cis-{trans-1,2-Bis­[2-(di­phenyl­phosphino)­benz­amido]­cyclo­hexane-κ²P,P′}di­chloro­platinum(II) chloro­form trisolvate

The two P atoms in the square-planar title complex, [PtCl₂(C₄₄H₄₀N₂O₂P₂)]·3CHCl₃, adopt a cis configuration, forming a 13-membered metallacycle. The H atoms of the amide functions are oriented towards the Cl atoms, whereas the carbonyl groups interact with the solvent chloro­form mol­ecules by means of hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.036
• wR factor = 0.092
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      24.91 Deg.

Alert level B
PLAT482_ALERT_4_B Small D-H..A Angle Rep for C1     ..  O1      ..      89.00 Deg.

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.133
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.13
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        C45
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        C46
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        C47
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C14    -   C15    ...       1.53 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl6    ..  Cl9     ..       3.23 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  O1      ..       2.66 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  O2      ..       2.65 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  C1X     ..       2.82 Ang.
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........        C1X
                    H9     C1X
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........        C1X
                    C9     C1X
PLAT718_ALERT_1_C D-H..A  Unknown or Inconsistent Label ..........        C1X
                    C9     H9     C1X
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2
              C H Cl3
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3
              C H Cl3

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

   4 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
   3 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: X-AREA (Stoe & Cie, 2000); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

cis-{trans-1,2-bis[2-(diphenylphosphino)benzamido]cyclohexane- κ²P,P'}dichloroplatinum(II) chloroform trisolvate

Crystal data

[Pt(C44H40Cl2N2O2P2)]·3CHCl3	F(000) = 2600
Mr = 1314.81	Dx = 1.670 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 58409 reflections
a = 19.3200 (9) Å	θ = 24.9–0.0°
b = 11.1284 (4) Å	µ = 3.35 mm^−1
c = 25.6676 (12) Å	T = 153 K
β = 108.638 (4)°	Needle plate, colourless
V = 5229.2 (4) Å^3	0.50 × 0.27 × 0.11 mm
Z = 4

Data collection

Stoe IPDS-2 diffractometer	9068 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus'	7600 reflections with I > 2σ(I)
Plane graphite monochromator	Rint = 0.134
Detector resolution: 6.67 pixels mm^-1	θmax = 24.9°, θmin = 1.6°
rotation method scans	h = −22→22
Absorption correction: multi-scan (Blessing et al., 1995)	k = −13→13
Tmin = 0.324, Tmax = 0.692	l = −30→30
45476 measured reflections

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)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.092	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0454P)^2 + 9.7597P] where P = (Fo^2 + 2Fc^2)/3
9068 reflections	(Δ/σ)max < 0.001
586 parameters	Δρmax = 1.90 e Å^−3
0 restraints	Δρmin = −1.19 e Å^−3

Special details

Experimental. A crystal was mounted at 153 K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using Mo Kα graphite monochromated radiation. 259 frames, detector distance 140 mm.

