Bis(2-ammonio-5-chloro­pyridine) tetradeca­chloro­hexamolybdate

In the title compound, (C₅H₆ClN₂)₂[(Mo₆Cl₈)Cl₆], the 2-ammonio-5-chloro­pyridine salt of the Mo^II chloride cluster shows a well defined N—H...Cl hydrogen-bond network. The anion is centrosymmetric.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.024
• wR factor = 0.087
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.94

Author Response: Due to the measurement of low intensity reflections some strong reflections are excluded by the dataprocessing package

Alert level B
PLAT415_ALERT_2_B Short Inter D-H..H-X       HC2    ..  H2      ..       2.09 Ang.
PLAT733_ALERT_1_B Torsion Calc   -54.64(8), Rep   -54.64(2) ......       4.44 su-Rat
              MO3 -MO2 -MO3 -MO1    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_B Torsion Calc    54.64(8), Rep    54.64(2) ......       4.44 su-Rat
              MO1 -MO2 -MO3 -MO2    3.556   1.555   1.555   3.556

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           26.02
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               2926
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         3117
           Completeness (_total/calc)             93.87%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.94
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   Cl3     ..       5.25 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   Cl7     ..       8.86 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   Cl4     ..       5.27 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo3    -   Cl2     ..       5.34 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo3    -   Cl1_a   ..       5.97 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo3    -   Cl3_a   ..       5.01 su
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl6    ..  N2      ..       3.19 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl6    ..  N2      ..       3.29 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl7    ..  Cl8     ..       3.37 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        183
            CL3 -MO2 -CL1 -MO3    29.30  0.60   3.556   1.555   1.555   3.556
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        190
            CL3 -MO2 -CL1 -MO1   -42.40  0.60   3.556   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        198
            CL2 -MO1 -CL1 -MO2    39.50  0.50   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        205
            CL2 -MO1 -CL1 -MO3   -32.90  0.50   1.555   1.555   1.555   3.556
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        212
            CL3 -MO3 -CL2 -MO2   -35.20  0.50   3.556   1.555   1.555   3.556
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        219
            CL3 -MO3 -CL2 -MO1    37.20  0.50   3.556   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        226
            CL1 -MO1 -CL2 -MO2    32.80  0.50   1.555   1.555   1.555   3.556
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        233
            CL1 -MO1 -CL2 -MO3   -39.50  0.50   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        238
            CL4 -MO1 -CL3 -MO2   -29.80  0.60   1.555   1.555   1.555   3.556
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        245
            CL4 -MO1 -CL3 -MO3    42.60  0.60   1.555   1.555   1.555   3.556
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        253
            CL1 -MO3 -CL4 -MO2    39.50  0.60   3.556   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        260
            CL1 -MO3 -CL4 -MO1   -32.60  0.60   3.556   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        266
            CL2 -MO2 -CL4 -MO3   -32.40  0.50   3.556   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        273
            CL2 -MO2 -CL4 -MO1    39.40  0.50   3.556   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        280
            CL3 -MO1 -CL4 -MO3    29.90  0.60   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        287
            CL3 -MO1 -CL4 -MO2   -42.70  0.60   1.555   1.555   1.555   1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3
PLAT732_ALERT_1_C Angle   Calc   175.52(9), Rep   175.52(4) ......       2.25 su-Rat
              CL4  -MO1  -CL3     1.555   1.555   1.555
PLAT732_ALERT_1_C Angle   Calc   175.21(9), Rep   175.21(4) ......       2.25 su-Rat
              CL2  -MO1  -CL1     1.555   1.555   1.555
PLAT732_ALERT_1_C Angle   Calc   133.72(9), Rep   133.72(4) ......       2.25 su-Rat
              CL7  -MO1  -MO2     1.555   1.555   1.555
PLAT732_ALERT_1_C Angle   Calc   134.29(9), Rep   134.29(4) ......       2.25 su-Rat
              CL5  -MO2  -MO1     1.555   1.555   1.555
PLAT732_ALERT_1_C Angle   Calc    58.03(9), Rep    58.03(4) ......       2.25 su-Rat
              CL4  -MO3  -MO2     1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc     1.51(9), Rep     1.51(3) ......       3.00 su-Rat
              MO3 -MO1 -MO2 -CL2    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   176.75(9), Rep   176.75(4) ......       2.25 su-Rat
              CL1 -MO1 -MO2 -CL3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -1.52(9), Rep    -1.52(3) ......       3.00 su-Rat
              MO3 -MO1 -MO2 -CL3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    53.02(9), Rep    53.01(4) ......       2.25 su-Rat
              MO2 -MO1 -MO2 -CL3    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -176.53(9), Rep  -176.54(4) ......       2.25 su-Rat
              CL2 -MO1 -MO2 -CL1    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -178.27(9), Rep  -178.27(3) ......       3.00 su-Rat
              MO3 -MO1 -MO2 -CL1    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -123.73(9), Rep  -123.73(4) ......       2.25 su-Rat
              MO2 -MO1 -MO2 -CL1    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   178.16(9), Rep   178.15(4) ......       2.25 su-Rat
              MO3 -MO1 -MO2 -CL4    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -178.16(9), Rep  -178.15(4) ......       2.25 su-Rat
              CL4 -MO1 -MO2 -MO3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -1.61(9), Rep    -1.61(3) ......       3.00 su-Rat
              CL3 -MO1 -MO2 -MO3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   -52.80(9), Rep   -52.80(4) ......       2.25 su-Rat
              CL2 -MO1 -MO2 -MO1    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   123.73(9), Rep   123.73(4) ......       2.25 su-Rat
              CL1 -MO1 -MO2 -MO1    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   -54.54(8), Rep   -54.54(3) ......       2.67 su-Rat
              MO3 -MO1 -MO2 -MO1    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.74(9), Rep     1.74(3) ......       3.00 su-Rat
              CL2 -MO1 -MO2 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   178.27(9), Rep   178.27(3) ......       3.00 su-Rat
              CL1 -MO1 -MO2 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    54.54(8), Rep    54.54(3) ......       2.67 su-Rat
              MO2 -MO1 -MO2 -MO3    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -178.65(9), Rep  -178.65(4) ......       2.25 su-Rat
              MO2 -MO1 -MO3 -CL4    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   176.54(9), Rep   176.54(4) ......       2.25 su-Rat
              CL1 -MO1 -MO3 -CL2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   178.20(9), Rep   178.20(3) ......       3.00 su-Rat
              MO2 -MO1 -MO3 -CL2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    -1.14(9), Rep    -1.14(3) ......       3.00 su-Rat
              MO2 -MO1 -MO3 -CL1    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -176.70(9), Rep  -176.69(4) ......       2.25 su-Rat
              CL2 -MO1 -MO3 -CL3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -0.16(9), Rep    -0.15(4) ......       2.25 su-Rat
              CL1 -MO1 -MO3 -CL3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.51(9), Rep     1.51(3) ......       3.00 su-Rat
              MO2 -MO1 -MO3 -CL3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   178.65(9), Rep   178.65(4) ......       2.25 su-Rat
              CL4 -MO1 -MO3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.17(9), Rep     1.17(4) ......       2.25 su-Rat
              CL3 -MO1 -MO3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -178.20(9), Rep  -178.20(3) ......       3.00 su-Rat
