (5)	−0.039 (5)
C52	0.057 (5)	0.058 (5)	0.085 (6)	−0.015 (4)	−0.009 (4)	−0.006 (4)
C53	0.137 (8)	0.045 (4)	0.048 (4)	0.028 (5)	0.011 (5)	−0.006 (3)
C54	0.050 (4)	0.080 (6)	0.106 (7)	0.024 (4)	0.047 (5)	0.038 (5)
C55	0.053 (4)	0.062 (5)	0.074 (5)	−0.015 (4)	−0.005 (4)	−0.005 (4)
C56	0.068 (5)	0.079 (5)	0.058 (5)	−0.010 (4)	0.018 (4)	−0.008 (4)
C62	0.038 (4)	0.103 (7)	0.080 (6)	0.004 (4)	0.003 (4)	−0.027 (5)
C63	0.100 (7)	0.046 (5)	0.101 (7)	−0.017 (5)	0.028 (6)	0.004 (4)
C64	0.107 (8)	0.064 (6)	0.111 (8)	0.049 (6)	−0.013 (6)	0.018 (5)
C65	0.033 (4)	0.122 (8)	0.101 (7)	0.006 (5)	0.008 (4)	−0.032 (6)
C66	0.088 (6)	0.060 (5)	0.079 (6)	−0.023 (5)	0.041 (5)	−0.013 (4)
C72	0.040 (3)	0.072 (5)	0.047 (4)	−0.015 (3)	0.009 (3)	0.003 (3)
C73	0.069 (5)	0.040 (4)	0.067 (5)	−0.014 (3)	0.011 (4)	−0.006 (3)
C74	0.058 (4)	0.048 (4)	0.089 (6)	0.021 (4)	0.001 (4)	−0.004 (4)
C75	0.046 (4)	0.075 (5)	0.084 (6)	−0.014 (4)	−0.007 (4)	−0.014 (4)
C76	0.072 (5)	0.035 (4)	0.062 (4)	−0.006 (3)	0.004 (4)	−0.011 (3)
N81	0.066 (5)	0.127 (8)	0.109 (7)	0.016 (6)	−0.008 (5)	−0.072 (6)
C82	0.101 (9)	0.128 (10)	0.077 (7)	−0.041 (8)	0.020 (6)	0.021 (7)
C83	0.121 (10)	0.060 (6)	0.179 (13)	0.013 (7)	−0.032 (9)	0.041 (7)
C84	0.047 (5)	0.138 (11)	0.144 (11)	0.019 (6)	0.003 (6)	−0.038 (9)
C85	0.103 (8)	0.122 (9)	0.058 (5)	−0.066 (7)	0.019 (5)	0.018 (5)

Geometric parameters (Å, º)

Bi10—Cl11	2.6597 (15)	C23—H23	0.9400
Bi10—Cl14	2.6921 (15)	C24—C25	1.335 (12)
Bi10—Cl12	2.7077 (15)	C24—H24	0.9400
Bi10—Cl15	2.7106 (15)	C25—C26	1.317 (12)
Bi10—Cl16	2.7111 (15)	C25—H25	0.9400
Bi10—Cl13	2.7471 (15)	C26—H26	0.9400
Bi20—Cl24	2.5900 (15)	C32—C33	1.338 (10)
Bi20—Cl23	2.6815 (15)	C32—H32	0.9400
Bi20—Cl25	2.6855 (16)	C33—C34	1.337 (11)
Bi20—Cl21	2.7086 (15)	C33—H33	0.9400
Bi20—Cl26	2.7238 (16)	C34—C35	1.326 (11)
Bi20—Cl22	2.8569 (15)	C34—H34	0.9400
Bi30—Cl35	2.6663 (15)	C35—C36	1.316 (11)
Bi30—Cl34	2.6674 (16)	C35—H35	0.9400
Bi30—Cl33	2.6815 (16)	C36—H36	0.9400
Bi30—Cl31	2.7152 (15)	C42—C43	1.328 (10)
Bi30—Cl32	2.7397 (15)	C42—H42	0.9400
Bi30—Cl36	2.7507 (16)	C43—C44	1.368 (10)
K1—Cl26	3.066 (2)	C43—H43	0.9400
K1—Cl21^i	3.0747 (19)	C44—C45	1.378 (11)
K1—Cl31	3.099 (2)	C44—H44	0.9400
K1—Cl32	3.116 (2)	C45—C46	1.307 (11)
K1—Cl22^ii	3.1283 (19)	C45—H45	0.9400
K1—Cl35	3.236 (2)	C46—H46	0.9400
N11—C12	1.310 (8)	C52—C53	1.307 (11)
N11—C16	1.319 (8)	C52—H52	0.9400
N11—H11	0.8700	C53—C54	1.418 (12)
N21—C22	1.307 (10)	C53—H53	0.9400
N21—C26	1.309 (11)	C54—C55	1.376 (11)