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
C1	0.2010 (3)	0.2612 (4)	0.4937 (2)	0.0289 (11)
H1	0.2483	0.2205	0.5072	0.035*
C2	0.2104 (3)	0.3935 (5)	0.5120 (2)	0.0394 (13)
H2A	0.2454	0.4313	0.4973	0.047*
H2B	0.1641	0.4347	0.4967	0.047*
C3	0.2364 (4)	0.4082 (5)	0.5742 (2)	0.0462 (15)
H3A	0.2849	0.3744	0.5894	0.055*
H3B	0.2390	0.4929	0.5834	0.055*
C4	0.1852 (3)	0.3462 (5)	0.5988 (2)	0.0413 (14)
H4A	0.1382	0.3863	0.5870	0.050*
H4B	0.2046	0.3511	0.6386	0.050*
C5	0.1755 (3)	0.2139 (5)	0.5812 (2)	0.0370 (13)
H5A	0.2219	0.1725	0.5957	0.044*
H5B	0.1409	0.1761	0.5963	0.044*
C6	0.1481 (3)	0.2023 (4)	0.5188 (2)	0.0277 (11)
H6	0.1023	0.2475	0.5057	0.033*
C7	0.2163 (3)	0.2891 (4)	0.4035 (2)	0.0260 (11)
C8	0.1766 (2)	0.3041 (4)	0.34245 (19)	0.0226 (10)
C9	0.1751 (3)	0.4214 (4)	0.3237 (2)	0.0277 (11)
H9	0.1987	0.4816	0.3480	0.033*
C10	0.1388 (3)	0.4498 (4)	0.2692 (2)	0.0308 (11)
H10	0.1372	0.5289	0.2572	0.037*
C11	0.1049 (3)	0.3600 (4)	0.2328 (2)	0.0306 (12)
H11	0.0809	0.3784	0.1961	0.037*
C12	0.1070 (3)	0.2424 (4)	0.2510 (2)	0.0272 (11)
H12	0.0843	0.1824	0.2262	0.033*
C13	0.1425 (2)	0.2126 (4)	0.30599 (19)	0.0213 (10)
C14	0.1755 (3)	−0.0187 (4)	0.51574 (19)	0.0275 (11)
C15	0.1388 (2)	−0.1411 (4)	0.5152 (2)	0.0246 (10)
C16	0.1451 (3)	−0.1798 (5)	0.5681 (2)	0.0308 (11)
H16	0.1716	−0.1339	0.5981	0.037*
C17	0.1126 (3)	−0.2851 (5)	0.5768 (2)	0.0344 (12)
H17	0.1175	−0.3099	0.6124	0.041*
C18	0.0731 (3)	−0.3531 (5)	0.5325 (2)	0.0378 (13)
H18	0.0499	−0.4229	0.5380	0.045*
C19	0.0680 (3)	−0.3172 (4)	0.4802 (2)	0.0333 (12)
H19	0.0414	−0.3641	0.4506	0.040*
C20	0.1018 (2)	−0.2118 (4)	0.46993 (19)	0.0229 (10)
C21	0.2450 (2)	0.0417 (4)	0.36320 (19)	0.0229 (10)
C22	0.2709 (3)	0.0020 (4)	0.4171 (2)	0.0278 (11)
H22	0.2381	−0.0212	0.4351	0.033*
C23	0.3452 (3)	−0.0033 (5)	0.4444 (2)	0.0366 (13)
H23	0.3622	−0.0304	0.4805	0.044*
C24	0.3942 (3)	0.0313 (5)	0.4182 (2)	0.0381 (13)
H24	0.4441	0.0255	0.4363	0.046*
C25	0.3686 (3)	0.0747 (4)	0.3648 (2)	0.0304 (11)
H25	0.4015	0.0996	0.3473	0.036*
C26	0.2945 (2)	0.0811 (4)	0.3375 (2)	0.0259 (11)
H26	0.2776	0.1118	0.3020	0.031*
C27	0.1220 (3)	−0.0258 (4)	0.26326 (19)	0.0230 (10)
C28	0.1706 (3)	−0.0565 (4)	0.2358 (2)	0.0273 (11)
H28	0.2203	−0.0419	0.2522	0.033*
C29	0.1459 (3)	−0.1087 (5)	0.1841 (2)	0.0319 (12)
H29	0.1787	−0.1288	0.1658	0.038*
C30	0.0721 (3)	−0.1308 (5)	0.1599 (2)	0.0368 (13)
H30	0.0551	−0.1650	0.1251	0.044*
C31	0.0242 (3)	−0.1024 (5)	0.1873 (2)	0.0367 (13)
H31	−0.0253	−0.1182	0.1710	0.044*
C32	0.0484 (3)	−0.0504 (5)	0.2391 (2)	0.0299 (11)
H32	0.0154	−0.0320	0.2575	0.036*
C33	0.0306 (3)	−0.2831 (4)	0.35612 (19)	0.0244 (10)
C34	−0.0385 (3)	−0.2431 (4)	0.3259 (2)	0.0277 (11)
H34	−0.0494	−0.1615	0.3248	0.033*
C35	−0.0911 (3)	−0.3244 (5)	0.2974 (2)	0.0365 (13)
H35	−0.1378	−0.2975	0.2779	0.044*
C36	−0.0746 (3)	−0.4453 (5)	0.2977 (2)	0.0379 (13)
H36	−0.1103	−0.4998	0.2788	0.046*
C37	−0.0057 (3)	−0.4847 (5)	0.3261 (2)	0.0398 (14)
H37	0.0055	−0.5659	0.3260	0.048*
C38	0.0472 (3)	−0.4047 (4)	0.3549 (2)	0.0317 (12)
H38	0.0941	−0.4319	0.3736	0.038*
C39	0.1847 (3)	−0.2460 (4)	0.3962 (2)	0.0268 (11)
