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小木虫(金币+0.5):给个红包，谢谢回帖
You have not supplied any structure factors. As a result the full set of tests cannot be run.
No syntax errors found. CIF dictionaryPlease wait while processing .... Interpreting this reportDatablock: b
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Bond precision: C-C = 0.0070 A Wavelength=0.71073
Cell: a=8.924(2) b=11.653(3) c=12.108(3)
alpha=75.218(4) beta=81.164(4) gamma=70.778(3)
Temperature: 298 K
Calculated Reported
Volume 1146.2(5) 1146.3(5)
Space group P -1 P-1
Hall group -P 1 ?
Moiety formula C42 H32 Cl2 Cu N8 O8, 2(C2 H3 N) ?
Sum formula C46 H38 Cl2 Cu N10 O8 C46 H38 Cl2 Cu N10 O8
Mr 993.31 993.30
Dx,g cm-3 1.439 1.439
Z 1 1
Mu (mm-1) 0.658 0.658
F000 511.0 511.0
F000' 511.81
h,k,lmax 10,13,14 10,13,14
Nref 4039 3969
Tmin,Tmax 0.821,0.877 0.827,0.880
Tmin' 0.821
Correction method= NONE
Data completeness= 0.983 Theta(max)= 25.000
R(reflections)= 0.0610( 2640) wR2(reflections)= 0.1760( 3969)
S = 1.060 Npar= 305
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The following ALERTS were generated. Each ALERT has the format
test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.
--------------------------------------------------------------------------------Alert level B
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O3
PLAT410_ALERT_2_B Short Intra H...H Contact H12 .. H15 .. 1.83 Ang.
--------------------------------------------------------------------------------Alert level C
ABSTY03_ALERT_1_C The _exptl_absorpt_correction_type has been given as none.
However values have been given for Tmin and Tmax. Remove
these if an absorption correction has not been applied.
From the CIF: _exptl_absorpt_correction_T_min 0.827
From the CIF: _exptl_absorpt_correction_T_max 0.880
PLAT213_ALERT_2_C Atom O6 has ADP max/min Ratio ..... 3.2 prola
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cu1
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C23
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0070 Ang
--------------------------------------------------------------------------------Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ?
PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ?
PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ?
PLAT196_ALERT_1_G Missing _cell_measurement_theta_min datum .... ?
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.29
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radiation using ω-scan mode. Empirical