              CL2 -MO1 -MO3 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    -1.66(9), Rep    -1.66(3) ......       3.00 su-Rat
              CL1 -MO1 -MO3 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   123.93(9), Rep   123.93(4) ......       2.25 su-Rat
              MO3 -MO2 -MO3 -CL4    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   178.56(9), Rep   178.56(3) ......       3.00 su-Rat
              MO1 -MO2 -MO3 -CL4    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   176.69(9), Rep   176.68(4) ......       2.25 su-Rat
              CL3 -MO2 -MO3 -CL2    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    52.97(9), Rep    52.97(4) ......       2.25 su-Rat
              MO3 -MO2 -MO3 -CL2    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    -1.74(9), Rep    -1.74(3) ......       3.00 su-Rat
              MO1 -MO2 -MO3 -CL2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   -53.11(9), Rep   -53.11(3) ......       3.00 su-Rat
              MO3 -MO2 -MO3 -CL1    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.53(9), Rep     1.52(3) ......       3.00 su-Rat
              MO1 -MO2 -MO3 -CL1    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -123.72(9), Rep  -123.72(4) ......       2.25 su-Rat
              MO3 -MO2 -MO3 -CL3    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -178.43(9), Rep  -178.42(3) ......       3.00 su-Rat
              MO1 -MO2 -MO3 -CL3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -1.39(9), Rep    -1.39(3) ......       3.00 su-Rat
              CL2 -MO2 -MO3 -MO1    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -178.56(9), Rep  -178.56(3) ......       3.00 su-Rat
              CL4 -MO2 -MO3 -MO1    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   178.42(9), Rep   178.42(3) ......       3.00 su-Rat
              CL3 -MO2 -MO3 -MO1    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc     1.68(9), Rep     1.68(3) ......       3.00 su-Rat
              CL1 -MO2 -MO3 -MO1    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    54.71(8), Rep    54.71(3) ......       2.67 su-Rat
              MO3 -MO2 -MO3 -MO1    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    53.25(9), Rep    53.25(3) ......       3.00 su-Rat
              CL2 -MO2 -MO3 -MO2    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   123.72(9), Rep   123.72(4) ......       2.25 su-Rat
              CL3 -MO2 -MO3 -MO2    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   -53.02(9), Rep   -53.02(4) ......       2.25 su-Rat
              CL1 -MO2 -MO3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -123.93(9), Rep  -123.93(4) ......       2.25 su-Rat
              CL4 -MO2 -MO3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   -54.71(8), Rep   -54.71(3) ......       2.67 su-Rat
              MO1 -MO2 -MO3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.16(9), Rep     1.16(3) ......       3.00 su-Rat
              MO1 -MO2 -CL1 -MO3    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -1.70(9), Rep    -1.70(3) ......       3.00 su-Rat
              MO3 -MO2 -CL1 -MO1    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -143.11(9), Rep  -143.11(4) ......       2.25 su-Rat
              CL7 -MO1 -CL1 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   -51.47(9), Rep   -51.47(4) ......       2.25 su-Rat
              CL4 -MO1 -CL1 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   124.06(9), Rep   124.06(4) ......       2.25 su-Rat
              CL3 -MO1 -CL1 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc     1.71(9), Rep     1.70(3) ......       3.00 su-Rat
              MO3 -MO1 -CL1 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -123.83(9), Rep  -123.83(4) ......       2.25 su-Rat
              CL4 -MO1 -CL1 -MO3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    51.70(9), Rep    51.70(3) ......       3.00 su-Rat
              CL3 -MO1 -CL1 -MO3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -1.54(9), Rep    -1.54(3) ......       3.00 su-Rat
              MO2 -MO1 -CL1 -MO3    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -1.54(9), Rep    -1.53(3) ......       3.00 su-Rat
              MO1 -MO3 -CL2 -MO2    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   -51.55(9), Rep   -51.55(4) ......       2.25 su-Rat
              CL4 -MO3 -CL2 -MO1    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   124.39(9), Rep   124.39(4) ......       2.25 su-Rat
              CL1 -MO3 -CL2 -MO1    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc     1.77(9), Rep     1.77(3) ......       3.00 su-Rat
              MO2 -MO3 -CL2 -MO1    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   123.77(9), Rep   123.77(4) ......       2.25 su-Rat
              CL4 -MO1 -CL2 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   -51.80(9), Rep   -51.80(3) ......       3.00 su-Rat
              CL3 -MO1 -CL2 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.41(9), Rep     1.42(3) ......       3.00 su-Rat
              MO3 -MO1 -CL2 -MO2    3.556   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   143.09(9), Rep   143.09(4) ......       2.25 su-Rat
              CL7 -MO1 -CL2 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    51.43(9), Rep    51.43(4) ......       2.25 su-Rat
              CL4 -MO1 -CL2 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -124.13(9), Rep  -124.14(4) ......       2.25 su-Rat
              CL3 -MO1 -CL2 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    -1.78(9), Rep    -1.78(3) ......       3.00 su-Rat
              MO2 -MO1 -CL2 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    51.53(9), Rep    51.53(4) ......       2.25 su-Rat
              CL2 -MO1 -CL3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc  -123.70(9), Rep  -123.70(4) ......       2.25 su-Rat
              CL1 -MO1 -CL3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc    -1.20(9), Rep    -1.20(4) ......       2.25 su-Rat
              MO3 -MO1 -CL3 -MO2    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   123.91(9), Rep   123.90(4) ......       2.25 su-Rat
              CL2 -MO1 -CL3 -MO3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc   -51.32(9), Rep   -51.33(4) ......       2.25 su-Rat
              CL1 -MO1 -CL3 -MO3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.64(9), Rep     1.64(3) ......       3.00 su-Rat
              MO2 -MO1 -CL3 -MO3    1.555   1.555   1.555   3.556
PLAT733_ALERT_1_C Torsion Calc     1.41(9), Rep     1.41(3) ......       3.00 su-Rat
              MO1 -MO3 -CL4 -MO2    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    -1.34(9), Rep    -1.34(4) ......       2.25 su-Rat
              MO2 -MO3 -CL4 -MO1    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    -1.40(9), Rep    -1.40(3) ......       3.00 su-Rat
              MO1 -MO2 -CL4 -MO3    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc     1.81(9), Rep     1.81(3) ......       3.00 su-Rat
              MO3 -MO2 -CL4 -MO1    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   -51.43(9), Rep   -51.43(4) ......       2.25 su-Rat
              CL2 -MO1 -CL4 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc   123.78(9), Rep   123.78(4) ......       2.25 su-Rat
              CL1 -MO1 -CL4 -MO3    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc     1.33(9), Rep     1.33(3) ......       3.00 su-Rat
              MO2 -MO1 -CL4 -MO3    3.556   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc  -123.97(9), Rep  -123.97(4) ......       2.25 su-Rat
              CL2 -MO1 -CL4 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    51.24(9), Rep    51.24(4) ......       2.25 su-Rat
              CL1 -MO1 -CL4 -MO2    1.555   1.555   1.555   1.555
PLAT733_ALERT_1_C Torsion Calc    -1.81(9), Rep    -1.81(3) ......       3.00 su-Rat
              MO3 -MO1 -CL4 -MO2    3.556   1.555   1.555   1.555
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.24 Ratio

   1 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
 117 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

  90 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
  18 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: IPDS (Stoe & Cie, 1997); cell refinement: IPDS; data reduction: IPDS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997) and JANA2000 (Petříček & Dušek, 2000); program(s) used to refine structure: SHELXL97 and JANA2000; software used to prepare material for publication: SHELXL97 and JANA2000.

