Alert level A
REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 25.09
From the CIF: _diffrn_reflns_theta_full 25.09
From the CIF: _reflns_number_total 4270
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 5729
Completeness (_total/calc) 74.53%
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.75
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.75
PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for Ni1
PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C2
PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for Ni2
PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C17
PLAT234_ALERT_4_A Large Hirshfeld Difference C13 -- C14 .. 0.32 Ang.
Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for O2 -- C17 .. 7.80 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni1 -- Cl1 .. 10.32 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni1 -- Cl2 .. 14.75 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni1 -- P1 .. 19.17 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni1 -- Cl2_a .. 13.27 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni2 -- Cl3 .. 16.10 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni2 -- Cl4 .. 17.47 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni2 -- P2 .. 17.83 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ni2 -- Cl3_b .. 14.63 su
PLAT341_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 23
PLAT234_ALERT_4_B Large Hirshfeld Difference C22 -- C23 .. 0.26 Ang.
Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
unk
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.257
PLAT084_ALERT_2_C High R2 Value .................................. 0.26
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C14
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C29
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1
PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O2
PLAT332_ALERT_2_C Large Phenyl C-C Range C4 -C9 0.17 Ang.
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced .......... ?
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum .... ?
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ?
PLAT234_ALERT_4_C Large Hirshfeld Difference C1 -- C2 .. 0.22 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C6 -- C7 .. 0.23 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C15 .. 0.18 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C25 -- C30 .. 0.24 Ang.
Alert level G
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.20
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
PLAT793_ALERT_4_G The Model has Chirality at P1 (Verify) .... R
8 ALERT level A = In general: serious problem 11 ALERT level B = Potentially serious problem 18 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 21 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
