The reaction of 2-morpholinoethylamine and cyclobutane-1,1-dicarboxylic acid with potassium tetrachloroplatinate(II) produced the monomeric title complex, [Pt(C6H6O4)(C6H14N2O)]·3H2O. The PtII ion is tetracoordinated and situated in a square-planar environment.
Supporting information
CCDC reference: 633683
Key indicators
- Single-crystal X-ray study
- T = 294 K
- Mean (C-C) = 0.005 Å
- Disorder in main residue
- R factor = 0.015
- wR factor = 0.034
- Data-to-parameter ratio = 16.0
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D H6B .. H8D .. 2.09 Ang.
Alert level C
ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
Tmin and Tmax reported: 0.203 0.346
Tmin and Tmax expected: 0.170 0.347
RR = 1.201
Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.20
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C4
PLAT301_ALERT_3_C Main Residue Disorder ......................... 5.00 Perc.
PLAT417_ALERT_2_C Short Inter D-H..H-D H6A .. H8C .. 2.13 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2
N1 -PT1 -O1 -C1 -153.00 6.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6
N2 -PT1 -O3 -C6 156.00 12.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43
O1 -PT1 -N1 -C7 -50.00 7.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 47
O3 -PT1 -N2 -C12 -45.00 12.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 50
O3 -PT1 -N2 -C9 -163.00 12.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 53
O3 -PT1 -N2 -C8 77.00 12.00 1.555 1.555 1.555 1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 20.60 Deg.
C4' -C3 -C4 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 18.90 Deg.
H3A -C3 -H3C 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 18.90 Deg.
H3B -C3 -H3D 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 20.50 Deg.
C4 -C5 -C4' 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 17.80 Deg.
H5A -C5 -H5C 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 19.00 Deg.
H5B -C5 -H5D 1.555 1.555 1.555
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 28.26
From the CIF: _reflns_number_total 3786
Count of symmetry unique reflns 2154
Completeness (_total/calc) 175.77%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1632
Fraction of Friedel pairs measured 0.758
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
1 ALERT level B = Potentially serious problem
19 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
9 ALERT type 2 Indicator that the structure model may be wrong or deficient
3 ALERT type 3 Indicator that the structure quality may be low
8 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2000); software used to prepare material for publication: SHELXTL (Sheldrick, 2000) and DIAMOND (Bergerhoff, 1996).
