The title cationic complex μ-guanidinido-bis[(2,2′:6′,2′′-terpyridine)platinum(II)], [Pt
2(C
15H
11N
3)
2(CH
4N
3)]
3+, has a twofold axis and shows a stacked dinuclear structure with a short Pt
Pt distance of 3.0749 (6) Å. The complexes are further stacked to form a columnar structure in the crystal of the title compound.
Supporting information
CCDC reference: 189283
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.020 Å
- R factor = 0.058
- wR factor = 0.174
- Data-to-parameter ratio = 13.0
checkCIF results
No syntax errors found
ADDSYM reports no extra symmetry
Alert Level C:
PLAT_202 Alert C Isotropic non-H Atoms in Anion/Solvent = 3
PLAT_321 Alert C Check Hybridisation of C(17) in solvent/ion ?
PLAT_420 Alert C D-H Without Acceptor N(5) - H(14) ?
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 26
N2 -PT1 -N4 -C16 0.00 5.00 1.555 1.555 1.555 1.555
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 42
N4 -PT1 -N2 -C6 -115.00 5.00 1.555 1.555 1.555 1.555
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 43
N4 -PT1 -N2 -C10 61.00 5.00 1.555 1.555 1.555 1.555
PLAT_733 Alert C Torsion Calc 22.9(9), Rep 23.0(3) .... 3.00 s.u-Ratio
PT1 -N4 -C16 -N4 1.555 1.555 1.555 2.655
General Notes
ABSTM_02 The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
Tmin and Tmax reported: 0.418 0.999
Tmin and Tmax expected: 0.033 0.603
RR = 7.713
Please check that your absorption correction is appropriate.
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
7 Alert Level C = Please check
Data collection: Rigaku/AFC Diffractometer Control Software (Rigaku, 1995); cell refinement: Rigaku/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation and Rigaku, 2000)'; program(s) used to solve structure: SIR92 (Altomare, 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.
Crystal data top
[Pt2(C15H11N3)2(CH4N3)](PF6)3·2C2H3N | Dx = 2.087 Mg m−3 |
Mr = 1431.78 | Mo Kα radiation, λ = 0.7107 Å |
Monoclinic, C2/c | Cell parameters from 24 reflections |
a = 17.000 (5) Å | θ = 14.9–15.0° |
b = 20.351 (4) Å | µ = 6.33 mm−1 |
c = 13.915 (4) Å | T = 296 K |
β = 108.87 (2)° | Plate, red |
V = 4555 (1) Å3 | 0.60 × 0.50 × 0.08 mm |
Z = 4 | |