C40	0.2392 (3)	−0.2867 (4)	0.4424 (2)	0.0317 (12)
H40	0.2326	−0.2840	0.4767	0.038*
C41	0.3036 (3)	−0.3313 (5)	0.4372 (3)	0.0399 (14)
H41	0.3397	−0.3606	0.4680	0.048*
C42	0.3146 (3)	−0.3325 (5)	0.3869 (3)	0.0381 (14)
H42	0.3589	−0.3594	0.3841	0.046*
C43	0.2606 (3)	−0.2943 (4)	0.3409 (2)	0.0340 (12)
H43	0.2681	−0.2958	0.3069	0.041*
C44	0.1952 (3)	−0.2537 (4)	0.3449 (2)	0.0269 (11)
H44	0.1578	−0.2312	0.3134	0.032*
C45	−0.1603 (4)	0.0863 (6)	0.2780 (3)	0.0599 (19)
H45	−0.1145	0.0878	0.3088	0.072*
C46	0.3664 (4)	−0.1420 (6)	0.6132 (3)	0.0603 (19)
H46	0.3264	−0.0921	0.5904	0.072*
C47	0.4197 (4)	0.3047 (6)	0.5294 (3)	0.0523 (16)
H47	0.3759	0.2980	0.4971	0.063*
N1	0.1746 (2)	0.2562 (3)	0.43357 (16)	0.0260 (9)
H1N	0.1310	0.2312	0.4172	0.031*
N2	0.1300 (2)	0.0746 (3)	0.50271 (16)	0.0256 (9)
H2N	0.0856	0.0595	0.4830	0.031*
O1	0.28204 (18)	0.3126 (3)	0.42277 (14)	0.0319 (8)
O2	0.24200 (19)	−0.0091 (3)	0.53219 (16)	0.0371 (9)
P1	0.14720 (6)	0.05542 (10)	0.32844 (5)	0.0208 (3)
P2	0.09921 (7)	−0.18090 (10)	0.39940 (5)	0.0217 (3)
Cl1	−0.02269 (6)	−0.02111 (10)	0.41598 (5)	0.0265 (3)
Cl2	0.01068 (6)	0.19747 (10)	0.34761 (6)	0.0313 (3)
Cl3	−0.22484 (13)	−0.00530 (19)	0.29660 (10)	0.0873 (7)
Cl4	−0.19533 (10)	0.23145 (15)	0.26676 (8)	0.0638 (5)
Cl5	−0.14425 (14)	0.0236 (3)	0.22188 (10)	0.1095 (10)
Cl6	0.41783 (13)	−0.1970 (2)	0.57361 (8)	0.0876 (7)
Cl7	0.33118 (11)	−0.2568 (2)	0.64363 (12)	0.0959 (8)
Cl8	0.42580 (19)	−0.0540 (3)	0.66502 (10)	0.1154 (10)
Cl9	0.49579 (12)	0.2810 (3)	0.50893 (10)	0.1034 (9)
Cl10	0.42135 (13)	0.44896 (19)	0.55826 (10)	0.0854 (6)
Cl11	0.41560 (13)	0.1954 (2)	0.57718 (9)	0.0806 (6)
Pt1	0.067827 (9)	0.010584 (14)	0.374085 (7)	0.01984 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.031 (3)	0.029 (3)	0.026 (3)	−0.004 (2)	0.008 (2)	−0.003 (2)
C2	0.062 (4)	0.023 (3)	0.036 (3)	−0.011 (3)	0.019 (3)	−0.007 (2)
C3	0.067 (4)	0.035 (3)	0.039 (3)	−0.018 (3)	0.019 (3)	−0.015 (3)
C4	0.050 (3)	0.042 (3)	0.036 (3)	−0.013 (3)	0.020 (3)	−0.011 (3)
C5	0.045 (3)	0.038 (3)	0.033 (3)	−0.016 (2)	0.020 (3)	−0.005 (2)
C6	0.033 (3)	0.022 (2)	0.030 (3)	−0.006 (2)	0.013 (2)	−0.006 (2)
C7	0.036 (3)	0.016 (2)	0.028 (3)	−0.001 (2)	0.013 (2)	−0.0042 (19)
C8	0.019 (2)	0.022 (2)	0.028 (3)	0.0004 (18)	0.009 (2)	0.0029 (19)
C9	0.030 (3)	0.023 (2)	0.031 (3)	0.000 (2)	0.012 (2)	−0.004 (2)
C10	0.036 (3)	0.022 (2)	0.038 (3)	0.000 (2)	0.017 (2)	0.005 (2)
C11	0.032 (3)	0.028 (3)	0.030 (3)	0.002 (2)	0.008 (2)	0.009 (2)
C12	0.029 (3)	0.024 (2)	0.028 (3)	−0.002 (2)	0.008 (2)	−0.001 (2)
C13	0.020 (2)	0.019 (2)	0.028 (3)	−0.0016 (18)	0.013 (2)	0.0007 (19)
C14	0.030 (3)	0.036 (3)	0.018 (2)	−0.005 (2)	0.008 (2)	−0.002 (2)
C15	0.020 (2)	0.025 (2)	0.029 (3)	0.0068 (19)	0.008 (2)	0.003 (2)
C16	0.032 (3)	0.033 (3)	0.028 (3)	0.003 (2)	0.011 (2)	−0.002 (2)
C17	0.043 (3)	0.035 (3)	0.032 (3)	0.011 (2)	0.021 (3)	0.009 (2)
C18	0.049 (3)	0.027 (3)	0.042 (3)	−0.001 (2)	0.021 (3)	0.009 (2)
C19	0.041 (3)	0.027 (3)	0.034 (3)	−0.005 (2)	0.015 (2)	0.001 (2)
C20	0.023 (2)	0.023 (2)	0.024 (2)	0.0051 (19)	0.008 (2)	0.0030 (19)
C21	0.026 (2)	0.017 (2)	0.028 (3)	−0.0020 (19)	0.012 (2)	−0.0022 (19)