Bis(2-ammonio-5-chloropyridine) tetradecachlorohexamolybdate

Crystal data

(C5H6ClN2)2[Mo6Cl14]	F(000) = 1248
Mr = 1331.08	Dx = 2.794 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5000 reflections
a = 9.186 (6) Å	θ = 4.3–52.0°
b = 18.238 (8) Å	µ = 3.67 mm^−1
c = 9.614 (6) Å	T = 293 K
β = 100.81 (8)°	Block, yellow
V = 1582.0 (16) Å^3	0.18 × 0.18 × 0.10 mm
Z = 2

Data collection

Stoe IPDS CCD area-detector diffractometer	2926 independent reflections
Radiation source: fine-focus sealed tube	2486 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.044
φ scans	θmax = 26.0°, θmin = 2.2°
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1996)	h = −10→10
Tmin = 0.486, Tmax = 0.652	k = −22→22
12075 measured reflections	l = −11→11

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F > 3σ(F)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F) = 0.087	H-atom parameters constrained
S = 1.18	w = 1/[σ^2(Fo^2) + (0.052P)^2] where P = (Fo^2 + 2Fc^2)/3
2926 reflections	(Δ/σ)max = 0.001
164 parameters	Δρmax = 1.04 e Å^−3
68 restraints	Δρmin = −1.64 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Mo1	−0.00010 (4)	0.100068 (18)	0.47496 (4)	0.01963 (12)
Mo2	−0.15957 (4)	0.008489 (19)	0.59196 (4)	0.01913 (12)
Mo3	0.12952 (4)	0.010232 (19)	0.67028 (4)	0.01948 (13)
Cl1	−0.27502 (13)	0.09267 (6)	0.40153 (12)	0.0265 (3)
Cl2	0.27330 (13)	0.09608 (6)	0.54957 (12)	0.0264 (2)
Cl3	0.02950 (14)	0.07736 (6)	0.22789 (11)	0.0275 (3)
Cl4	−0.02736 (14)	0.11232 (6)	0.72522 (11)	0.0268 (3)
Cl5	−0.36865 (15)	0.02181 (7)	0.71410 (13)	0.0336 (3)
Cl6	0.29550 (15)	0.02352 (7)	0.89955 (12)	0.0341 (3)
Cl7	−0.00424 (16)	0.23201 (6)	0.44373 (16)	0.0412 (3)
C1	0.6433 (6)	0.1754 (3)	0.0559 (5)	0.0312 (11)
N1	0.7421 (6)	0.1478 (2)	−0.0160 (5)	0.0438 (12)
H1	0.8149	0.1800	−0.0159	0.066*
H2	0.6978	0.1387	−0.1049	0.066*
H3	0.7794	0.1064	0.0248	0.066*
C2	0.5487 (7)	0.2714 (3)	0.1831 (6)	0.0401 (13)
HC2	0.5543	0.3190	0.2186	0.060*
C3	0.4310 (6)	0.2253 (3)	0.2031 (5)	0.0348 (12)
C4	0.6533 (7)	0.2467 (3)	0.1127 (6)	0.0380 (13)
HC4	0.7320	0.2769	0.1018	0.057*
C5	0.4224 (7)	0.1583 (3)	0.1480 (6)	0.0397 (13)
HC5	0.3444	0.1276	0.1586	0.060*
N2	0.5279 (5)	0.1345 (2)	0.0760 (5)	0.0374 (11)
Cl8	0.2997 (2)	0.25423 (9)	0.29898 (18)	0.0551 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mo1	0.0220 (3)	0.01440 (19)	0.0218 (2)	0.00112 (13)	0.00252 (15)	0.00001 (13)
Mo2	0.0202 (3)	0.0170 (2)	0.0199 (2)	0.00098 (13)	0.00308 (15)	−0.00076 (13)
Mo3	0.0208 (3)	0.0178 (2)	0.0184 (2)	0.00063 (13)	−0.00003 (15)	−0.00126 (13)
Cl1	0.0244 (7)	0.0250 (5)	0.0284 (6)	0.0060 (4)	0.0005 (4)	0.0018 (4)