Data collection top
Rigaku AFC-7R diffractometer | Rint = 0.038 |
ω–2θ scans | θmax = 27.5° |
Absorption correction: analytical (de Meulenaer & Tompa, 1965) | h = −2→22 |
Tmin = 0.418, Tmax = 0.999 | k = 0→26 |
6172 measured reflections | l = −18→17 |
5243 independent reflections | 3 standard reflections every 150 reflections |
3897 reflections with I > 2σ(I) | intensity decay: 5.6% |
Refinement top
Refinement on F2 | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.058 | w = 1/[σ2(Fo2) + (0.136P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.174 | (Δ/σ)max = −0.002 |
S = 1.02 | Δρmax = 2.69 e Å−3 |
3897 reflections | Δρmin = −3.42 e Å−3 |
299 parameters | |
Special details top
Refinement. Refinement using reflections with F2 > -10.0 σ(F2). The
weighted R-factor (wR) and goodness of fit (S) are based
on F2. R-factor (gt) are based on F. The threshold
expression of F2 > 2.0 σ(F2) is used only for calculating
R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Pt1 | 0.48419 (2) | 0.06339 (1) | 0.13479 (2) | 0.0399 (2) | |
P1 | 0.7835 (3) | 0.2342 (2) | 0.2103 (3) | 0.091 (1) | |
P2 | 1.0000 | −0.0412 (2) | 0.2500 | 0.071 (1) | |
F1 | 0.6909 (7) | 0.2086 (5) | 0.176 (1) | 0.155 (5) | |
F2 | 0.7532 (8) | 0.3033 (5) | 0.1600 (8) | 0.128 (4) | |
F3 | 0.776 (1) | 0.2615 (6) | 0.3122 (9) | 0.174 (6) | |
F4 | 0.7932 (8) | 0.2064 (6) | 0.1089 (9) | 0.141 (4) | |
F5 | 0.8147 (8) | 0.1649 (5) | 0.2631 (9) | 0.137 (4) | |
F6 | 0.8751 (7) | 0.2603 (5) | 0.2401 (8) | 0.139 (4) | |
F7 | 0.9311 (5) | 0.0123 (5) | 0.2082 (9) | 0.127 (4) | |
F8 | 0.9317 (5) | −0.0975 (5) | 0.2126 (9) | 0.128 (4) | |
F9 | 1.017 (1) | −0.0421 (9) | 0.1469 (10) | 0.162 (5) | |
N1 | 0.5979 (4) | 0.0215 (3) | 0.1689 (5) | 0.041 (1) | |
N2 | 0.4485 (5) | −0.0255 (4) | 0.0991 (5) | 0.044 (1) | |
N3 | 0.3600 (6) | 0.0771 (5) | 0.0832 (6) | 0.059 (2) | |
N4 | 0.5181 (5) | 0.1552 (3) | 0.1769 (6) | 0.049 (2) | |
N5 | 0.5000 | 0.2546 (5) | 0.2500 | 0.084 (5) | |
N6 | 0.978 (1) | 0.2192 (8) | 0.519 (1) | 0.12180 (6)* | |
C1 | 0.6723 (6) | 0.0505 (5) | 0.2018 (7) | 0.052 (2) | |
C2 | 0.7445 (6) | 0.0148 (6) | 0.2239 (9) | 0.066 (3) | |
