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Acta Cryst. (2004). E60, m458-m459 [ doi:10.1107/S1600536804006439 ]
Heptacarbonylbis(![[mu]](/logos/entities/mu_rmgif.gif)
3-![[eta]](/logos/entities/eta_rmgif.gif)
2-diphenylacetylene)(5-pentamethylcyclopentadienyl)triiridiumtungsten
A. C. Willis, G. T. Dalton and M. G. Humphrey
Online 27 March 2004
Key indicators
- Single-crystal X-ray study
- T = 200 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.012 Å
- R factor = 0.022
- wR factor = 0.025
- Data-to-parameter ratio = 10.2
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.81 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir1 - C11 .. 5.41 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir2 - C22 .. 5.45 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir3 - C32 .. 5.26 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) W4 - C41 .. 5.99 su
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C101
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C201
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C301
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C401
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C501
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 149
IR2 -W4 -C41 -O41 -177.60 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 325
O11 -C11 -IR1 -C12 -174.40 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 326
O11 -C11 -IR1 -C50 75.10 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 327
O11 -C11 -IR1 -C60 56.10 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 328
O12 -C12 -IR1 -C11 -82.40 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 329
O12 -C12 -IR1 -C50 60.70 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 330
O12 -C12 -IR1 -C60 32.50 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 331
O21 -C21 -IR2 -C22 82.00 8.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 332
O21 -C21 -IR2 -C50 -17.00 8.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 333
O21 -C21 -IR2 -C70 173.00 8.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 334
O22 -C22 -IR2 -C21 142.00 8.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 335
O22 -C22 -IR2 -C50 -117.00 8.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 336
O22 -C22 -IR2 -C70 31.00 8.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 337
O31 -C31 -IR3 -C32 -121.00 10.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 338
O31 -C31 -IR3 -C60 -27.00 10.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 339
O31 -C31 -IR3 -C80 142.00 10.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 340
O32 -C32 -IR3 -C31 138.00 9.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 341
O32 -C32 -IR3 -C60 36.00 9.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 342
O32 -C32 -IR3 -C80 -112.00 9.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 343
O41 -C41 -W4 -C1 -33.40 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 344
O41 -C41 -W4 -C2 -0.30 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 345
O41 -C41 -W4 -C3 23.00 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 346
O41 -C41 -W4 -C4 7.40 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 347
O41 -C41 -W4 -C5 -34.20 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 348
O41 -C41 -W4 -C70 121.50 0.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 349
O41 -C41 -W4 -C80 125.00 0.10 1.555 1.555 1.555 1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 15
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
39 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
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
33 ALERT type 4 Improvement, methodology, query or suggestion
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