Cl2	0.0242 (7)	0.0230 (5)	0.0311 (6)	−0.0040 (4)	0.0024 (4)	−0.0026 (4)
Cl3	0.0317 (7)	0.0276 (5)	0.0229 (5)	0.0008 (4)	0.0042 (4)	0.0054 (4)
Cl4	0.0317 (7)	0.0222 (5)	0.0262 (5)	0.0014 (4)	0.0049 (4)	−0.0065 (4)
Cl5	0.0304 (8)	0.0370 (6)	0.0363 (6)	0.0026 (5)	0.0140 (5)	−0.0007 (5)
Cl6	0.0375 (8)	0.0327 (6)	0.0266 (6)	−0.0031 (5)	−0.0079 (5)	−0.0043 (5)
Cl7	0.0469 (9)	0.0191 (5)	0.0618 (9)	−0.0053 (5)	0.0212 (6)	−0.0081 (5)
C1	0.032 (3)	0.027 (2)	0.033 (3)	−0.0044 (19)	−0.001 (2)	0.0031 (19)
N1	0.048 (3)	0.033 (2)	0.050 (3)	−0.002 (2)	0.011 (2)	0.000 (2)
C2	0.050 (4)	0.028 (3)	0.040 (3)	−0.009 (2)	0.003 (3)	−0.002 (2)
C3	0.039 (3)	0.031 (3)	0.033 (3)	0.002 (2)	0.002 (2)	0.005 (2)
C4	0.044 (4)	0.029 (3)	0.040 (3)	−0.015 (2)	0.006 (2)	0.000 (2)
C5	0.038 (4)	0.029 (3)	0.052 (3)	−0.009 (2)	0.006 (3)	0.004 (2)
N2	0.038 (3)	0.023 (2)	0.052 (3)	−0.0099 (17)	0.008 (2)	−0.0039 (18)
Cl8	0.0598 (12)	0.0575 (9)	0.0526 (9)	−0.0097 (7)	0.0220 (7)	−0.0053 (7)

Geometric parameters (Å, º)

Mo1—Mo3^i	2.6052 (13)	Mo3—Cl2	2.4732 (16)
Mo1—Mo3	2.6057 (15)	Mo3—Cl1^i	2.4761 (15)
Mo1—Mo2	2.6112 (13)	Mo3—Cl3^i	2.4860 (16)
Mo1—Mo2^i	2.6151 (11)	Cl1—Mo3^i	2.4761 (15)
Mo2—Mo3	2.621 (2)	Cl2—Mo2^i	2.4590 (16)
Mo2—Mo3^i	2.6096 (17)	Cl3—Mo2^i	2.4703 (18)
Mo2—Mo1^i	2.6151 (11)	Cl3—Mo3^i	2.4860 (16)
Mo3—Mo1^i	2.6052 (13)	C1—N1	1.338 (7)
Mo3—Mo2^i	2.6096 (17)	C1—N2	1.339 (7)
Mo1—Cl7	2.4243 (16)	C1—C4	1.407 (7)
Mo1—Cl4	2.4754 (19)	N1—H1	0.8900
Mo1—Cl3	2.4757 (19)	N1—H2	0.8900
Mo1—Cl2	2.480 (2)	N1—H3	0.8900
Mo1—Cl1	2.495 (2)	C2—C4	1.353 (8)
Mo2—Cl5	2.444 (2)	C2—C3	1.411 (8)
Mo2—Cl2^i	2.4590 (16)	C2—HC2	0.9300
Mo2—Cl3^i	2.4703 (18)	C3—C5	1.327 (7)
Mo2—Cl1	2.4709 (17)	C3—Cl8	1.732 (6)
Mo2—Cl4	2.4735 (16)	C4—HC4	0.9300
Mo3—Cl6	2.446 (2)	C5—N2	1.364 (8)
Mo3—Cl4	2.4713 (15)	C5—HC5	0.9300
Cl7—Mo1—Cl4	91.64 (5)	Mo1^i—Mo2—Mo3	59.68 (3)
Cl7—Mo1—Cl3	92.82 (5)	Cl6—Mo3—Cl4	91.30 (6)
Cl4—Mo1—Cl3	175.52 (4)	Cl6—Mo3—Cl2	93.59 (6)
Cl7—Mo1—Cl2	93.24 (5)	Cl4—Mo3—Cl2	90.43 (6)
Cl4—Mo1—Cl2	90.17 (9)	Cl6—Mo3—Cl1^i	92.78 (6)
Cl3—Mo1—Cl2	89.15 (8)	Cl4—Mo3—Cl1^i	175.92 (4)
Cl7—Mo1—Cl1	91.55 (5)	Cl2—Mo3—Cl1^i	89.16 (6)
Cl4—Mo1—Cl1	89.91 (9)	Cl6—Mo3—Cl3^i	91.25 (6)
Cl3—Mo1—Cl1	90.40 (8)	Cl4—Mo3—Cl3^i	89.47 (6)
Cl2—Mo1—Cl1	175.21 (4)	Cl2—Mo3—Cl3^i	175.16 (4)
Cl7—Mo1—Mo3^i	134.83 (5)	Cl1^i—Mo3—Cl3^i	90.60 (6)
Cl4—Mo1—Mo3^i	118.13 (5)	Cl6—Mo3—Mo1^i	134.77 (4)
Cl3—Mo1—Mo3^i	58.52 (4)	Cl4—Mo3—Mo1^i	118.07 (5)
Cl2—Mo1—Mo3^i	117.90 (5)	Cl2—Mo3—Mo1^i	117.87 (5)
Cl1—Mo1—Mo3^i	58.04 (5)	Cl1^i—Mo3—Mo1^i	58.75 (5)
Cl7—Mo1—Mo3	135.05 (5)	Cl3^i—Mo3—Mo1^i	58.14 (5)
Cl4—Mo1—Mo3	58.14 (5)	Cl6—Mo3—Mo1	135.28 (5)
