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Acta Cryst. (2003). E59, i110-i111 [ doi:10.1107/S1600536803013539 ]
Online 17 July 2003
No syntax errors found ADDSYM reports no extra symmetryAlert Level A:
ABSTM_02 Alert A The ratio of Tmax/Tmin expected RT(exp) is > 1.30 An absorption correction should be applied. Tmin and Tmax expected: 0.498 0.672 RT(exp) = 1.349 REFLT_03 From the CIF: _diffrn_reflns_theta_max 25.99 From the CIF: _reflns_number_total 1234 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 1530 Completeness (_total/calc) 80.65% Alert A: < 85% complete (theta max?)Alert Level B:
CHEMS_01 Alert B The sum formula contains elements in the wrong order. H precedes Cl Sequence must be C, H, then alphabetical.Alert Level C:
PLAT_420 Alert C D-H Without Acceptor N2 - H2B ... ? General Notes
FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: H18 Cl6 In2 N6 Atom count from _chemical_formula_moiety:
2 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
1 Alert Level C = Please check
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