Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (O-N) = 0.001 Å
- R factor = 0.019
- wR factor = 0.061
- Data-to-parameter ratio = 10.5
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT431_ALERT_2_A Short Inter HL..A Contact F1 .. N1 .. 2.50 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_A Short Inter HL..A Contact F2 .. N1 .. 2.48 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_A Short Inter HL..A Contact F5 .. N1 .. 2.47 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_A Short Inter HL..A Contact F6 .. N1 .. 2.48 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
Alert level B
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ?
PLAT431_ALERT_2_B Short Inter HL..A Contact F2 .. O2 .. 2.68 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_B Short Inter HL..A Contact F5 .. O1 .. 2.68 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_B Short Inter HL..A Contact F6 .. O2 .. 2.67 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ?
PLAT431_ALERT_2_C Short Inter HL..A Contact F1 .. O1 .. 2.72 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F1 .. O2 .. 2.76 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F1 .. O2 .. 2.79 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F2 .. O1 .. 2.76 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F2 .. O1 .. 2.78 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F2 .. O1 .. 2.90 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F5 .. O2 .. 2.75 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F5 .. O2 .. 2.96 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT431_ALERT_2_C Short Inter HL..A Contact F6 .. O1 .. 2.76 Ang.
| Author Response: Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F2 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F5 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
PROBLEM: Short Inter HL..A Contact F6 .. N1 .. 2.50 Ang.
RESPONSE: Bonding interaction between cation and anion
Bonding interaction between cation and anion
|
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
N O2
4 ALERT level A = In general: serious problem
4 ALERT level B = Potentially serious problem
12 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
17 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check