C3 | 0.7406 (7) | −0.0527 (6) | 0.2133 (9) | 0.069 (3) | |
C4 | 0.6653 (7) | −0.0835 (5) | 0.1799 (8) | 0.059 (2) | |
C5 | 0.5942 (6) | −0.0453 (4) | 0.1554 (6) | 0.043 (2) | |
C6 | 0.5095 (6) | −0.0725 (4) | 0.1172 (6) | 0.045 (2) | |
C7 | 0.4839 (8) | −0.1380 (5) | 0.0952 (9) | 0.067 (3) | |
C8 | 0.4001 (8) | −0.1530 (6) | 0.0582 (8) | 0.074 (3) | |
C9 | 0.3412 (7) | −0.1036 (6) | 0.0422 (8) | 0.067 (3) | |
C10 | 0.3661 (6) | −0.0392 (6) | 0.0625 (7) | 0.057 (2) | |
C11 | 0.3159 (6) | 0.0206 (7) | 0.0529 (7) | 0.063 (3) | |
C12 | 0.2295 (8) | 0.0203 (9) | 0.015 (1) | 0.096 (5) | |
C13 | 0.1898 (8) | 0.079 (1) | 0.009 (1) | 0.123 (7) | |
C14 | 0.234 (1) | 0.136 (1) | 0.039 (1) | 0.113 (6) | |
C15 | 0.3192 (7) | 0.1350 (6) | 0.0753 (8) | 0.074 (3) | |
C16 | 0.5000 | 0.1885 (6) | 0.2500 | 0.055 (3) | |
C17 | 1.004 (1) | 0.1799 (9) | 0.479 (1) | 0.10480 (6)* | |
C18 | 1.021 (2) | 0.133 (2) | 0.411 (3) | 0.2022 (2)* | |
H2 | 0.6742 | 0.0983 | 0.2095 | 0.0519* | |
H3 | 0.7975 | 0.0368 | 0.2461 | 0.0665* | |
H4 | 0.7909 | −0.0786 | 0.2284 | 0.0689* | |
H5 | 0.6604 | −0.1316 | 0.1726 | 0.0589* | |
H6 | 0.5255 | −0.1732 | 0.1058 | 0.0667* | |
H7 | 0.3827 | −0.1984 | 0.0438 | 0.0738* | |
H8 | 0.2822 | −0.1147 | 0.0185 | 0.0672* | |
H9 | 0.1979 | −0.0208 | −0.0042 | 0.0956* | |
H10 | 0.1301 | 0.0827 | −0.0165 | 0.1234* | |
H11 | 0.2041 | 0.1776 | 0.0314 | 0.1127* | |
H12 | 0.3512 | 0.1768 | 0.0955 | 0.0742* | |
H13 | 0.5487 | 0.1753 | 0.1459 | 0.0486* | |
H14 | 0.4568 | 0.2758 | 0.2538 | 0.0841* | |
H16 | 0.9882 | 0.0948 | 0.4062 | 0.2022* | |
H17 | 1.0181 | 0.1499 | 0.3492 | 0.2022* | |
H18 | 1.0805 | 0.1171 | 0.4441 | 0.2022* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Pt1 | 0.0503 (2) | 0.0392 (2) | 0.0321 (2) | −0.0001 (1) | 0.0162 (1) | −0.0005 (1) |
P1 | 0.113 (3) | 0.077 (2) | 0.089 (2) | −0.050 (2) | 0.039 (2) | −0.014 (2) |
P2 | 0.048 (2) | 0.077 (3) | 0.082 (3) | 0.0000 | 0.011 (2) | 0.0000 |
F1 | 0.123 (8) | 0.104 (7) | 0.26 (2) | −0.052 (6) | 0.084 (9) | −0.007 (8) |
F2 | 0.164 (9) | 0.096 (6) | 0.122 (8) | −0.046 (6) | 0.043 (7) | 0.010 (5) |
F3 | 0.31 (2) | 0.136 (9) | 0.120 (8) | −0.03 (1) | 0.13 (1) | 0.000 (7) |