(Cyclobutane-1,1-dicarboxylato)(2-morpholinoethylamine)platinum(II) trihydrate
top
Crystal data top
[Pt(C6H6O4)(C6H14N2O)]·3H2O | F(000) = 1016 |
Mr = 521.44 | Dx = 2.002 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: C -2yc | Cell parameters from 6146 reflections |
a = 15.8575 (9) Å | θ = 2.6–28.2° |
b = 12.3884 (7) Å | µ = 8.15 mm−1 |
c = 9.0359 (5) Å | T = 294 K |
β = 102.889 (1)° | Block, colourless |
V = 1730.37 (17) Å3 | 0.24 × 0.19 × 0.13 mm |
Z = 4 | |
Data collection top
Bruker APEXII CCD area-detector diffractometer | 3786 independent reflections |
Radiation source: fine-focus sealed tube | 3509 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.019 |
Detector resolution: 10 pixels mm-1 | θmax = 28.3°, θmin = 2.1° |
φ and ω scans | h = −20→20 |
Absorption correction: multi-scan (Sheldrick, 2002) | k = −15→15 |
Tmin = 0.203, Tmax = 0.346 | l = −11→11 |
8167 measured reflections | |
Refinement top
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.015 | w = 1/[σ2(Fo2)] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.034 | (Δ/σ)max = 0.003 |
S = 0.87 | Δρmax = 0.59 e Å−3 |
3786 reflections | Δρmin = −0.72 e Å−3 |
237 parameters | Extinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
33 restraints | Extinction coefficient: 0.00297 (8) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983), with 1632 Friedel pairs |
Secondary atom site location: difference Fourier map | Absolute structure parameter: 0.016 (7) |
Special details top
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 (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Pt1 | −0.00116 (4) | 0.333885 (7) | 0.24737 (5) | 0.02662 (5) | |
O1 | 0.0894 (3) | 0.3145 (2) | 0.1240 (5) | 0.0343 (7) | |
O2 | 0.12701 (17) | 0.2429 (2) | −0.0746 (3) | 0.0422 (6) | |
O3 | −0.0902 (4) | 0.3391 (2) | 0.0486 (7) | 0.0331 (13) | |
O4 | −0.13866 (18) | 0.2773 (2) | −0.1806 (3) | 0.0455 (7) | |
C1 | 0.0738 (2) | 0.2526 (3) | 0.0055 (4) | 0.0305 (7) | |
C2 | −0.0116 (2) | 0.1928 (3) | −0.0327 (4) | 0.0310 (7) | |
C3 | −0.0210 (3) | 0.1041 (3) | −0.1563 (4) | 0.0418 (9) | |
H3A | 0.0279 | 0.0987 | −0.2022 | 0.050* | 0.44 (3) |
H3B | −0.0739 | 0.1095 | −0.2323 | 0.050* | 0.44 (3) |
H3C | 0.0330 | 0.0809 | −0.1769 | 0.050* | 0.56 (3) |
H3D | −0.0615 | 0.1226 | −0.2486 | 0.050* | 0.56 (3) |
C4 | −0.0248 (15) | 0.0149 (7) | −0.0383 (12) | 0.057 (4) | 0.44 (3) |
H4A | −0.0783 | −0.0260 | −0.0599 | 0.068* | 0.44 (3) |
H4B | 0.0250 | −0.0328 | −0.0193 | 0.068* | 0.44 (3) |
C4' | −0.0587 (11) | 0.0280 (9) | −0.0550 (10) | 0.052 (3) | 0.56 (3) |
H4'A | −0.0338 | −0.0438 | −0.0471 | 0.062* | 0.56 (3) |
