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要鱼妃的鱼

木虫 (著名写手)

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应助: 5 (幼儿园)
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专业: 金属有机化学

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【现在求学or工作】：求学

【所学专业、具体方向】：金属有机化学

【研究领域】：前过渡金属有机化合物合成与性质

【擅长领域】：也没太擅长的，就是有些实战经验

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【前沿领域介绍】：
研究方向：目前主要集中在镧系金属化合物的合成，结构表征与性质研究。
制备方法：主要通过无水无氧体系制备预期的金属化合物

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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
--------------------------------------------------------------------------------
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

--------------------------------------------------------------------------------

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
--------------------------------------------------------------------------------