C22	0.029 (3)	0.025 (3)	0.029 (3)	−0.005 (2)	0.009 (2)	0.000 (2)
C23	0.035 (3)	0.035 (3)	0.034 (3)	−0.002 (2)	0.002 (2)	0.007 (2)
C24	0.022 (3)	0.033 (3)	0.049 (3)	−0.003 (2)	−0.003 (2)	−0.001 (3)
C25	0.025 (3)	0.029 (3)	0.040 (3)	−0.003 (2)	0.015 (2)	−0.006 (2)
C26	0.024 (2)	0.028 (3)	0.023 (2)	−0.001 (2)	0.004 (2)	−0.002 (2)
C27	0.027 (2)	0.018 (2)	0.025 (2)	0.0015 (19)	0.010 (2)	0.0027 (19)
C28	0.023 (2)	0.027 (3)	0.031 (3)	−0.003 (2)	0.007 (2)	−0.003 (2)
C29	0.032 (3)	0.033 (3)	0.033 (3)	−0.001 (2)	0.013 (2)	−0.009 (2)
C30	0.044 (3)	0.037 (3)	0.030 (3)	−0.008 (2)	0.012 (3)	−0.010 (2)
C31	0.024 (3)	0.047 (3)	0.036 (3)	−0.004 (2)	0.004 (2)	−0.013 (3)
C32	0.025 (3)	0.038 (3)	0.027 (3)	−0.003 (2)	0.009 (2)	−0.007 (2)
C33	0.027 (3)	0.020 (2)	0.027 (3)	−0.0032 (19)	0.011 (2)	−0.0002 (19)
C34	0.030 (3)	0.024 (2)	0.028 (3)	−0.003 (2)	0.007 (2)	−0.004 (2)
C35	0.024 (3)	0.043 (3)	0.039 (3)	−0.005 (2)	0.005 (2)	−0.007 (2)
C36	0.033 (3)	0.033 (3)	0.044 (3)	−0.012 (2)	0.008 (3)	−0.012 (2)
C37	0.052 (4)	0.022 (3)	0.047 (3)	−0.007 (2)	0.018 (3)	−0.006 (2)
C38	0.032 (3)	0.022 (3)	0.039 (3)	0.000 (2)	0.010 (2)	0.000 (2)
C39	0.023 (2)	0.018 (2)	0.038 (3)	−0.0022 (19)	0.009 (2)	−0.003 (2)
C40	0.029 (3)	0.030 (3)	0.035 (3)	0.002 (2)	0.009 (2)	0.000 (2)
C41	0.025 (3)	0.039 (3)	0.050 (4)	0.008 (2)	0.004 (3)	0.001 (3)
C42	0.022 (3)	0.031 (3)	0.062 (4)	0.000 (2)	0.015 (3)	−0.010 (3)
C43	0.036 (3)	0.024 (3)	0.050 (3)	−0.004 (2)	0.025 (3)	−0.007 (2)
C44	0.035 (3)	0.020 (2)	0.028 (3)	−0.002 (2)	0.014 (2)	0.000 (2)
C45	0.046 (4)	0.054 (4)	0.065 (5)	0.009 (3)	−0.004 (3)	−0.014 (3)
C46	0.059 (4)	0.064 (4)	0.059 (4)	0.018 (3)	0.021 (4)	0.022 (3)
C47	0.046 (4)	0.060 (4)	0.046 (4)	−0.010 (3)	0.008 (3)	−0.001 (3)
N1	0.030 (2)	0.023 (2)	0.024 (2)	−0.0068 (17)	0.0073 (18)	−0.0063 (17)
N2	0.027 (2)	0.025 (2)	0.023 (2)	−0.0037 (17)	0.0056 (18)	−0.0011 (17)
O1	0.0262 (19)	0.0344 (19)	0.032 (2)	−0.0067 (15)	0.0057 (16)	−0.0051 (15)
O2	0.027 (2)	0.042 (2)	0.040 (2)	−0.0029 (16)	0.0076 (17)	0.0014 (17)
P1	0.0223 (6)	0.0185 (6)	0.0226 (6)	−0.0011 (5)	0.0086 (5)	−0.0006 (5)
P2	0.0223 (6)	0.0179 (6)	0.0252 (6)	−0.0005 (5)	0.0082 (5)	0.0011 (5)
Cl1	0.0235 (6)	0.0264 (6)	0.0332 (6)	−0.0015 (5)	0.0144 (5)	−0.0005 (5)
Cl2	0.0268 (6)	0.0216 (6)	0.0478 (8)	0.0059 (5)	0.0153 (6)	0.0079 (5)
Cl3	0.0827 (15)	0.0744 (14)	0.0844 (15)	−0.0277 (11)	−0.0020 (12)	0.0043 (11)
Cl4	0.0539 (10)	0.0514 (10)	0.0743 (12)	0.0068 (8)	0.0039 (9)	−0.0007 (8)
Cl5	0.0788 (15)	0.165 (3)	0.0718 (14)	0.0568 (16)	0.0054 (12)	−0.0338 (15)
Cl6	0.0993 (16)	0.1125 (17)	0.0544 (11)	0.0597 (14)	0.0294 (11)	0.0272 (11)
Cl7	0.0502 (11)	0.1010 (17)	0.135 (2)	0.0094 (11)	0.0280 (12)	0.0484 (15)
Cl8	0.175 (3)	0.1030 (19)	0.0636 (14)	−0.0216 (19)	0.0311 (16)	−0.0032 (13)
Cl9	0.0576 (12)	0.166 (3)	0.0958 (18)	−0.0275 (14)	0.0372 (12)	−0.0362 (17)
Cl10	0.0928 (16)	0.0622 (12)	0.0967 (16)	−0.0186 (11)	0.0240 (13)	−0.0119 (11)
Cl11	0.0899 (15)	0.0757 (13)	0.0701 (13)	−0.0041 (11)	0.0168 (11)	0.0174 (10)
Pt1	0.01984 (11)	0.01687 (11)	0.02382 (11)	−0.00016 (7)	0.00840 (8)	−0.00007 (7)

