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Acta Cryst. (2005). E61, m1166-m1168 [ doi:10.1107/S1600536805015369 ]
Carbonyl(![[eta]](/logos/entities/eta_rmgif.gif)
5-cyclopentadienyl)(isocyanotriphenylborato-![[kappa]](/logos/entities/kappa_rmgif.gif)
C)(triphenylphosphine-P)iron(II)
Online 21 May 2005
Key indicators
- Single-crystal X-ray study
- T = 203 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.005 Å
- R factor = 0.070
- wR factor = 0.116
- Data-to-parameter ratio = 18.2
checkCIF/PLATON results
No syntax errors found
Alert level C
ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
Tmin and Tmax reported: 0.755 0.975
Tmin' and Tmax expected: 0.888 0.975
RR' = 0.850
Please check that your absorption correction is appropriate.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.85
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.08 Ratio
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.76 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe1 - C6 .. 6.31 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe1 - C7 .. 7.25 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe2 - C49 .. 5.04 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe2 - C50 .. 6.96 su
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C1
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe1
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 47.00 A 3
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 118
C7 -FE1 -C6 -O1 -82.00 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 ... # 119
C1 -FE1 -C6 -O1 41.00 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 ... # 120
C5 -FE1 -C6 -O1 78.00 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 ... # 121
C2 -FE1 -C6 -O1 10.00 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 ... # 122
C4 -FE1 -C6 -O1 88.00 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 ... # 123
C3 -FE1 -C6 -O1 19.00 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 ... # 124
B1 -N1 -C7 -FE1 -26.00 5.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 125
C6 -FE1 -C7 -N1 73.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 126
C1 -FE1 -C7 -N1 -16.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 127
C5 -FE1 -C7 -N1 -52.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 128
C2 -FE1 -C7 -N1 -40.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 129
C4 -FE1 -C7 -N1 -98.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 130
C3 -FE1 -C7 -N1 -79.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 131
P1 -FE1 -C7 -N1 166.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 273
C50 -FE2 -C49 -O2 93.00 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 ... # 274
C46 -FE2 -C49 -O2 -67.00 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 ... # 275
C47 -FE2 -C49 -O2 -29.00 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 ... # 276
C48 -FE2 -C49 -O2 1.00 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 ... # 277
C44 -FE2 -C49 -O2 -12.00 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 ... # 278
C45 -FE2 -C49 -O2 -80.00 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 ... # 279
P2 -FE2 -C49 -O2 -173.00 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 ... # 280
B2 -N2 -C50 -FE2 -24.00 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 ... # 281
C49 -FE2 -C50 -N2 -59.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 282
C46 -FE2 -C50 -N2 64.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 283
C47 -FE2 -C50 -N2 32.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 284
C48 -FE2 -C50 -N2 57.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 285
C44 -FE2 -C50 -N2 96.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 286
C45 -FE2 -C50 -N2 115.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 287
P2 -FE2 -C50 -N2 -149.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 354
C7 -N1 -B1 -C38 157.00 2.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 355
C7 -N1 -B1 -C26 36.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 356
C7 -N1 -B1 -C32 -83.00 3.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 375
C50 -N2 -B2 -C75 -4.00 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 ... # 376
C50 -N2 -B2 -C69 -125.00 5.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 377
C50 -N2 -B2 -C81 117.00 5.00 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
49 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
11 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
35 ALERT type 4 Improvement, methodology, query or suggestion
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