Cl3—Mo1—Mo3	117.95 (5)	Cl4—Mo3—Mo1	58.29 (5)
Cl2—Mo1—Mo3	58.13 (6)	Cl2—Mo3—Mo1	58.39 (5)
Cl1—Mo1—Mo3	118.12 (6)	Cl1^i—Mo3—Mo1	118.25 (5)
Mo3^i—Mo1—Mo3	90.09 (6)	Cl3^i—Mo3—Mo1	117.71 (5)
Cl7—Mo1—Mo2	133.72 (4)	Mo1^i—Mo3—Mo1	89.91 (6)
Cl4—Mo1—Mo2	58.12 (5)	Cl6—Mo3—Mo2^i	136.28 (6)
Cl3—Mo1—Mo2	118.54 (5)	Cl4—Mo3—Mo2^i	118.46 (5)
Cl2—Mo1—Mo2	118.43 (5)	Cl2—Mo3—Mo2^i	57.79 (5)
Cl1—Mo1—Mo2	57.83 (5)	Cl1^i—Mo3—Mo2^i	58.07 (5)
Mo3^i—Mo1—Mo2	60.03 (4)	Cl3^i—Mo3—Mo2^i	118.21 (5)
Mo3—Mo1—Mo2	60.32 (4)	Mo1^i—Mo3—Mo2^i	60.10 (4)
Cl7—Mo1—Mo2^i	135.85 (5)	Mo1—Mo3—Mo2^i	60.19 (4)
Cl4—Mo1—Mo2^i	118.10 (5)	Cl6—Mo3—Mo2	133.39 (7)
Cl3—Mo1—Mo2^i	57.98 (5)	Cl4—Mo3—Mo2	58.03 (4)
Cl2—Mo1—Mo2^i	57.64 (4)	Cl2—Mo3—Mo2	118.31 (5)
Cl1—Mo1—Mo2^i	118.30 (4)	Cl1^i—Mo3—Mo2	118.78 (4)
Mo3^i—Mo1—Mo2^i	60.27 (4)	Cl3^i—Mo3—Mo2	57.78 (5)
Mo3—Mo1—Mo2^i	59.98 (4)	Mo1^i—Mo3—Mo2	60.05 (4)
Mo2—Mo1—Mo2^i	90.43 (5)	Mo1—Mo3—Mo2	59.95 (5)
Cl5—Mo2—Cl2^i	93.00 (6)	Mo2^i—Mo3—Mo2	90.34 (8)
Cl5—Mo2—Cl3^i	92.66 (6)	Mo2—Cl1—Mo3^i	63.67 (5)
Cl2^i—Mo2—Cl3^i	89.76 (7)	Mo2—Cl1—Mo1	63.45 (6)
Cl5—Mo2—Cl1	91.58 (6)	Mo3^i—Cl1—Mo1	63.21 (4)
Cl2^i—Mo2—Cl1	89.61 (7)	Mo2^i—Cl2—Mo3	63.89 (5)
Cl3^i—Mo2—Cl1	175.74 (4)	Mo2^i—Cl2—Mo1	63.94 (5)
Cl5—Mo2—Cl4	91.65 (6)	Mo3—Cl2—Mo1	63.48 (5)
Cl2^i—Mo2—Cl4	175.34 (4)	Mo2^i—Cl3—Mo1	63.84 (5)
Cl3^i—Mo2—Cl4	89.78 (7)	Mo2^i—Cl3—Mo3^i	63.85 (5)
Cl1—Mo2—Cl4	90.51 (7)	Mo1—Cl3—Mo3^i	63.34 (5)
Cl5—Mo2—Mo3^i	135.42 (6)	Mo3—Cl4—Mo2	64.02 (5)
Cl2^i—Mo2—Mo3^i	58.32 (4)	Mo3—Cl4—Mo1	63.57 (5)
Cl3^i—Mo2—Mo3^i	118.00 (5)	Mo2—Cl4—Mo1	63.69 (5)
Cl1—Mo2—Mo3^i	58.26 (5)	N1—C1—N2	119.9 (5)
Cl4—Mo2—Mo3^i	118.03 (5)	N1—C1—C4	123.1 (5)
Cl5—Mo2—Mo1	134.29 (4)	N2—C1—C4	117.0 (5)
Cl2^i—Mo2—Mo1	118.17 (5)	C1—N1—H1	109.5
Cl3^i—Mo2—Mo1	118.09 (5)	C1—N1—H2	109.5
Cl1—Mo2—Mo1	58.73 (5)	H1—N1—H2	109.5
Cl4—Mo2—Mo1	58.19 (5)	C1—N1—H3	109.5
Mo3^i—Mo2—Mo1	59.87 (4)	H1—N1—H3	109.5
Cl5—Mo2—Mo1^i	136.14 (4)	H2—N1—H3	109.5
Cl2^i—Mo2—Mo1^i	58.43 (5)	C4—C2—C3	120.2 (5)
Cl3^i—Mo2—Mo1^i	58.18 (5)	C4—C2—HC2	119.9
Cl1—Mo2—Mo1^i	118.08 (5)	C3—C2—HC2	119.9
Cl4—Mo2—Mo1^i	117.61 (5)	C5—C3—C2	119.0 (5)
Mo3^i—Mo2—Mo1^i	59.83 (4)	C5—C3—Cl8	119.8 (5)
Mo1—Mo2—Mo1^i	89.57 (5)	C2—C3—Cl8	121.2 (4)
Cl5—Mo2—Mo3	134.91 (5)	C2—C4—C1	120.1 (5)
Cl2^i—Mo2—Mo3	118.09 (5)	C2—C4—HC4	119.9
Cl3^i—Mo2—Mo3	58.37 (6)	C1—C4—HC4	119.9
Cl1—Mo2—Mo3	118.44 (6)	C3—C5—N2	120.1 (5)
Cl4—Mo2—Mo3	57.95 (5)	C3—C5—HC5	120.0
Mo3^i—Mo2—Mo3	89.66 (8)	N2—C5—HC5	120.0
Mo1—Mo2—Mo3	59.74 (4)	C1—N2—C5	123.6 (4)
Cl7—Mo1—Mo2—Cl5	−0.67 (8)	Cl5—Mo2—Mo3—Cl3^i	57.53 (6)
Cl4—Mo1—Mo2—Cl5	56.09 (7)	Cl2^i—Mo2—Mo3—Cl3^i	−70.47 (6)
Cl3—Mo1—Mo2—Cl5	−127.36 (7)	Cl1—Mo2—Mo3—Cl3^i	−176.74 (5)