N21—H21	0.8700	C54—H54	0.9400
N31—C36	1.335 (9)	C55—C56	1.316 (10)
N31—C32	1.348 (9)	C55—H55	0.9400
N31—H31	0.8700	C56—H56	0.9400
N41—C46	1.297 (9)	C62—C63	1.316 (12)
N41—C42	1.317 (8)	C62—H62	0.9400
N41—H41	0.8700	C63—C64	1.316 (13)
N51—C56	1.276 (9)	C63—H63	0.9400
N51—C52	1.296 (10)	C64—C65	1.342 (13)
N51—H51	0.8700	C64—H64	0.9400
N61—C66	1.303 (10)	C65—C66	1.304 (12)
N61—C62	1.312 (10)	C65—H65	0.9400
N61—H61	0.8700	C66—H66	0.9400
N71—C72	1.316 (8)	C72—C73	1.331 (9)
N71—C76	1.321 (8)	C72—H72	0.9400
N71—H71	0.8700	C73—C74	1.353 (10)
C86—N81	1.233 (12)	C73—H73	0.9400
C86—C85	1.310 (13)	C74—C75	1.379 (10)
C86—H86	0.9400	C74—H74	0.9400
C12—C13	1.355 (10)	C75—C76	1.325 (10)
C12—H12	0.9400	C75—H75	0.9400
C13—C14	1.357 (10)	C76—H76	0.9400
C13—H13	0.9400	N81—C82	1.300 (13)
C14—C15	1.351 (9)	N81—H81	0.8700
C14—H14	0.9400	C82—C83	1.276 (15)
C15—C16	1.352 (9)	C82—H82	0.9400
C15—H15	0.9400	C83—C84	1.353 (16)
C16—H16	0.9400	C83—H83	0.9400
C22—C23	1.334 (12)	C84—C85	1.329 (14)
C22—H22	0.9400	C84—H84	0.9400
C23—C24	1.324 (12)	C85—H85	0.9400
Cl11—Bi10—Cl14	90.30 (5)	N21—C22—C23	118.7 (7)
Cl11—Bi10—Cl12	87.86 (5)	N21—C22—H22	120.7
Cl14—Bi10—Cl12	178.03 (5)	C23—C22—H22	120.7
Cl11—Bi10—Cl15	90.62 (5)	C24—C23—C22	119.2 (8)
Cl14—Bi10—Cl15	94.33 (5)	C24—C23—H23	120.4
Cl12—Bi10—Cl15	86.39 (5)	C22—C23—H23	120.4
Cl11—Bi10—Cl16	90.36 (5)	C23—C24—C25	121.1 (8)
Cl14—Bi10—Cl16	90.94 (5)	C23—C24—H24	119.5
Cl12—Bi10—Cl16	88.37 (5)	C25—C24—H24	119.5
Cl15—Bi10—Cl16	174.64 (4)	C26—C25—C24	119.0 (8)
Cl11—Bi10—Cl13	176.32 (5)	C26—C25—H25	120.5
Cl14—Bi10—Cl13	93.38 (5)	C24—C25—H25	120.5
Cl12—Bi10—Cl13	88.46 (5)	N21—C26—C25	119.4 (7)
Cl15—Bi10—Cl13	89.11 (5)	N21—C26—H26	120.3
Cl16—Bi10—Cl13	89.59 (5)	C25—C26—H26	120.3
Cl24—Bi20—Cl23	86.51 (6)	C33—C32—N31	120.6 (7)
Cl24—Bi20—Cl25	90.25 (5)	C33—C32—H32	119.7
Cl23—Bi20—Cl25	90.37 (5)	N31—C32—H32	119.7
Cl24—Bi20—Cl21	88.41 (6)	C32—C33—C34	118.0 (7)
Cl23—Bi20—Cl21	172.09 (5)	C32—C33—H33	121.0
Cl25—Bi20—Cl21	95.72 (5)	C34—C33—H33	121.0
Cl24—Bi20—Cl26	96.35 (5)	C35—C34—C33	121.6 (8)
Cl23—Bi20—Cl26	85.55 (5)	C35—C34—H34	119.2
Cl25—Bi20—Cl26	172.01 (5)	C33—C34—H34	119.2
Cl21—Bi20—Cl26	88.99 (5)	C36—C35—C34	120.1 (7)
Cl24—Bi20—Cl22	172.87 (5)	C36—C35—H35	120.0
Cl23—Bi20—Cl22	87.12 (6)	C34—C35—H35	120.0
Cl25—Bi20—Cl22	86.59 (4)	C35—C36—N31	120.2 (7)
Cl21—Bi20—Cl22	98.26 (5)	C35—C36—H36	119.9
Cl26—Bi20—Cl22	86.35 (4)	N31—C36—H36	119.9
Cl35—Bi30—Cl34	92.64 (5)	N41—C42—C43	119.9 (6)