F4 | 0.162 (10) | 0.154 (9) | 0.105 (7) | −0.044 (8) | 0.039 (7) | −0.054 (7) |
F5 | 0.167 (10) | 0.092 (6) | 0.147 (9) | −0.039 (6) | 0.043 (8) | 0.002 (6) |
F6 | 0.126 (7) | 0.138 (8) | 0.136 (8) | −0.077 (7) | 0.019 (6) | −0.010 (7) |
F7 | 0.077 (5) | 0.114 (7) | 0.18 (1) | 0.014 (5) | 0.033 (6) | 0.036 (7) |
F8 | 0.080 (5) | 0.113 (7) | 0.166 (9) | −0.024 (5) | 0.004 (6) | 0.000 (7) |
F9 | 0.20 (1) | 0.19 (1) | 0.124 (9) | 0.01 (1) | 0.088 (9) | −0.009 (9) |
N1 | 0.048 (3) | 0.042 (3) | 0.033 (3) | −0.006 (3) | 0.014 (3) | −0.001 (3) |
N2 | 0.053 (4) | 0.050 (4) | 0.029 (3) | −0.002 (3) | 0.013 (3) | 0.000 (3) |
N3 | 0.061 (5) | 0.080 (6) | 0.034 (4) | 0.016 (4) | 0.014 (3) | −0.003 (4) |
N4 | 0.069 (4) | 0.033 (3) | 0.051 (4) | 0.002 (3) | 0.029 (4) | 0.009 (3) |
N5 | 0.13 (1) | 0.024 (5) | 0.12 (1) | 0.0000 | 0.06 (1) | 0.0000 |
C1 | 0.053 (5) | 0.058 (5) | 0.048 (5) | −0.015 (4) | 0.021 (4) | −0.008 (4) |
C2 | 0.047 (5) | 0.095 (9) | 0.061 (6) | −0.014 (5) | 0.021 (4) | −0.002 (6) |
C3 | 0.059 (6) | 0.088 (8) | 0.061 (6) | 0.019 (5) | 0.020 (5) | 0.008 (5) |
C4 | 0.071 (6) | 0.055 (5) | 0.051 (5) | 0.014 (5) | 0.021 (5) | 0.007 (4) |
C5 | 0.057 (5) | 0.037 (4) | 0.037 (4) | 0.002 (3) | 0.018 (3) | 0.002 (3) |
C6 | 0.064 (5) | 0.043 (4) | 0.037 (4) | −0.003 (4) | 0.027 (4) | −0.003 (3) |
C7 | 0.100 (8) | 0.045 (5) | 0.066 (6) | −0.012 (5) | 0.043 (6) | −0.001 (5) |
C8 | 0.104 (9) | 0.060 (6) | 0.059 (6) | −0.043 (6) | 0.028 (6) | −0.016 (5) |
C9 | 0.071 (6) | 0.084 (8) | 0.053 (5) | −0.038 (6) | 0.028 (5) | −0.015 (5) |
C10 | 0.061 (5) | 0.075 (6) | 0.037 (4) | −0.027 (5) | 0.019 (4) | −0.014 (4) |
C11 | 0.049 (5) | 0.102 (9) | 0.039 (4) | −0.006 (5) | 0.015 (4) | −0.019 (5) |
C12 | 0.051 (6) | 0.17 (2) | 0.065 (7) | 0.001 (8) | 0.018 (5) | −0.024 (9) |
C13 | 0.049 (6) | 0.23 (2) | 0.069 (9) | 0.04 (1) | −0.004 (6) | −0.03 (1) |
C14 | 0.088 (9) | 0.17 (2) | 0.063 (8) | 0.06 (1) | −0.006 (7) | −0.021 (9) |
C15 | 0.075 (7) | 0.087 (8) | 0.057 (6) | 0.035 (6) | 0.016 (5) | −0.005 (5) |
C16 | 0.081 (8) | 0.042 (6) | 0.049 (6) | 0.0000 | 0.031 (6) | 0.0000 |
Geometric parameters (Å, º) top
Pt1—N1 | 2.024 (7) | C1—H2 | 0.978 |