Cl2—Mo1—Mo2—Cl5	126.67 (6)	Cl4—Mo2—Mo3—Cl3^i	112.36 (6)
Cl1—Mo1—Mo2—Cl5	−56.80 (6)	Mo3^i—Mo2—Mo3—Cl3^i	−123.72 (4)
Mo3^i—Mo1—Mo2—Cl5	−125.75 (7)	Mo1—Mo2—Mo3—Cl3^i	−178.42 (3)
Mo3—Mo1—Mo2—Cl5	124.93 (6)	Mo1^i—Mo2—Mo3—Cl3^i	−69.08 (5)
Mo2^i—Mo1—Mo2—Cl5	179.47 (5)	Cl5—Mo2—Mo3—Mo1^i	126.61 (5)
Cl7—Mo1—Mo2—Cl2^i	126.59 (8)	Cl2^i—Mo2—Mo3—Mo1^i	−1.39 (3)
Cl4—Mo1—Mo2—Cl2^i	−176.65 (5)	Cl3^i—Mo2—Mo3—Mo1^i	69.08 (5)
Cl3—Mo1—Mo2—Cl2^i	−0.10 (5)	Cl1—Mo2—Mo3—Mo1^i	−107.66 (5)
Cl2—Mo1—Mo2—Cl2^i	−106.07 (7)	Cl4—Mo2—Mo3—Mo1^i	−178.56 (3)
Cl1—Mo1—Mo2—Cl2^i	70.46 (7)	Mo3^i—Mo2—Mo3—Mo1^i	−54.637 (18)
Mo3^i—Mo1—Mo2—Cl2^i	1.51 (3)	Mo1—Mo2—Mo3—Mo1^i	−109.34 (4)
Mo3—Mo1—Mo2—Cl2^i	−107.81 (7)	Cl5—Mo2—Mo3—Mo1	−124.05 (6)
Mo2^i—Mo1—Mo2—Cl2^i	−53.27 (6)	Cl2^i—Mo2—Mo3—Mo1	107.95 (5)
Cl7—Mo1—Mo2—Cl3^i	−127.12 (7)	Cl3^i—Mo2—Mo3—Mo1	178.42 (3)
Cl4—Mo1—Mo2—Cl3^i	−70.36 (7)	Cl1—Mo2—Mo3—Mo1	1.68 (3)
Cl3—Mo1—Mo2—Cl3^i	106.18 (7)	Cl4—Mo2—Mo3—Mo1	−69.22 (5)
Cl2—Mo1—Mo2—Cl3^i	0.21 (5)	Mo3^i—Mo2—Mo3—Mo1	54.71 (3)
Cl1—Mo1—Mo2—Cl3^i	176.75 (4)	Mo1^i—Mo2—Mo3—Mo1	109.34 (4)
Mo3^i—Mo1—Mo2—Cl3^i	107.79 (7)	Cl5—Mo2—Mo3—Mo2^i	−178.76 (5)
Mo3—Mo1—Mo2—Cl3^i	−1.52 (3)	Cl2^i—Mo2—Mo3—Mo2^i	53.25 (3)
Mo2^i—Mo1—Mo2—Cl3^i	53.01 (4)	Cl3^i—Mo2—Mo3—Mo2^i	123.72 (4)
Cl7—Mo1—Mo2—Cl1	56.13 (7)	Cl1—Mo2—Mo3—Mo2^i	−53.02 (4)
Cl4—Mo1—Mo2—Cl1	112.89 (7)	Cl4—Mo2—Mo3—Mo2^i	−123.93 (4)
Cl3—Mo1—Mo2—Cl1	−70.57 (7)	Mo3^i—Mo2—Mo3—Mo2^i	0.0
Cl2—Mo1—Mo2—Cl1	−176.54 (4)	Mo1—Mo2—Mo3—Mo2^i	−54.71 (3)
Mo3^i—Mo1—Mo2—Cl1	−68.95 (6)	Mo1^i—Mo2—Mo3—Mo2^i	54.637 (18)
Mo3—Mo1—Mo2—Cl1	−178.27 (3)	Cl5—Mo2—Cl1—Mo3^i	−145.17 (5)
Mo2^i—Mo1—Mo2—Cl1	−123.73 (4)	Cl2^i—Mo2—Cl1—Mo3^i	−52.18 (5)
Cl7—Mo1—Mo2—Cl4	−56.76 (8)	Cl3^i—Mo2—Cl1—Mo3^i	29.3 (6)
Cl3—Mo1—Mo2—Cl4	176.54 (5)	Cl4—Mo2—Cl1—Mo3^i	123.17 (5)
Cl2—Mo1—Mo2—Cl4	70.57 (7)	Mo1—Mo2—Cl1—Mo3^i	71.64 (6)
Cl1—Mo1—Mo2—Cl4	−112.89 (7)	Mo1^i—Mo2—Cl1—Mo3^i	1.16 (3)
Mo3^i—Mo1—Mo2—Cl4	178.15 (4)	Mo3—Mo2—Cl1—Mo3^i	69.95 (6)
Mo3—Mo1—Mo2—Cl4	68.84 (7)	Cl5—Mo2—Cl1—Mo1	143.19 (5)
Mo2^i—Mo1—Mo2—Cl4	123.37 (6)	Cl2^i—Mo2—Cl1—Mo1	−123.82 (5)
Cl7—Mo1—Mo2—Mo3^i	125.08 (7)	Cl3^i—Mo2—Cl1—Mo1	−42.4 (6)
Cl4—Mo1—Mo2—Mo3^i	−178.15 (4)	Cl4—Mo2—Cl1—Mo1	51.53 (5)
Cl3—Mo1—Mo2—Mo3^i	−1.61 (3)	Mo3^i—Mo2—Cl1—Mo1	−71.64 (6)
Cl2—Mo1—Mo2—Mo3^i	−107.58 (7)	Mo1^i—Mo2—Cl1—Mo1	−70.48 (6)
Cl1—Mo1—Mo2—Mo3^i	68.95 (6)	Mo3—Mo2—Cl1—Mo1	−1.70 (3)
Mo3—Mo1—Mo2—Mo3^i	−109.32 (6)	Cl7—Mo1—Cl1—Mo2	−143.11 (4)
Mo2^i—Mo1—Mo2—Mo3^i	−54.78 (5)	Cl4—Mo1—Cl1—Mo2	−51.47 (4)
Cl7—Mo1—Mo2—Mo1^i	179.86 (6)	Cl3—Mo1—Cl1—Mo2	124.06 (4)
Cl4—Mo1—Mo2—Mo1^i	−123.37 (6)	Cl2—Mo1—Cl1—Mo2	39.5 (5)
Cl3—Mo1—Mo2—Mo1^i	53.17 (6)	Mo3^i—Mo1—Cl1—Mo2	72.36 (5)