Geometric parameters (Å, º)

C1—N1	1.462 (6)	C25—H25	0.9300
C1—C6	1.520 (7)	C26—H26	0.9300
C1—C2	1.539 (7)	C27—C32	1.384 (7)
C1—H1	0.9800	C27—C28	1.384 (7)
C2—C3	1.520 (8)	C27—P1	1.826 (5)
C2—H2A	0.9700	C28—C29	1.387 (7)
C2—H2B	0.9700	C28—H28	0.9300
C3—C4	1.501 (8)	C29—C30	1.383 (7)
C3—H3A	0.9700	C29—H29	0.9300
C3—H3B	0.9700	C30—C31	1.365 (8)
C4—C5	1.534 (8)	C30—H30	0.9300
C4—H4A	0.9700	C31—C32	1.388 (7)
C4—H4B	0.9700	C31—H31	0.9300
C5—C6	1.523 (7)	C32—H32	0.9300
C5—H5A	0.9700	C33—C34	1.385 (7)
C5—H5B	0.9700	C33—C38	1.393 (7)
C6—N2	1.490 (6)	C33—P2	1.828 (5)
C6—H6	0.9800	C34—C35	1.383 (7)
C7—O1	1.235 (6)	C34—H34	0.9300
C7—N1	1.332 (6)	C35—C36	1.382 (8)
C7—C8	1.518 (7)	C35—H35	0.9300
C8—C9	1.388 (7)	C36—C37	1.370 (8)
C8—C13	1.398 (6)	C36—H36	0.9300
C9—C10	1.387 (7)	C37—C38	1.378 (7)
C9—H9	0.9300	C37—H37	0.9300
C10—C11	1.382 (7)	C38—H38	0.9300
C10—H10	0.9300	C39—C40	1.386 (7)
C11—C12	1.385 (7)	C39—C44	1.397 (7)
C11—H11	0.9300	C39—P2	1.828 (5)
C12—C13	1.398 (7)	C40—C41	1.384 (7)
C12—H12	0.9300	C40—H40	0.9300
C13—P1	1.834 (4)	C41—C42	1.375 (8)
C14—O2	1.222 (6)	C41—H41	0.9300
C14—N2	1.332 (6)	C42—C43	1.370 (8)
C14—C15	1.534 (7)	C42—H42	0.9300
C15—C16	1.393 (7)	C43—C44	1.377 (7)
C15—C20	1.396 (7)	C43—H43	0.9300
C16—C17	1.381 (7)	C44—H44	0.9300
C16—H16	0.9300	C45—Cl5	1.717 (8)
C17—C18	1.376 (8)	C45—Cl4	1.739 (7)
C17—H17	0.9300	C45—Cl3	1.789 (8)
C18—C19	1.374 (7)	C45—H45	0.9800
C18—H18	0.9300	C46—Cl6	1.744 (7)
C19—C20	1.407 (7)	C46—Cl7	1.745 (7)
C19—H19	0.9300	C46—Cl8	1.752 (8)
C20—P2	1.828 (5)	C46—H46	0.9800
C21—C22	1.385 (7)	C47—Cl9	1.731 (7)
C21—C26	1.394 (7)	C47—Cl11	1.748 (7)
C21—P1	1.820 (5)	C47—Cl10	1.764 (7)
C22—C23	1.383 (7)	C47—H47	0.9800
C22—H22	0.9300	N1—H1N	0.8600
C23—C24	1.378 (8)	N2—H2N	0.8600
C23—H23	0.9300	P1—Pt1	2.2631 (12)
C24—C25	1.387 (8)	P2—Pt1	2.2535 (11)
C24—H24	0.9300	Cl1—Pt1	2.3540 (12)
C25—C26	1.380 (7)	Cl2—Pt1	2.3509 (11)
N1—C1—C6	112.1 (4)	C32—C27—C28	119.4 (4)
N1—C1—C2	109.0 (4)	C32—C27—P1	116.3 (4)
C6—C1—C2	108.2 (4)	C28—C27—P1	124.2 (4)
N1—C1—H1	109.1	C27—C28—C29	120.5 (5)
C6—C1—H1	109.1	C27—C28—H28	119.8
C2—C1—H1	109.1	C29—C28—H28	119.8
C3—C2—C1	113.0 (4)	C30—C29—C28	119.7 (5)
C3—C2—H2A	109.0	C30—C29—H29	120.2
C1—C2—H2A	109.0	C28—C29—H29	120.2
C3—C2—H2B	109.0	C31—C30—C29	119.9 (5)
C1—C2—H2B	109.0	C31—C30—H30	120.0
H2A—C2—H2B	107.8	C29—C30—H30	120.0
C4—C3—C2	110.7 (5)	C30—C31—C32	120.9 (5)