Cl35—Bi30—Cl33	91.45 (5)	N41—C42—H42	120.0
Cl34—Bi30—Cl33	89.88 (5)	C43—C42—H42	120.0
Cl35—Bi30—Cl31	86.06 (5)	C42—C43—C44	118.2 (6)
Cl34—Bi30—Cl31	92.12 (5)	C42—C43—H43	120.9
Cl33—Bi30—Cl31	176.87 (5)	C44—C43—H43	120.9
Cl35—Bi30—Cl32	87.92 (5)	C45—C44—C43	119.3 (7)
Cl34—Bi30—Cl32	179.38 (5)	C45—C44—H44	120.3
Cl33—Bi30—Cl32	90.37 (5)	C43—C44—H44	120.3
Cl31—Bi30—Cl32	87.65 (4)	C46—C45—C44	119.4 (7)
Cl35—Bi30—Cl36	174.44 (5)	C46—C45—H45	120.3
Cl34—Bi30—Cl36	88.02 (5)	C44—C45—H45	120.3
Cl33—Bi30—Cl36	94.08 (6)	N41—C46—C45	120.0 (7)
Cl31—Bi30—Cl36	88.40 (5)	N41—C46—H46	120.0
Cl32—Bi30—Cl36	91.41 (5)	C45—C46—H46	120.0
Cl26—K1—Cl21^i	109.38 (5)	N51—C52—C53	121.5 (7)
Cl26—K1—Cl31	82.62 (5)	N51—C52—H52	119.2
Cl21^i—K1—Cl31	146.00 (6)	C53—C52—H52	119.2
Cl26—K1—Cl32	152.35 (6)	C52—C53—C54	118.1 (7)
Cl21^i—K1—Cl32	82.43 (5)	C52—C53—H53	121.0
Cl31—K1—Cl32	74.87 (5)	C54—C53—H53	121.0
Cl26—K1—Cl22^ii	106.30 (5)	C55—C54—C53	116.7 (6)
Cl21^i—K1—Cl22^ii	109.71 (6)	C55—C54—H54	121.6
Cl31—K1—Cl22^ii	96.27 (6)	C53—C54—H54	121.6
Cl32—K1—Cl22^ii	92.11 (5)	C56—C55—C54	120.0 (7)
Cl26—K1—Cl35	85.28 (5)	C56—C55—H55	120.0
Cl21^i—K1—Cl35	78.44 (5)	C54—C55—H55	120.0
Cl31—K1—Cl35	70.82 (5)	N51—C56—C55	120.6 (7)
Cl32—K1—Cl35	72.41 (4)	N51—C56—H56	119.7
Cl22^ii—K1—Cl35	161.76 (6)	C55—C56—H56	119.7
Bi20—Cl21—K1^ii	167.37 (7)	N61—C62—C63	119.5 (7)
Bi20—Cl22—K1^i	174.14 (6)	N61—C62—H62	120.2
Bi20—Cl26—K1	162.58 (7)	C63—C62—H62	120.2
Bi30—Cl31—K1	84.87 (5)	C64—C63—C62	118.6 (8)
Bi30—Cl32—K1	84.15 (5)	C64—C63—H63	120.7
Bi30—Cl35—K1	82.98 (5)	C62—C63—H63	120.7
C12—N11—C16	122.7 (6)	C63—C64—C65	121.6 (8)
C12—N11—H11	118.6	C63—C64—H64	119.2
C16—N11—H11	118.6	C65—C64—H64	119.2
C22—N21—C26	122.7 (7)	C66—C65—C64	118.3 (8)
C22—N21—H21	118.6	C66—C65—H65	120.9
C26—N21—H21	118.6	C64—C65—H65	120.9
C36—N31—C32	119.5 (7)	N61—C66—C65	120.0 (8)
C36—N31—H31	120.3	N61—C66—H66	120.0
C32—N31—H31	120.3	C65—C66—H66	120.0
C46—N41—C42	123.1 (6)	N71—C72—C73	120.7 (6)
C46—N41—H41	118.4	N71—C72—H72	119.7
C42—N41—H41	118.4	C73—C72—H72	119.7
C56—N51—C52	123.0 (7)	C72—C73—C74	118.6 (6)
C56—N51—H51	118.5	C72—C73—H73	120.7
C52—N51—H51	118.5	C74—C73—H73	120.7
C66—N61—C62	121.9 (7)	C73—C74—C75	119.4 (7)
C66—N61—H61	119.0	C73—C74—H74	120.3
C62—N61—H61	119.0	C75—C74—H74	120.3
C72—N71—C76	122.5 (6)	C76—C75—C74	120.1 (7)
C72—N71—H71	118.7	C76—C75—H75	120.0
C76—N71—H71	118.7	C74—C75—H75	120.0
N81—C86—C85	123.1 (9)	N71—C76—C75	118.7 (6)