Pt1—N2 | 1.922 (7) | C2—C3 | 1.38 (2) |
Pt1—N3 | 2.018 (9) | C2—H3 | 0.963 |
Pt1—N4 | 1.987 (7) | C3—C4 | 1.37 (2) |
P1—F1 | 1.58 (1) | C3—H4 | 0.968 |
P1—F2 | 1.58 (1) | C4—C5 | 1.39 (1) |
P1—F3 | 1.57 (1) | C4—H5 | 0.984 |
P1—F4 | 1.58 (1) | C5—C6 | 1.47 (1) |
P1—F5 | 1.60 (1) | C6—C7 | 1.40 (1) |
P1—F6 | 1.57 (1) | C7—C8 | 1.38 (2) |
P2—F7 | 1.567 (10) | C7—H6 | 0.984 |
P2—F7i | 1.567 (10) | C8—C9 | 1.38 (2) |
P2—F8 | 1.593 (10) | C8—H7 | 0.972 |
P2—F8i | 1.593 (10) | C9—C10 | 1.38 (2) |
P2—F9 | 1.55 (2) | C9—H8 | 0.977 |
P2—F9i | 1.55 (2) | C10—C11 | 1.47 (2) |
N1—C1 | 1.34 (1) | C11—C12 | 1.39 (2) |
N1—C5 | 1.37 (1) | C12—C13 | 1.37 (3) |
N2—C6 | 1.37 (1) | C12—H9 | 0.985 |
N2—C10 | 1.36 (1) | C13—C14 | 1.36 (3) |
N3—C11 | 1.36 (2) | C13—H10 | 0.963 |
N3—C15 | 1.35 (2) | C14—C15 | 1.37 (2) |
N4—C16 | 1.34 (1) | C14—H11 | 0.982 |
N4—H13 | 0.877 | C15—H12 | 1.001 |
N5—C16 | 1.35 (2) | C17—C18 | 1.43 (5) |
N5—H14 | 0.868 | C18—H16 | 0.952 |
N5—H14ii | 0.868 | C18—H17 | 0.913 |
N6—C17 | 1.14 (3) | C18—H18 | 1.015 |
C1—C2 | 1.37 (1) | | |
| | | |
Pt1···Pt1ii | 3.0749 (6) | F7···C13iii | 3.58 (2) |
Pt1···C6iii | 3.548 (10) | F8···C13iii | 3.12 (2) |
F1···C8iii | 3.32 (2) | F8···N5vii | 3.21 (1) |
F2···C9iv | 3.18 (2) | F9···C13iii | 3.56 (2) |
F2···C4v | 3.19 (1) | N1···C10iii | 3.49 (1) |
F2···C8iv | 3.36 (2) | N1···N2iii | 3.553 (9) |
F2···C3v | 3.40 (2) | N3···C4iii | 3.55 (1) |
F2···F4vi | 3.57 (2) | N4···N6viii | 3.30 (2) |
F3···C4v | 3.30 (2) | N5···N6ix | 3.16 (2) |
F4···C9iii | 3.30 (2) | N5···N6viii | 3.16 (2) |
F4···F4vi | 3.41 (2) | N6···C7v | 3.47 (2) |
F4···C8iii | 3.53 (2) | C1···C9iii | 3.50 (2) |
F4···C8iv | 3.58 (2) | C1···C10iii | 3.53 (1) |
F6···C8iv | 3.22 (2) | C2···C12iii | 3.57 (2) |
F6···C7v | 3.42 (1) | C3···C12iii | 3.44 (2) |
F6···C4v | 3.51 (2) | C3···C11iii | 3.57 (2) |
F7···C12iii | 3.47 (2) | C4···C11iii | 3.59 (2) |
| | | |
N1—Pt1—N2 | 82.0 (3) | C2—C1—H2 | 120.5 |
N1—Pt1—N3 | 162.1 (3) | C1—C2—C3 | 119.6 (10) |
N1—Pt1—N4 | 99.4 (3) | C1—C2—H3 | 120.0 |
N2—Pt1—N3 | 80.3 (3) | C3—C2—H3 | 120.4 |
N2—Pt1—N4 | 177.1 (4) | C2—C3—C4 | 120 (1) |
N3—Pt1—N4 | 98.4 (4) | C2—C3—H4 | 120.7 |
F1—P1—F2 | 90.6 (6) | C4—C3—H4 | 119.1 |