C4—C3—H3A	109.5	C30—C31—H31	119.6
C2—C3—H3A	109.5	C32—C31—H31	119.6
C4—C3—H3B	109.5	C27—C32—C31	119.7 (5)
C2—C3—H3B	109.5	C27—C32—H32	120.2
H3A—C3—H3B	108.1	C31—C32—H32	120.2
C3—C4—C5	110.5 (5)	C34—C33—C38	119.1 (4)
C3—C4—H4A	109.5	C34—C33—P2	121.5 (4)
C5—C4—H4A	109.5	C38—C33—P2	119.4 (4)
C3—C4—H4B	109.5	C35—C34—C33	120.0 (5)
C5—C4—H4B	109.5	C35—C34—H34	120.0
H4A—C4—H4B	108.1	C33—C34—H34	120.0
C6—C5—C4	111.2 (5)	C36—C35—C34	120.3 (5)
C6—C5—H5A	109.4	C36—C35—H35	119.9
C4—C5—H5A	109.4	C34—C35—H35	119.9
C6—C5—H5B	109.4	C37—C36—C35	119.8 (5)
C4—C5—H5B	109.4	C37—C36—H36	120.1
H5A—C5—H5B	108.0	C35—C36—H36	120.1
N2—C6—C1	115.1 (4)	C36—C37—C38	120.4 (5)
N2—C6—C5	110.2 (4)	C36—C37—H37	119.8
C1—C6—C5	110.7 (4)	C38—C37—H37	119.8
N2—C6—H6	106.8	C37—C38—C33	120.2 (5)
C1—C6—H6	106.8	C37—C38—H38	119.9
C5—C6—H6	106.8	C33—C38—H38	119.9
O1—C7—N1	124.1 (5)	C40—C39—C44	119.0 (5)
O1—C7—C8	120.4 (4)	C40—C39—P2	122.9 (4)
N1—C7—C8	115.4 (4)	C44—C39—P2	118.1 (4)
C9—C8—C13	120.0 (4)	C41—C40—C39	119.8 (5)
C9—C8—C7	114.1 (4)	C41—C40—H40	120.1
C13—C8—C7	125.8 (4)	C39—C40—H40	120.1
C10—C9—C8	120.7 (5)	C42—C41—C40	120.4 (5)
C10—C9—H9	119.6	C42—C41—H41	119.8
C8—C9—H9	119.6	C40—C41—H41	119.8
C11—C10—C9	119.7 (5)	C43—C42—C41	120.2 (5)
C11—C10—H10	120.2	C43—C42—H42	119.9
C9—C10—H10	120.2	C41—C42—H42	119.9
C10—C11—C12	119.9 (5)	C42—C43—C44	120.1 (5)
C10—C11—H11	120.1	C42—C43—H43	119.9
C12—C11—H11	120.1	C44—C43—H43	119.9
C11—C12—C13	121.1 (4)	C43—C44—C39	120.3 (5)
C11—C12—H12	119.4	C43—C44—H44	119.9
C13—C12—H12	119.4	C39—C44—H44	119.9
C8—C13—C12	118.5 (4)	Cl5—C45—Cl4	113.7 (4)
C8—C13—P1	121.3 (3)	Cl5—C45—Cl3	108.7 (4)
C12—C13—P1	120.2 (3)	Cl4—C45—Cl3	107.9 (4)
O2—C14—N2	123.8 (5)	Cl5—C45—H45	108.8
O2—C14—C15	120.9 (4)	Cl4—C45—H45	108.8
N2—C14—C15	115.0 (4)	Cl3—C45—H45	108.8
C16—C15—C20	119.9 (4)	Cl6—C46—Cl7	112.4 (4)
C16—C15—C14	111.7 (4)	Cl6—C46—Cl8	106.4 (4)
C20—C15—C14	128.4 (4)	Cl7—C46—Cl8	108.9 (4)
C17—C16—C15	121.3 (5)	Cl6—C46—H46	109.7
C17—C16—H16	119.4	Cl7—C46—H46	109.7
C15—C16—H16	119.4	Cl8—C46—H46	109.7
C18—C17—C16	119.6 (5)	Cl9—C47—Cl11	109.9 (4)
C18—C17—H17	120.2	Cl9—C47—Cl10	111.3 (4)
C16—C17—H17	120.2	Cl11—C47—Cl10	109.7 (4)
C19—C18—C17	119.6 (5)	Cl9—C47—H47	108.6
C19—C18—H18	120.2	Cl11—C47—H47	108.6
C17—C18—H18	120.2	Cl10—C47—H47	108.6
C18—C19—C20	122.2 (5)	C7—N1—C1	122.0 (4)
C18—C19—H19	118.9	C7—N1—H1N	119.0