H4'B | −0.1214 | 0.0246 | −0.0804 | 0.062* | 0.56 (3) |
C5 | −0.0213 (2) | 0.1016 (3) | 0.0836 (4) | 0.0390 (9) | |
H5A | −0.0740 | 0.1067 | 0.1188 | 0.047* | 0.44 (3) |
H5B | 0.0278 | 0.0960 | 0.1674 | 0.047* | 0.44 (3) |
H5C | −0.0623 | 0.1185 | 0.1438 | 0.047* | 0.56 (3) |
H5D | 0.0326 | 0.0777 | 0.1460 | 0.047* | 0.56 (3) |
C6 | −0.0862 (2) | 0.2732 (3) | −0.0588 (4) | 0.0303 (7) | |
N1 | −0.0900 (3) | 0.3587 (3) | 0.3734 (5) | 0.0344 (9) | |
H1A | −0.1281 | 0.4095 | 0.3297 | 0.041* | |
H1B | −0.1192 | 0.2972 | 0.3801 | 0.041* | |
N2 | 0.0880 (5) | 0.3335 (2) | 0.4495 (8) | 0.0302 (15) | |
O5 | 0.2714 (2) | 0.3363 (2) | 0.6007 (4) | 0.0549 (8) | |
C7 | −0.0442 (2) | 0.3943 (4) | 0.5260 (4) | 0.0433 (9) | |
H7A | −0.0810 | 0.3853 | 0.5977 | 0.052* | |
H7B | −0.0287 | 0.4700 | 0.5240 | 0.052* | |
C8 | 0.0363 (3) | 0.3259 (3) | 0.5728 (5) | 0.0418 (10) | |
H8A | 0.0204 | 0.2514 | 0.5856 | 0.050* | |
H8B | 0.0710 | 0.3514 | 0.6687 | 0.050* | |
C9 | 0.1478 (2) | 0.2386 (3) | 0.4591 (4) | 0.0364 (8) | |
H9A | 0.1716 | 0.2371 | 0.3691 | 0.044* | |
H9B | 0.1149 | 0.1727 | 0.4605 | 0.044* | |
C10 | 0.2213 (2) | 0.2413 (4) | 0.5980 (5) | 0.0441 (9) | |
H10A | 0.1980 | 0.2384 | 0.6886 | 0.053* | |
H10B | 0.2578 | 0.1785 | 0.5981 | 0.053* | |
C11 | 0.2188 (3) | 0.4286 (4) | 0.6047 (6) | 0.0569 (12) | |
H11A | 0.2536 | 0.4933 | 0.6071 | 0.068* | |
H11B | 0.1967 | 0.4271 | 0.6965 | 0.068* | |
C12 | 0.1429 (3) | 0.4323 (3) | 0.4662 (5) | 0.0416 (9) | |
H12A | 0.1073 | 0.4947 | 0.4747 | 0.050* | |
H12B | 0.1654 | 0.4413 | 0.3755 | 0.050* | |
O6 | 0.7856 (2) | 0.4736 (2) | 0.7595 (4) | 0.0527 (8) | |
H6A | 0.800 (3) | 0.410 (3) | 0.783 (5) | 0.079* | |
H6B | 0.756 (3) | 0.476 (4) | 0.664 (3) | 0.079* | |
O7 | 0.3058 (2) | 0.3007 (3) | 0.0122 (4) | 0.0569 (8) | |
H7C | 0.328 (3) | 0.298 (5) | 0.107 (4) | 0.085* | |
H7D | 0.2529 (18) | 0.299 (5) | −0.008 (6) | 0.085* | |
O8 | 0.1955 (2) | 0.0284 (3) | 0.9685 (4) | 0.0654 (9) | |
H8C | 0.225 (4) | 0.008 (4) | 0.899 (6) | 0.098* | |
H8D | 0.193 (4) | 0.098 (2) | 0.961 (7) | 0.098* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Pt1 | 0.03237 (6) | 0.02665 (6) | 0.02179 (6) | 0.00370 (8) | 0.00809 (4) | 0.00099 (9) |
O1 | 0.0357 (16) | 0.0396 (16) | 0.0298 (16) | −0.0041 (15) | 0.0120 (12) | −0.0044 (16) |
O2 | 0.0399 (14) | 0.0598 (18) | 0.0307 (14) | 0.0023 (13) | 0.0159 (12) | −0.0060 (13) |
O3 | 0.036 (3) | 0.034 (3) | 0.029 (3) | 0.0076 (12) | 0.008 (2) | 0.0034 (13) |
O4 | 0.0515 (16) | 0.0490 (16) | 0.0300 (14) | 0.0135 (13) | −0.0035 (12) | −0.0035 (12) |
C1 | 0.0354 (18) | 0.0330 (18) | 0.0224 (17) | 0.0076 (14) | 0.0051 (14) | 0.0052 (13) |