Cl2—Mo1—Mo2—Mo1^i	−52.80 (4)	Mo3—Mo1—Cl1—Mo2	1.70 (3)
Cl1—Mo1—Mo2—Mo1^i	123.73 (4)	Mo2^i—Mo1—Cl1—Mo2	70.82 (5)
Mo3^i—Mo1—Mo2—Mo1^i	54.78 (5)	Cl7—Mo1—Cl1—Mo3^i	144.53 (5)
Mo3—Mo1—Mo2—Mo1^i	−54.54 (3)	Cl4—Mo1—Cl1—Mo3^i	−123.83 (4)
Mo2^i—Mo1—Mo2—Mo1^i	0.0	Cl3—Mo1—Cl1—Mo3^i	51.70 (3)
Cl7—Mo1—Mo2—Mo3	−125.60 (6)	Cl2—Mo1—Cl1—Mo3^i	−32.9 (5)
Cl4—Mo1—Mo2—Mo3	−68.84 (7)	Mo3—Mo1—Cl1—Mo3^i	−70.66 (5)
Cl3—Mo1—Mo2—Mo3	107.71 (7)	Mo2—Mo1—Cl1—Mo3^i	−72.36 (5)
Cl2—Mo1—Mo2—Mo3	1.74 (3)	Mo2^i—Mo1—Cl1—Mo3^i	−1.54 (3)
Cl1—Mo1—Mo2—Mo3	178.27 (3)	Cl6—Mo3—Cl2—Mo2^i	144.71 (5)
Mo3^i—Mo1—Mo2—Mo3	109.32 (6)	Cl4—Mo3—Cl2—Mo2^i	−123.96 (6)
Mo2^i—Mo1—Mo2—Mo3	54.54 (3)	Cl1^i—Mo3—Cl2—Mo2^i	51.98 (6)
Cl7—Mo1—Mo3—Cl6	0.79 (8)	Cl3^i—Mo3—Cl2—Mo2^i	−35.2 (5)
Cl4—Mo1—Mo3—Cl6	−54.12 (7)	Mo1^i—Mo3—Cl2—Mo2^i	−1.53 (3)
Cl3—Mo1—Mo3—Cl6	128.41 (7)	Mo1—Mo3—Cl2—Mo2^i	−72.41 (6)
Cl2—Mo1—Mo3—Cl6	58.87 (7)	Mo2—Mo3—Cl2—Mo2^i	−70.64 (6)
Cl1—Mo1—Mo3—Cl6	−124.59 (7)	Cl6—Mo3—Cl2—Mo1	−142.88 (5)
Mo3^i—Mo1—Mo3—Cl6	−177.77 (6)	Cl4—Mo3—Cl2—Mo1	−51.55 (4)
Mo2—Mo1—Mo3—Cl6	−122.93 (7)	Cl1^i—Mo3—Cl2—Mo1	124.39 (4)
Mo2^i—Mo1—Mo3—Cl6	127.23 (6)	Cl3^i—Mo3—Cl2—Mo1	37.2 (5)
Cl7—Mo1—Mo3—Cl4	54.91 (7)	Mo1^i—Mo3—Cl2—Mo1	70.88 (6)
Cl3—Mo1—Mo3—Cl4	−177.47 (5)	Mo2^i—Mo3—Cl2—Mo1	72.41 (6)
Cl2—Mo1—Mo3—Cl4	112.99 (7)	Mo2—Mo3—Cl2—Mo1	1.77 (3)
Cl1—Mo1—Mo3—Cl4	−70.47 (7)	Cl7—Mo1—Cl2—Mo2^i	−144.58 (5)
Mo3^i—Mo1—Mo3—Cl4	−123.65 (5)	Cl4—Mo1—Cl2—Mo2^i	123.77 (4)
Mo2—Mo1—Mo3—Cl4	−68.81 (6)	Cl3—Mo1—Cl2—Mo2^i	−51.80 (3)
Mo2^i—Mo1—Mo3—Cl4	−178.65 (4)	Cl1—Mo1—Cl2—Mo2^i	32.8 (5)
Cl7—Mo1—Mo3—Cl2	−58.08 (7)	Mo3^i—Mo1—Cl2—Mo2^i	1.42 (3)
Cl4—Mo1—Mo3—Cl2	−112.99 (7)	Mo3—Mo1—Cl2—Mo2^i	72.33 (5)
Cl3—Mo1—Mo3—Cl2	69.54 (7)	Mo2—Mo1—Cl2—Mo2^i	70.56 (5)
Cl1—Mo1—Mo3—Cl2	176.54 (4)	Cl7—Mo1—Cl2—Mo3	143.09 (4)
Mo3^i—Mo1—Mo3—Cl2	123.36 (5)	Cl4—Mo1—Cl2—Mo3	51.43 (4)
Mo2—Mo1—Mo3—Cl2	178.20 (3)	Cl3—Mo1—Cl2—Mo3	−124.14 (4)
Mo2^i—Mo1—Mo3—Cl2	68.36 (6)	Cl1—Mo1—Cl2—Mo3	−39.5 (5)
Cl7—Mo1—Mo3—Cl1^i	−127.58 (7)	Mo3^i—Mo1—Cl2—Mo3	−70.92 (5)
Cl4—Mo1—Mo3—Cl1^i	177.51 (5)	Mo2—Mo1—Cl2—Mo3	−1.78 (3)
Cl3—Mo1—Mo3—Cl1^i	0.03 (5)	Mo2^i—Mo1—Cl2—Mo3	−72.33 (5)
Cl2—Mo1—Mo3—Cl1^i	−69.50 (7)	Cl7—Mo1—Cl3—Mo2^i	144.73 (5)
Cl1—Mo1—Mo3—Cl1^i	107.04 (7)	Cl4—Mo1—Cl3—Mo2^i	−29.8 (6)
Mo3^i—Mo1—Mo3—Cl1^i	53.86 (5)	Cl2—Mo1—Cl3—Mo2^i	51.53 (4)
Mo2—Mo1—Mo3—Cl1^i	108.70 (6)	Cl1—Mo1—Cl3—Mo2^i	−123.70 (4)
Mo2^i—Mo1—Mo3—Cl1^i	−1.14 (3)	Mo3^i—Mo1—Cl3—Mo2^i	−72.37 (5)
Cl7—Mo1—Mo3—Cl3^i	125.22 (7)	Mo3—Mo1—Cl3—Mo2^i	−1.20 (4)
Cl4—Mo1—Mo3—Cl3^i	70.32 (7)	Mo2—Mo1—Cl3—Mo2^i	−70.74 (6)
Cl3—Mo1—Mo3—Cl3^i	−107.16 (7)	Cl7—Mo1—Cl3—Mo3^i	−142.90 (5)
Cl2—Mo1—Mo3—Cl3^i	−176.69 (4)	Cl4—Mo1—Cl3—Mo3^i	42.6 (6)