C20—C19—H19	118.9	C1—N1—H1N	119.0
C15—C20—C19	117.3 (4)	C14—N2—C6	126.5 (4)
C15—C20—P2	124.2 (4)	C14—N2—H2N	116.7
C19—C20—P2	118.4 (4)	C6—N2—H2N	116.7
C22—C21—C26	119.3 (4)	C21—P1—C27	109.8 (2)
C22—C21—P1	120.2 (4)	C21—P1—C13	100.0 (2)
C26—C21—P1	120.2 (4)	C27—P1—C13	102.2 (2)
C23—C22—C21	120.3 (5)	C21—P1—Pt1	119.79 (16)
C23—C22—H22	119.9	C27—P1—Pt1	109.82 (16)
C21—C22—H22	119.9	C13—P1—Pt1	113.52 (15)
C24—C23—C22	120.3 (5)	C20—P2—C33	105.7 (2)
C24—C23—H23	119.8	C20—P2—C39	103.3 (2)
C22—C23—H23	119.8	C33—P2—C39	102.5 (2)
C23—C24—C25	119.7 (5)	C20—P2—Pt1	112.54 (15)
C23—C24—H24	120.2	C33—P2—Pt1	109.69 (16)
C25—C24—H24	120.2	C39—P2—Pt1	121.68 (16)
C26—C25—C24	120.2 (5)	P2—Pt1—P1	101.15 (4)
C26—C25—H25	119.9	P2—Pt1—Cl2	167.98 (4)
C24—C25—H25	119.9	P1—Pt1—Cl2	89.35 (4)
C25—C26—C21	120.1 (5)	P2—Pt1—Cl1	84.11 (4)
C25—C26—H26	120.0	P1—Pt1—Cl1	174.15 (4)
C21—C26—H26	120.0	Cl2—Pt1—Cl1	85.17 (4)
N1—C1—C2—C3	178.9 (5)	P2—C39—C40—C41	−177.8 (4)
C6—C1—C2—C3	56.7 (6)	C39—C40—C41—C42	1.7 (8)
C1—C2—C3—C4	−56.3 (7)	C40—C41—C42—C43	−2.8 (8)
C2—C3—C4—C5	54.8 (7)	C41—C42—C43—C44	0.5 (8)
C3—C4—C5—C6	−56.9 (7)	C42—C43—C44—C39	2.9 (7)
N1—C1—C6—N2	56.8 (6)	C40—C39—C44—C43	−3.9 (7)
C2—C1—C6—N2	177.1 (4)	P2—C39—C44—C43	175.6 (4)
N1—C1—C6—C5	−177.5 (4)	O1—C7—N1—C1	8.9 (7)
C2—C1—C6—C5	−57.2 (6)	C8—C7—N1—C1	−167.5 (4)
C4—C5—C6—N2	−172.7 (4)	C6—C1—N1—C7	−171.6 (4)
C4—C5—C6—C1	58.8 (6)	C2—C1—N1—C7	68.5 (6)
O1—C7—C8—C9	−62.6 (6)	O2—C14—N2—C6	−17.2 (8)
N1—C7—C8—C9	113.9 (5)	C15—C14—N2—C6	156.0 (4)
O1—C7—C8—C13	118.2 (5)	C1—C6—N2—C14	66.5 (6)
N1—C7—C8—C13	−65.3 (6)	C5—C6—N2—C14	−59.5 (6)
C13—C8—C9—C10	1.4 (7)	C22—C21—P1—C27	−127.3 (4)
C7—C8—C9—C10	−177.9 (5)	C26—C21—P1—C27	58.5 (4)
C8—C9—C10—C11	−1.4 (8)	C22—C21—P1—C13	125.7 (4)
C9—C10—C11—C12	0.6 (8)	C26—C21—P1—C13	−48.5 (4)
C10—C11—C12—C13	0.3 (8)	C22—C21—P1—Pt1	1.1 (4)
C9—C8—C13—C12	−0.5 (7)	C26—C21—P1—Pt1	−173.1 (3)
C7—C8—C13—C12	178.7 (4)	C32—C27—P1—C21	163.7 (4)
C9—C8—C13—P1	176.9 (4)	C28—C27—P1—C21	−20.5 (5)
C7—C8—C13—P1	−3.9 (7)	C32—C27—P1—C13	−90.8 (4)
C11—C12—C13—C8	−0.4 (7)	C28—C27—P1—C13	85.0 (4)
C11—C12—C13—P1	−177.8 (4)	C32—C27—P1—Pt1	30.0 (4)
O2—C14—C15—C16	71.4 (6)	C28—C27—P1—Pt1	−154.2 (4)
N2—C14—C15—C16	−102.0 (5)	C8—C13—P1—C21	−49.2 (4)
O2—C14—C15—C20	−109.1 (6)	C12—C13—P1—C21	128.1 (4)
N2—C14—C15—C20	77.5 (6)	C8—C13—P1—C27	−162.2 (4)