C2 | 0.0392 (19) | 0.0293 (16) | 0.0249 (18) | 0.0026 (14) | 0.0080 (15) | 0.0013 (13) |
C3 | 0.051 (2) | 0.037 (2) | 0.035 (2) | 0.0093 (17) | 0.0045 (17) | −0.0115 (16) |
C4 | 0.060 (8) | 0.044 (5) | 0.074 (6) | 0.001 (5) | 0.033 (5) | −0.012 (4) |
C4' | 0.052 (6) | 0.034 (4) | 0.072 (5) | 0.002 (4) | 0.022 (4) | −0.010 (3) |
C5 | 0.047 (2) | 0.0307 (19) | 0.039 (2) | 0.0027 (15) | 0.0080 (18) | 0.0071 (15) |
C6 | 0.0359 (18) | 0.0281 (17) | 0.0273 (18) | 0.0038 (14) | 0.0079 (15) | 0.0041 (14) |
N1 | 0.0364 (19) | 0.0415 (19) | 0.0286 (19) | 0.008 (2) | 0.0142 (15) | 0.002 (2) |
N2 | 0.036 (4) | 0.030 (3) | 0.023 (3) | 0.0003 (14) | 0.003 (3) | 0.0038 (14) |
O5 | 0.0383 (16) | 0.066 (2) | 0.058 (2) | −0.0057 (13) | 0.0057 (15) | −0.0123 (14) |
C7 | 0.043 (2) | 0.058 (3) | 0.033 (2) | 0.0101 (19) | 0.0166 (17) | −0.0076 (18) |
C8 | 0.040 (2) | 0.059 (3) | 0.028 (2) | 0.0057 (18) | 0.0098 (17) | 0.0037 (17) |
C9 | 0.0369 (19) | 0.0341 (19) | 0.037 (2) | 0.0069 (15) | 0.0056 (16) | −0.0015 (15) |
C10 | 0.038 (2) | 0.056 (3) | 0.037 (2) | 0.0060 (17) | 0.0051 (17) | 0.0025 (18) |
C11 | 0.056 (3) | 0.057 (3) | 0.056 (3) | −0.017 (2) | 0.008 (2) | −0.020 (2) |
C12 | 0.054 (2) | 0.036 (2) | 0.037 (2) | −0.0038 (17) | 0.0143 (18) | −0.0027 (16) |
O6 | 0.0563 (18) | 0.0386 (17) | 0.059 (2) | 0.0048 (13) | 0.0030 (15) | 0.0003 (13) |
O7 | 0.0550 (19) | 0.072 (2) | 0.0421 (18) | −0.0063 (18) | 0.0080 (15) | 0.0031 (17) |
O8 | 0.072 (2) | 0.056 (2) | 0.068 (2) | 0.0170 (17) | 0.0132 (18) | 0.0030 (17) |
Geometric parameters (Å, º) top
Pt1—O1 | 2.019 (4) | N1—H1A | 0.9000 |
Pt1—O3 | 2.023 (6) | N1—H1B | 0.9000 |
Pt1—N1 | 2.023 (5) | N2—C12 | 1.491 (6) |
Pt1—N2 | 2.045 (7) | N2—C9 | 1.500 (6) |
O1—C1 | 1.295 (5) | N2—C8 | 1.527 (9) |
O2—C1 | 1.233 (4) | O5—C10 | 1.418 (5) |
O3—C6 | 1.280 (6) | O5—C11 | 1.420 (6) |
O4—C6 | 1.224 (4) | C7—C8 | 1.512 (6) |
C1—C2 | 1.515 (5) | C7—H7A | 0.9700 |
C2—C6 | 1.524 (5) | C7—H7B | 0.9700 |
C2—C3 | 1.550 (5) | C8—H8A | 0.9700 |
C2—C5 | 1.573 (5) | C8—H8B | 0.9700 |
C3—C4' | 1.527 (8) | C9—C10 | 1.511 (5) |
C3—C4 | 1.546 (9) | C9—H9A | 0.9700 |
C3—H3A | 0.9600 | C9—H9B | 0.9700 |
C3—H3B | 0.9600 | C10—H10A | 0.9700 |
C3—H3C | 0.9601 | C10—H10B | 0.9700 |
C3—H3D | 0.9600 | C11—C12 | 1.531 (6) |
C4—C5 | 1.531 (9) | C11—H11A | 0.9700 |
C4—H4A | 0.9700 | C11—H11B | 0.9700 |
C4—H4B | 0.9700 | C12—H12A | 0.9700 |
C4'—C5 | 1.556 (8) | C12—H12B | 0.9700 |
C4'—H4'A | 0.9700 | O6—H6A | 0.83 (3) |
C4'—H4'B | 0.9700 | O6—H6B | 0.88 (2) |
C5—H5A | 0.9601 | O7—H7C | 0.85 (3) |
C5—H5B | 0.9600 | O7—H7D | 0.82 (3) |
C5—H5C | 0.9600 | O8—H8C | 0.90 (3) |
C5—H5D | 0.9600 | O8—H8D | 0.86 (3) |
