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Acta Cryst. (2001). E57, m573-m575  [ doi:10.1107/S1600536801018852 ]

Diethylammonium heptabromidedicadmium(II)

R. D. Willett and B. Twamley


Key indicators

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 7 CD3 -CD2 -CD3 -BR3 149.90 0.02 1.556 1.555 1.555 5.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 13 CD3 -CD2 -CD3 -BR3 -30.10 0.02 1.556 1.555 1.555 2.765 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 20 CD3 -CD2 -CD3 -BR3 29.90 0.02 1.556 1.555 1.555 6.655 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 26 CD3 -CD2 -CD3 -BR3 89.90 0.02 1.556 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 33 CD3 -CD2 -CD3 -BR3 -90.10 0.02 1.556 1.555 1.555 4.775 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 39 CD3 -CD2 -CD3 -BR3 -150.10 0.02 1.556 1.555 1.555 3.675 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 40 BR3 -CD2 -CD3 -CD2 0.00 0.00 1.555 1.555 1.555 1.554 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 41 BR3 -CD2 -CD3 -CD2 0.00 0.00 4.776 1.555 1.555 1.554 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 42 BR3 -CD2 -CD3 -CD2 0.00 0.00 6.656 1.555 1.555 1.554 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 43 BR3 -CD2 -CD3 -CD2 0.00 0.00 2.765 1.555 1.555 1.554 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 44 BR3 -CD2 -CD3 -CD2 0.00 0.00 5.566 1.555 1.555 1.554 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 45 BR3 -CD2 -CD3 -CD2 0.00 0.00 3.675 1.555 1.555 1.554 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 46 CD3 -CD2 -CD3 -CD2 0.00 0.00 1.556 1.555 1.555 1.554 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 50 BR3 -CD3 -BR3 -CD2 -79.00100.00 4.775 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 53 BR3 -CD2 -BR3 -CD3 79.00100.00 4.776 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc -136.50(3), Rep -136.49(1) .... 3.00 s.u-Ratio BR3 -CD3 -BR3 -CD2 5.565 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc 43.50(3), Rep 43.51(1) .... 3.00 s.u-Ratio BR3 -CD3 -BR3 -CD2 2.765 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc 136.50(3), Rep 136.49(1) .... 3.00 s.u-Ratio BR3 -CD3 -BR3 -CD2 6.655 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc -43.50(3), Rep -43.51(1) .... 3.00 s.u-Ratio BR3 -CD3 -BR3 -CD2 3.675 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc -136.52(3), Rep -136.52(1) .... 3.00 s.u-Ratio BR3 -CD2 -BR3 -CD3 6.656 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc -43.48(3), Rep -43.48(1) .... 3.00 s.u-Ratio BR3 -CD2 -BR3 -CD3 2.765 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc 136.52(3), Rep 136.52(1) .... 3.00 s.u-Ratio BR3 -CD2 -BR3 -CD3 5.566 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc 43.48(3), Rep 43.48(1) .... 3.00 s.u-Ratio BR3 -CD2 -BR3 -CD3 3.675 1.555 1.555 1.555 PLAT_743 Alert C Torsion Calc 60.00(4), Rep 60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 1.555 1.555 1.555 5.565 PLAT_743 Alert C Torsion Calc -120.00(4), Rep -120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 4.776 1.555 1.555 5.565 PLAT_743 Alert C Torsion Calc 120.00(4), Rep 120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 6.656 1.555 1.555 5.565 PLAT_743 Alert C Torsion Calc 0.00(6), Rep 0.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 5.566 1.555 1.555 5.565 PLAT_743 Alert C Torsion Calc -60.00(4), Rep -60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 3.675 1.555 1.555 5.565 PLAT_743 Alert C Torsion Calc -120.00(4), Rep -120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 1.555 1.555 1.555 2.765 PLAT_743 Alert C Torsion Calc 60.00(4), Rep 60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 4.776 1.555 1.555 2.765 PLAT_743 Alert C Torsion Calc -60.00(4), Rep -60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 6.656 1.555 1.555 2.765 PLAT_743 Alert C Torsion Calc 120.00(4), Rep 120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 3.675 1.555 1.555 2.765 PLAT_743 Alert C Torsion Calc -60.00(4), Rep -60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 1.555 1.555 1.555 6.655 PLAT_743 Alert C Torsion Calc 120.00(4), Rep 120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 4.776 1.555 1.555 6.655 PLAT_743 Alert C Torsion Calc 60.00(4), Rep 60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 2.765 1.555 1.555 6.655 PLAT_743 Alert C Torsion Calc -120.00(4), Rep -120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 5.566 1.555 1.555 6.655 PLAT_743 Alert C Torsion Calc 60.00(4), Rep 60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 6.656 1.555 1.555 1.555 PLAT_743 Alert C Torsion Calc 120.00(4), Rep 120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 2.765 1.555 1.555 1.555 PLAT_743 Alert C Torsion Calc -60.00(4), Rep -60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 5.566 1.555 1.555 1.555 PLAT_743 Alert C Torsion Calc -120.00(4), Rep -120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 3.675 1.555 1.555 1.555 PLAT_743 Alert C Torsion Calc 0.00(5), Rep 0.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 4.776 1.555 1.555 4.775 PLAT_743 Alert C Torsion Calc -120.00(4), Rep -120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 6.656 1.555 1.555 4.775 PLAT_743 Alert C Torsion Calc -60.00(4), Rep -60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 2.765 1.555 1.555 4.775 PLAT_743 Alert C Torsion Calc 120.00(4), Rep 120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 5.566 1.555 1.555 4.775 PLAT_743 Alert C Torsion Calc 60.00(4), Rep 60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 3.675 1.555 1.555 4.775 PLAT_743 Alert C Torsion Calc 120.00(4), Rep 120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 1.555 1.555 1.555 3.675 PLAT_743 Alert C Torsion Calc -60.00(4), Rep -60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 4.776 1.555 1.555 3.675 PLAT_743 Alert C Torsion Calc -120.00(4), Rep -120.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 2.765 1.555 1.555 3.675 PLAT_743 Alert C Torsion Calc 60.00(4), Rep 60.00 .... Missing s.u. BR3 -CD2 -CD3 -BR3 5.566 1.555 1.555 3.675 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: C12 H36 Br7 Cd2 N3 Atom count from _chemical_formula_moiety:C12 H33 Br7 Cd2 N3 ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.897 Tmax scaled 0.452 Tmin scaled 0.308
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
49 Alert Level C = Please check

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