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Acta Cryst. (2005). E61, m1701-m1704 [ doi:10.1107/S1600536805024220 ]
trans-Chloro[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]bis(tricyclohexylphosphine)platinum(II)-trans-chloro[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2yl]bis(tricyclohexylphosphine)platinum(II) (1/1) at 120 K
Online 6 August 2005
Key indicators
- Single-crystal X-ray study
- T = 120 K
- Mean
(C-C) = 0.006 Å
- Disorder in main residue
- R factor = 0.031
- wR factor = 0.073
- Data-to-parameter ratio = 16.7
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for F4A
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for F5A
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.64 Ratio
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C24B
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C36B
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C36A
Alert level C
PLAT215_ALERT_3_C Disordered F5A has ADP max/min Ratio ....... 3.20
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.60 Ratio
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C20B
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C33B
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C35A
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C35B
| Author Response: ...
This problem which also applies to F5A and to a lesser extent to other atoms
as well is, as implied in the text of the 'publ section exptl refinement',
attibuted to the obvious and comparatively extreme disorder in the 'average'
molecule.
|
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for F6B
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C19A
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C19B
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21A
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C38A
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C39
PLAT301_ALERT_3_C Main Residue Disorder ......................... 25.00 Perc.
PLAT411_ALERT_2_C Short Inter H...H Contact H11B .. H17A .. 2.10 Ang.
PLAT412_ALERT_2_C Short Intra XH3 .. XHn H20D .. H30B .. 1.84 Ang.
2 ALERT level A = In general: serious problem
4 ALERT level B = Potentially serious problem
15 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
18 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
0 ALERT type 4 Improvement, methodology, query or suggestion
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