N1—C7 | 1.476 (6) | | |
| | | |
O1—Pt1—O3 | 87.4 (2) | H5A—C5—H5C | 17.8 |
O1—Pt1—N1 | 177.92 (18) | H5B—C5—H5C | 95.9 |
O3—Pt1—N1 | 93.4 (2) | C4—C5—H5D | 95.2 |
O1—Pt1—N2 | 93.3 (2) | C4'—C5—H5D | 115.0 |
O3—Pt1—N2 | 178.24 (14) | C2—C5—H5D | 114.1 |
N1—Pt1—N2 | 85.9 (3) | H5A—C5—H5D | 123.5 |
C1—O1—Pt1 | 120.0 (3) | H5B—C5—H5D | 19.0 |
C6—O3—Pt1 | 120.7 (4) | H5C—C5—H5D | 111.2 |
O2—C1—O1 | 120.9 (4) | O4—C6—O3 | 121.2 (4) |
O2—C1—C2 | 120.9 (3) | O4—C6—C2 | 120.9 (3) |
O1—C1—C2 | 118.2 (3) | O3—C6—C2 | 117.8 (4) |
C1—C2—C6 | 109.8 (3) | C7—N1—Pt1 | 108.2 (3) |
C1—C2—C3 | 116.6 (3) | C7—N1—H1A | 110.1 |
C6—C2—C3 | 113.9 (3) | Pt1—N1—H1A | 110.1 |
C1—C2—C5 | 114.5 (3) | C7—N1—H1B | 110.1 |
C6—C2—C5 | 112.6 (3) | Pt1—N1—H1B | 110.1 |
C3—C2—C5 | 88.0 (3) | H1A—N1—H1B | 108.4 |
C4'—C3—C4 | 20.6 (6) | C12—N2—C9 | 106.9 (5) |
C4'—C3—C2 | 89.6 (4) | C12—N2—C8 | 111.9 (4) |
C4—C3—C2 | 91.2 (4) | C9—N2—C8 | 110.1 (4) |
C4'—C3—H3A | 132.7 | C12—N2—Pt1 | 111.1 (3) |
C4—C3—H3A | 114.0 | C9—N2—Pt1 | 110.8 (4) |
C2—C3—H3A | 113.9 | C8—N2—Pt1 | 106.0 (4) |
C4'—C3—H3B | 94.3 | C10—O5—C11 | 109.8 (4) |
C4—C3—H3B | 112.3 | N1—C7—C8 | 107.6 (3) |
C2—C3—H3B | 113.3 | N1—C7—H7A | 110.2 |
H3A—C3—H3B | 110.9 | C8—C7—H7A | 110.2 |
C4'—C3—H3C | 114.6 | N1—C7—H7B | 110.2 |
C4—C3—H3C | 95.3 | C8—C7—H7B | 110.2 |
C2—C3—H3C | 113.9 | H7A—C7—H7B | 108.5 |
H3A—C3—H3C | 18.9 | C7—C8—N2 | 108.6 (4) |
H3B—C3—H3C | 123.8 | C7—C8—H8A | 110.0 |
C4'—C3—H3D | 113.1 | N2—C8—H8A | 110.0 |
C4—C3—H3D | 130.4 | C7—C8—H8B | 110.0 |
C2—C3—H3D | 113.3 | N2—C8—H8B | 110.0 |
H3A—C3—H3D | 95.2 | H8A—C8—H8B | 108.4 |
H3B—C3—H3D | 18.9 | N2—C9—C10 | 113.0 (4) |
H3C—C3—H3D | 110.9 | N2—C9—H9A | 109.0 |
C5—C4—C3 | 89.6 (5) | C10—C9—H9A | 109.0 |
C5—C4—H4A | 113.7 | N2—C9—H9B | 109.0 |
C3—C4—H4A | 113.7 | C10—C9—H9B | 109.0 |
C5—C4—H4B | 113.7 | H9A—C9—H9B | 107.8 |
C3—C4—H4B | 113.7 | O5—C10—C9 | 111.0 (3) |
H4A—C4—H4B | 111.0 | O5—C10—H10A | 109.4 |
C3—C4'—C5 | 89.4 (4) | C9—C10—H10A | 109.4 |
C3—C4'—H4'A | 113.7 | O5—C10—H10B | 109.4 |
C5—C4'—H4'A | 113.7 | C9—C10—H10B | 109.4 |
C3—C4'—H4'B | 113.7 | H10A—C10—H10B | 108.0 |
C5—C4'—H4'B | 113.7 | O5—C11—C12 | 111.2 (3) |
H4'A—C4'—H4'B | 111.0 | O5—C11—H11A | 109.4 |
C4—C5—C4' | 20.5 (6) | C12—C11—H11A | 109.4 |
C4—C5—C2 | 90.9 (4) | O5—C11—H11B | 109.4 |
C4'—C5—C2 | 87.7 (4) | C12—C11—H11B | 109.4 |
C4—C5—H5A | 112.9 | H11A—C11—H11B | 108.0 |
C4'—C5—H5A | 95.8 | N2—C12—C11 | 113.1 (4) |
C2—C5—H5A | 113.3 | N2—C12—H12A | 108.9 |
C4—C5—H5B | 114.2 | C11—C12—H12A | 108.9 |
C4'—C5—H5B | 133.5 | N2—C12—H12B | 108.9 |
C2—C5—H5B | 113.4 | C11—C12—H12B | 108.9 |
H5A—C5—H5B | 110.8 | H12A—C12—H12B | 107.8 |