C20—C15—C16—C17	−2.8 (7)	C12—C13—P1—C27	15.2 (4)
C14—C15—C16—C17	176.7 (5)	C8—C13—P1—Pt1	79.6 (4)
C15—C16—C17—C18	−0.2 (8)	C12—C13—P1—Pt1	−103.1 (4)
C16—C17—C18—C19	1.8 (8)	C15—C20—P2—C33	−169.7 (4)
C17—C18—C19—C20	−0.4 (8)	C19—C20—P2—C33	14.0 (4)
C16—C15—C20—C19	4.1 (7)	C15—C20—P2—C39	83.0 (4)
C14—C15—C20—C19	−175.3 (5)	C19—C20—P2—C39	−93.3 (4)
C16—C15—C20—P2	−172.2 (4)	C15—C20—P2—Pt1	−50.0 (4)
C14—C15—C20—P2	8.4 (7)	C19—C20—P2—Pt1	133.7 (4)
C18—C19—C20—C15	−2.6 (8)	C34—C33—P2—C20	103.5 (4)
C18—C19—C20—P2	173.9 (4)	C38—C33—P2—C20	−74.3 (4)
C26—C21—C22—C23	−2.8 (7)	C34—C33—P2—C39	−148.7 (4)
P1—C21—C22—C23	−177.1 (4)	C38—C33—P2—C39	33.6 (5)
C21—C22—C23—C24	0.2 (8)	C34—C33—P2—Pt1	−18.1 (5)
C22—C23—C24—C25	1.8 (8)	C38—C33—P2—Pt1	164.2 (4)
C23—C24—C25—C26	−1.3 (8)	C40—C39—P2—C20	−9.9 (5)
C24—C25—C26—C21	−1.3 (7)	C44—C39—P2—C20	170.7 (4)
C22—C21—C26—C25	3.3 (7)	C40—C39—P2—C33	−119.5 (4)
P1—C21—C26—C25	177.6 (4)	C44—C39—P2—C33	61.0 (4)
C32—C27—C28—C29	1.5 (7)	C40—C39—P2—Pt1	117.6 (4)
P1—C27—C28—C29	−174.2 (4)	C44—C39—P2—Pt1	−61.8 (4)
C27—C28—C29—C30	−0.3 (8)	C20—P2—Pt1—P1	137.81 (16)
C28—C29—C30—C31	−0.8 (8)	C33—P2—Pt1—P1	−104.87 (17)
C29—C30—C31—C32	0.6 (9)	C39—P2—Pt1—P1	14.5 (2)
C28—C27—C32—C31	−1.6 (7)	C20—P2—Pt1—Cl2	−71.7 (3)
P1—C27—C32—C31	174.4 (4)	C33—P2—Pt1—Cl2	45.6 (3)
C30—C31—C32—C27	0.6 (8)	C39—P2—Pt1—Cl2	165.0 (3)
C38—C33—C34—C35	3.4 (8)	C20—P2—Pt1—Cl1	−44.79 (17)
P2—C33—C34—C35	−174.3 (4)	C33—P2—Pt1—Cl1	72.53 (17)
C33—C34—C35—C36	−1.6 (8)	C39—P2—Pt1—Cl1	−168.1 (2)
C34—C35—C36—C37	−0.5 (9)	C21—P1—Pt1—P2	−57.43 (18)
C35—C36—C37—C38	0.8 (9)	C27—P1—Pt1—P2	70.96 (16)
C36—C37—C38—C33	1.0 (9)	C13—P1—Pt1—P2	−175.29 (17)
C34—C33—C38—C37	−3.1 (8)	C21—P1—Pt1—Cl2	128.47 (17)
P2—C33—C38—C37	174.7 (4)	C27—P1—Pt1—Cl2	−103.14 (16)
C44—C39—C40—C41	1.6 (7)	C13—P1—Pt1—Cl2	10.60 (17)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1···O1	0.98	2.66	2.814 (8)	89
C1—H1···O2	0.98	2.65	3.187 (8)	115
C2—H2A···O1	0.97	2.60	3.163 (9)	117
C22—H22···O2	0.93	2.47	3.178 (8)	133
C5—H5B···Cl1^i	0.97	2.80	3.669 (7)	150
C9—H9···C1X^ii	0.93	2.82	3.71 (1)	162
C34—H34···Cl1	0.93	2.72	3.330 (6)	124
C45—H45···Cl2	0.98	2.61	3.445 (9)	144
C46—H46···O2	0.98	2.05	3.015 (10)	170
C47—H47···O1	0.98	2.18	3.151 (9)	171
N2—H2N···Cl1	0.86	2.42	3.254 (5)	164
N1—H1N···Cl2	0.86	2.46	3.296 (5)	163

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