N81—C86—H86	118.4	N71—C76—H76	120.6
C85—C86—H86	118.4	C75—C76—H76	120.6
N11—C12—C13	119.7 (6)	C86—N81—C82	120.5 (9)
N11—C12—H12	120.2	C86—N81—H81	119.8
C13—C12—H12	120.2	C82—N81—H81	119.8
C12—C13—C14	118.8 (7)	C83—C82—N81	120.4 (10)
C12—C13—H13	120.6	C83—C82—H82	119.8
C14—C13—H13	120.6	N81—C82—H82	119.8
C15—C14—C13	120.3 (6)	C82—C83—C84	120.4 (10)
C15—C14—H14	119.8	C82—C83—H83	119.8
C13—C14—H14	119.8	C84—C83—H83	119.8
C14—C15—C16	119.1 (6)	C85—C84—C83	117.2 (9)
C14—C15—H15	120.4	C85—C84—H84	121.4
C16—C15—H15	120.4	C83—C84—H84	121.4
N11—C16—C15	119.4 (6)	C86—C85—C84	118.4 (8)
N11—C16—H16	120.3	C86—C85—H85	120.8
C15—C16—H16	120.3	C84—C85—H85	120.8
C16—N11—C12—C13	−0.8 (10)	C56—N51—C52—C53	0.9 (13)
N11—C12—C13—C14	−0.2 (11)	N51—C52—C53—C54	−1.3 (12)
C12—C13—C14—C15	0.2 (11)	C52—C53—C54—C55	1.0 (11)
C13—C14—C15—C16	0.8 (11)	C53—C54—C55—C56	−0.2 (12)
C12—N11—C16—C15	1.7 (10)	C52—N51—C56—C55	0.0 (13)
C14—C15—C16—N11	−1.7 (10)	C54—C55—C56—N51	−0.3 (13)
C26—N21—C22—C23	1.2 (12)	C66—N61—C62—C63	−0.5 (12)
N21—C22—C23—C24	−0.7 (13)	N61—C62—C63—C64	1.0 (14)
C22—C23—C24—C25	1.1 (15)	C62—C63—C64—C65	−1.4 (16)
C23—C24—C25—C26	−1.9 (16)	C63—C64—C65—C66	1.3 (16)
C22—N21—C26—C25	−2.0 (13)	C62—N61—C66—C65	0.5 (12)
C24—C25—C26—N21	2.3 (15)	C64—C65—C66—N61	−0.9 (14)
C36—N31—C32—C33	−1.9 (11)	C76—N71—C72—C73	0.5 (10)
N31—C32—C33—C34	2.7 (12)	N71—C72—C73—C74	−1.2 (11)
C32—C33—C34—C35	−2.7 (14)	C72—C73—C74—C75	1.2 (12)
C33—C34—C35—C36	1.8 (15)	C73—C74—C75—C76	−0.6 (13)
C34—C35—C36—N31	−0.9 (14)	C72—N71—C76—C75	0.2 (10)
C32—N31—C36—C35	0.9 (12)	C74—C75—C76—N71	−0.1 (12)
C46—N41—C42—C43	1.7 (12)	C85—C86—N81—C82	0.7 (16)
N41—C42—C43—C44	−0.7 (12)	C86—N81—C82—C83	−2.0 (17)
C42—C43—C44—C45	−0.5 (15)	N81—C82—C83—C84	2 (2)
C43—C44—C45—C46	0.8 (18)	C82—C83—C84—C85	−1.7 (19)
C42—N41—C46—C45	−1.4 (16)	N81—C86—C85—C84	0.0 (16)
C44—C45—C46—N41	0.1 (18)	C83—C84—C85—C86	0.5 (16)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N11—H11···Cl13^iii	0.87	2.45	3.208 (5)	146
N21—H21···Cl16^iv	0.87	2.64	3.333 (6)	137
N21—H21···Cl11^v	0.87	2.83	3.430 (6)	128
N31—H31···Cl36^vi	0.87	2.73	3.388 (7)	134
N41—H41···Cl26^ii	0.87	2.56	3.325 (6)	147
N41—H41···Cl23^ii	0.87	2.76	3.342 (6)	126
N51—H51···Cl23^ii	0.87	2.45	3.255 (6)	153
N61—H61···Cl32^vii	0.87	2.69	3.359 (7)	134
N61—H61···Cl21^ii	0.87	2.76	3.361 (7)	128
N71—H71···Cl22^ii	0.87	2.46	3.228 (6)	147
N81—H81···Cl36^viii	0.87	2.46	3.321 (8)	170

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