F1—P1—F3 | 91.3 (9) | C3—C4—C5 | 118 (1) |
F1—P1—F4 | 89.7 (8) | C3—C4—H5 | 122.2 |
F1—P1—F5 | 89.9 (6) | C5—C4—H5 | 119.7 |
F1—P1—F6 | 177.8 (8) | N1—C5—C4 | 121.7 (8) |
F2—P1—F3 | 88.6 (7) | N1—C5—C6 | 114.9 (7) |
F2—P1—F4 | 92.1 (7) | C4—C5—C6 | 123.4 (8) |
F2—P1—F5 | 179.0 (6) | N2—C6—C5 | 113.3 (7) |
F2—P1—F6 | 88.2 (6) | N2—C6—C7 | 117.3 (9) |
F3—P1—F4 | 178.8 (8) | C5—C6—C7 | 129.4 (9) |
F3—P1—F5 | 90.5 (7) | C6—C7—C8 | 119 (1) |
F3—P1—F6 | 90.4 (8) | C6—C7—H6 | 120.0 |
F4—P1—F5 | 88.8 (7) | C8—C7—H6 | 120.0 |
F4—P1—F6 | 88.5 (7) | C7—C8—C9 | 120 (1) |
F5—P1—F6 | 91.3 (6) | C7—C8—H7 | 119.6 |
F7—P2—F7i | 91.9 (7) | C9—C8—H7 | 120.2 |
F7—P2—F8 | 90.0 (5) | C8—C9—C10 | 119 (1) |
F7—P2—F8i | 177.3 (6) | C8—C9—H8 | 119.8 |
F7—P2—F9 | 90.3 (8) | C10—C9—H8 | 120.2 |
F7—P2—F9i | 90.6 (8) | N2—C10—C9 | 118.9 (10) |
F7i—P2—F8 | 177.3 (6) | N2—C10—C11 | 111.3 (9) |
F7i—P2—F8i | 90.0 (5) | C9—C10—C11 | 129.8 (10) |
F7i—P2—F9 | 90.6 (8) | N3—C11—C10 | 115.2 (9) |
F7i—P2—F9i | 90.3 (8) | N3—C11—C12 | 121 (1) |
F8—P2—F8i | 88.1 (7) | C10—C11—C12 | 122 (1) |
F8—P2—F9 | 91.4 (8) | C11—C12—C13 | 117 (1) |
F8—P2—F9i | 87.7 (8) | C11—C12—H9 | 121.5 |
F8i—P2—F9 | 87.7 (8) | C13—C12—H9 | 121.0 |
F8i—P2—F9i | 91.4 (8) | C12—C13—C14 | 120 (1) |
F9—P2—F9i | 178 (1) | C12—C13—H10 | 121.7 |
PT1—N1—C1 | 128.3 (6) | C14—C13—H10 | 117.6 |
PT1—N1—C5 | 112.7 (5) | C13—C14—C15 | 121 (1) |
C1—N1—C5 | 118.9 (8) | C13—C14—H11 | 119.3 |
PT1—N2—C6 | 116.9 (6) | C15—C14—H11 | 119.5 |
PT1—N2—C10 | 119.5 (7) | N3—C15—C14 | 119 (1) |
C6—N2—C10 | 123.6 (8) | N3—C15—H12 | 120.1 |
PT1—N3—C11 | 113.6 (7) | C14—C15—H12 | 120.6 |
PT1—N3—C15 | 126.7 (8) | N4—C16—N4ii | 119 (1) |
C11—N3—C15 | 119.6 (9) | N4—C16—N5 | 120.5 (6) |
PT1—N4—C16 | 125.8 (7) | N4ii—C16—N5 | 120.5 (6) |
PT1—N4—H13 | 117.1 | N6—C17—C18 | 168 (1) |
C16—N4—H13 | 117.1 | C17—C18—H16 | 110.6 |
C16—N5—H14 | 119.8 | C17—C18—H17 | 114.2 |
C16—N5—H14ii | 119.8 | C17—C18—H18 | 107.7 |
H14—N5—H14ii | 120.4 | H16—C18—H17 | 112.5 |
N1—C1—C2 | 121.4 (9) | H16—C18—H18 | 104.1 |
N1—C1—H2 | 118.1 | H17—C18—H18 | 107.0 |
| | | |
PT1—N1—C1—C2 | 178.5 (8) | N3—PT1—N2—C10 | −1.9 (7) |