C4—C5—H5C | 129.8 | H6A—O6—H6B | 110 (3) |
C4'—C5—H5C | 113.5 | H7C—O7—H7D | 114 (4) |
C2—C5—H5C | 113.6 | H8C—O8—H8D | 105 (3) |
| | | |
O3—Pt1—O1—C1 | −40.4 (3) | Pt1—O3—C6—C2 | −1.1 (6) |
N1—Pt1—O1—C1 | −153 (6) | C1—C2—C6—O4 | 120.0 (4) |
N2—Pt1—O1—C1 | 141.2 (3) | C3—C2—C6—O4 | −12.9 (5) |
O1—Pt1—O3—C6 | 42.6 (4) | C5—C2—C6—O4 | −111.1 (4) |
N1—Pt1—O3—C6 | −139.3 (4) | C1—C2—C6—O3 | −57.2 (5) |
N2—Pt1—O3—C6 | 156 (12) | C3—C2—C6—O3 | 169.9 (4) |
Pt1—O1—C1—O2 | 177.3 (3) | C5—C2—C6—O3 | 71.7 (5) |
Pt1—O1—C1—C2 | −2.5 (5) | O1—Pt1—N1—C7 | −50 (7) |
O2—C1—C2—C6 | −120.3 (4) | O3—Pt1—N1—C7 | −162.1 (3) |
O1—C1—C2—C6 | 59.4 (4) | N2—Pt1—N1—C7 | 16.3 (3) |
O2—C1—C2—C3 | 11.2 (5) | O1—Pt1—N2—C12 | 68.7 (4) |
O1—C1—C2—C3 | −169.1 (3) | O3—Pt1—N2—C12 | −45 (12) |
O2—C1—C2—C5 | 111.8 (4) | N1—Pt1—N2—C12 | −109.4 (4) |
O1—C1—C2—C5 | −68.4 (4) | O1—Pt1—N2—C9 | −50.0 (4) |
C1—C2—C3—C4' | 133.8 (7) | O3—Pt1—N2—C9 | −163 (12) |
C6—C2—C3—C4' | −96.6 (8) | N1—Pt1—N2—C9 | 131.9 (4) |
C5—C2—C3—C4' | 17.3 (7) | O1—Pt1—N2—C8 | −169.5 (2) |
C1—C2—C3—C4 | 113.3 (9) | O3—Pt1—N2—C8 | 77 (12) |
C6—C2—C3—C4 | −117.1 (9) | N1—Pt1—N2—C8 | 12.4 (2) |
C5—C2—C3—C4 | −3.2 (9) | Pt1—N1—C7—C8 | −42.0 (4) |
C4'—C3—C4—C5 | −82.3 (13) | N1—C7—C8—N2 | 54.3 (5) |
C2—C3—C4—C5 | 3.3 (9) | C12—N2—C8—C7 | 82.6 (5) |
C4—C3—C4'—C5 | 77.1 (13) | C9—N2—C8—C7 | −158.7 (4) |
C2—C3—C4'—C5 | −17.5 (7) | Pt1—N2—C8—C7 | −38.7 (4) |
C3—C4—C5—C4' | 77.6 (14) | C12—N2—C9—C10 | 52.1 (6) |
C3—C4—C5—C2 | −3.2 (9) | C8—N2—C9—C10 | −69.7 (5) |
C3—C4'—C5—C4 | −81.6 (13) | Pt1—N2—C9—C10 | 173.4 (3) |
C3—C4'—C5—C2 | 17.3 (7) | C11—O5—C10—C9 | 60.6 (5) |
C1—C2—C5—C4 | −115.2 (9) | N2—C9—C10—O5 | −58.8 (5) |
C6—C2—C5—C4 | 118.4 (9) | C10—O5—C11—C12 | −59.4 (5) |
C3—C2—C5—C4 | 3.2 (9) | C9—N2—C12—C11 | −50.8 (6) |
C1—C2—C5—C4' | −135.4 (7) | C8—N2—C12—C11 | 69.9 (5) |
C6—C2—C5—C4' | 98.1 (7) | Pt1—N2—C12—C11 | −171.9 (3) |
C3—C2—C5—C4' | −17.0 (7) | O5—C11—C12—N2 | 56.5 (6) |
Pt1—O3—C6—O4 | −178.4 (3) | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O8—H8D···O2i | 0.86 (3) | 2.07 (3) | 2.864 (4) | 153 (6) |
O8—H8C···O6ii | 0.90 (3) | 1.79 (3) | 2.697 (5) | 177 (6) |
O7—H7D···O2 | 0.82 (3) | 2.07 (3) | 2.859 (5) | 161 (6) |
O7—H7C···O4iii | 0.85 (3) | 2.10 (4) | 2.885 (4) | 154 (6) |
O6—H6B···O8iv | 0.88 (2) | 1.82 (3) | 2.698 (5) | 176 (5) |
O6—H6A···O4v | 0.83 (3) | 1.91 (3) | 2.713 (4) | 163 (6) |
N1—H1A···O6vi | 0.90 | 2.00 | 2.891 (5) | 173 |
N1—H1A···O6vi | 0.90 | 2.00 | 2.891 (5) | 173 |
Symmetry codes: (i) x, y, z+1; (ii) x−1/2, y−1/2, z; (iii) x+1/2, −y+1/2, z+1/2; (iv) x+1/2, −y+1/2, z−1/2; (v) x+1, y, z+1; (vi) x−1, −y+1, z−1/2. |