PT1—N1—C5—C4 | −176.4 (8) | N3—PT1—N4—C16 | 63.6 (6) |
PT1—N1—C5—C6 | 1.3 (9) | N3—C11—C10—C9 | 177 (1) |
PT1—N2—C6—C5 | −4 (1) | N3—C11—C12—C13 | 0 (1) |
PT1—N2—C6—C7 | 177.5 (8) | N3—C15—C14—C13 | −1 (2) |
PT1—N2—C10—C9 | −176.7 (8) | N4—PT1—N1—C1 | −5.0 (8) |
PT1—N2—C10—C11 | 2 (1) | N4—PT1—N1—C5 | 174.7 (6) |
PT1—N3—C11—C10 | 0 (1) | N4—PT1—N2—C6 | −115 (5) |
PT1—N3—C11—C12 | 180.0 (9) | N4—PT1—N2—C10 | 61 (5) |
PT1—N3—C15—C14 | −179.6 (10) | N4—PT1—N3—C11 | −176.2 (7) |
PT1—N4—C16—N4ii | 23.0 (3) | N4—PT1—N3—C15 | 4.8 (10) |
PT1—N4—C16—N5 | −157.0 (3) | C1—N1—C5—C4 | 3 (1) |
N1—PT1—N2—C6 | 3.8 (6) | C1—N1—C5—C6 | −179.0 (8) |
N1—PT1—N2—C10 | −179.3 (7) | C1—C2—C3—C4 | 0 (1) |
N1—PT1—N3—C11 | 9 (1) | C2—C1—N1—C5 | −1 (1) |
N1—PT1—N3—C15 | −169.5 (9) | C2—C3—C4—C5 | 1 (1) |
N1—PT1—N4—C16 | −118.1 (6) | C3—C4—C5—C6 | 179 (1) |
N1—C1—C2—C3 | 0 (1) | C4—C5—C6—C7 | −2 (1) |
N1—C5—C4—C3 | −3 (1) | C5—C6—N2—C10 | 179.2 (8) |
N1—C5—C6—N2 | 1 (1) | C5—C6—C7—C8 | −179 (1) |
N1—C5—C6—C7 | 179 (1) | C6—N2—C10—C9 | 0 (1) |
N2—PT1—N1—C1 | 177.6 (8) | C6—N2—C10—C11 | 178.8 (8) |
N2—PT1—N1—C5 | −2.7 (6) | C6—C7—C8—C9 | 0 (1) |
N2—PT1—N3—C11 | 1.2 (7) | C7—C6—N2—C10 | 0 (1) |
N2—PT1—N3—C15 | −177.8 (10) | C7—C8—C9—C10 | 0 (1) |
N2—PT1—N4—C16 | 0 (5) | C8—C9—C10—C11 | −179 (1) |
N2—C6—C5—C4 | 179.3 (9) | C9—C10—C11—C12 | −2 (1) |
N2—C6—C7—C8 | 0 (1) | C10—C11—N3—C15 | 178.7 (10) |
N2—C10—C9—C8 | 0 (1) | C10—C11—C12—C13 | −179 (1) |
N2—C10—C11—N3 | −1 (1) | C11—N3—C15—C14 | 1 (1) |
N2—C10—C11—C12 | 178 (1) | C11—C12—C13—C14 | 0 (2) |
N3—PT1—N1—C1 | 169 (1) | C12—C11—N3—C15 | 0 (1) |
N3—PT1—N1—C5 | −11 (1) | C12—C13—C14—C15 | 1 (2) |
N3—PT1—N2—C6 | −178.8 (7) | C12—C13—C14—C15 | 1 (2) |
Symmetry codes: (i) −x+2, y, −z+1/2; (ii) −x+1, y, −z+1/2; (iii) −x+1, −y, −z; (iv) x+1/2, y+1/2, z; (v) −x+3/2, y+1/2, −z+1/2; (vi) −x+3/2, −y+1/2, −z; (vii) x+1/2, y−1/2, z; (viii) x−1/2, −y+1/2, z−1/2; (ix) −x+3/2, −y+1/2, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N4—H13···F1 | 0.88 | 2.41 | 3.14 (1) | 140 |
N5—H14···N6ix | 0.87 | 3.00 | 3.16 (2) | 93 |
N5—H14···F8x | 0.87 | 2.65 | 3.21 (1) | 123 |
Symmetry codes: (ix) −x+3/2, −y+1/2, −z+1; (x) x−1/2, y+1/2, z. |