Cl1—Mo1—Mo3—Cl3^i	−0.15 (4)	Cl2—Mo1—Cl3—Mo3^i	123.90 (4)
Mo3^i—Mo1—Mo3—Cl3^i	−53.33 (5)	Cl1—Mo1—Cl3—Mo3^i	−51.33 (4)
Mo2—Mo1—Mo3—Cl3^i	1.51 (3)	Mo3—Mo1—Cl3—Mo3^i	71.17 (6)
Mo2^i—Mo1—Mo3—Cl3^i	−108.33 (6)	Mo2—Mo1—Cl3—Mo3^i	1.64 (3)
Cl7—Mo1—Mo3—Mo1^i	178.56 (6)	Mo2^i—Mo1—Cl3—Mo3^i	72.37 (5)
Cl4—Mo1—Mo3—Mo1^i	123.65 (5)	Cl6—Mo3—Cl4—Mo2	−142.73 (5)
Cl3—Mo1—Mo3—Mo1^i	−53.82 (5)	Cl2—Mo3—Cl4—Mo2	123.67 (5)
Cl2—Mo1—Mo3—Mo1^i	−123.36 (5)	Cl1^i—Mo3—Cl4—Mo2	39.5 (6)
Cl1—Mo1—Mo3—Mo1^i	53.18 (5)	Cl3^i—Mo3—Cl4—Mo2	−51.49 (5)
Mo3^i—Mo1—Mo3—Mo1^i	0.0	Mo1^i—Mo3—Cl4—Mo2	1.41 (3)
Mo2—Mo1—Mo3—Mo1^i	54.84 (4)	Mo1—Mo3—Cl4—Mo2	72.04 (7)
Mo2^i—Mo1—Mo3—Mo1^i	−55.00 (4)	Mo2^i—Mo3—Cl4—Mo2	70.70 (7)
Cl7—Mo1—Mo3—Mo2^i	−126.45 (6)	Cl6—Mo3—Cl4—Mo1	145.23 (5)
Cl4—Mo1—Mo3—Mo2^i	178.65 (4)	Cl2—Mo3—Cl4—Mo1	51.63 (5)
Cl3—Mo1—Mo3—Mo2^i	1.17 (4)	Cl1^i—Mo3—Cl4—Mo1	−32.6 (6)
Cl2—Mo1—Mo3—Mo2^i	−68.36 (6)	Cl3^i—Mo3—Cl4—Mo1	−123.53 (6)
Cl1—Mo1—Mo3—Mo2^i	108.18 (6)	Mo1^i—Mo3—Cl4—Mo1	−70.63 (7)
Mo3^i—Mo1—Mo3—Mo2^i	55.00 (4)	Mo2^i—Mo3—Cl4—Mo1	−1.34 (4)
Mo2—Mo1—Mo3—Mo2^i	109.84 (5)	Mo2—Mo3—Cl4—Mo1	−72.04 (7)
Cl7—Mo1—Mo3—Mo2	123.72 (7)	Cl5—Mo2—Cl4—Mo3	144.61 (5)
Cl4—Mo1—Mo3—Mo2	68.81 (6)	Cl2^i—Mo2—Cl4—Mo3	−32.4 (5)
Cl3—Mo1—Mo3—Mo2	−108.67 (6)	Cl3^i—Mo2—Cl4—Mo3	51.95 (5)
Cl2—Mo1—Mo3—Mo2	−178.20 (3)	Cl1—Mo2—Cl4—Mo3	−123.80 (6)
Cl1—Mo1—Mo3—Mo2	−1.66 (3)	Mo3^i—Mo2—Cl4—Mo3	−70.05 (6)
Mo3^i—Mo1—Mo3—Mo2	−54.84 (4)	Mo1—Mo2—Cl4—Mo3	−71.86 (6)
Mo2^i—Mo1—Mo3—Mo2	−109.84 (5)	Mo1^i—Mo2—Cl4—Mo3	−1.40 (3)
Cl5—Mo2—Mo3—Cl6	1.59 (7)	Cl5—Mo2—Cl4—Mo1	−143.54 (5)
Cl2^i—Mo2—Mo3—Cl6	−126.41 (5)	Cl2^i—Mo2—Cl4—Mo1	39.4 (5)
Cl3^i—Mo2—Mo3—Cl6	−55.93 (6)	Cl3^i—Mo2—Cl4—Mo1	123.81 (5)
Cl1—Mo2—Mo3—Cl6	127.32 (6)	Cl1—Mo2—Cl4—Mo1	−51.94 (5)
Cl4—Mo2—Mo3—Cl6	56.42 (5)	Mo3^i—Mo2—Cl4—Mo1	1.81 (3)
Mo3^i—Mo2—Mo3—Cl6	−179.65 (5)	Mo1^i—Mo2—Cl4—Mo1	70.46 (6)
Mo1—Mo2—Mo3—Cl6	125.64 (5)	Mo3—Mo2—Cl4—Mo1	71.86 (6)
Mo1^i—Mo2—Mo3—Cl6	−125.02 (5)	Cl7—Mo1—Cl4—Mo3	−144.67 (5)
Cl5—Mo2—Mo3—Cl4	−54.83 (6)	Cl3—Mo1—Cl4—Mo3	29.9 (6)
Cl2^i—Mo2—Mo3—Cl4	177.17 (5)	Cl2—Mo1—Cl4—Mo3	−51.43 (4)
Cl3^i—Mo2—Mo3—Cl4	−112.36 (6)	Cl1—Mo1—Cl4—Mo3	123.78 (4)
Cl1—Mo2—Mo3—Cl4	70.90 (6)	Mo3^i—Mo1—Cl4—Mo3	70.73 (6)
Mo3^i—Mo2—Mo3—Cl4	123.93 (4)	Mo2—Mo1—Cl4—Mo3	72.54 (5)
Mo1—Mo2—Mo3—Cl4	69.22 (5)	Mo2^i—Mo1—Cl4—Mo3	1.33 (3)
Mo1^i—Mo2—Mo3—Cl4	178.56 (3)	Cl7—Mo1—Cl4—Mo2	142.79 (5)
Cl5—Mo2—Mo3—Cl2	−125.79 (6)	Cl3—Mo1—Cl4—Mo2	−42.7 (6)
Cl2^i—Mo2—Mo3—Cl2	106.21 (6)	Cl2—Mo1—Cl4—Mo2	−123.97 (4)
Cl3^i—Mo2—Mo3—Cl2	176.68 (4)	Cl1—Mo1—Cl4—Mo2	51.24 (4)
Cl1—Mo2—Mo3—Cl2	−0.06 (5)	Mo3^i—Mo1—Cl4—Mo2	−1.81 (3)
Cl4—Mo2—Mo3—Cl2	−70.96 (6)	Mo3—Mo1—Cl4—Mo2	−72.54 (5)
Mo3^i—Mo2—Mo3—Cl2	52.97 (4)	Mo2^i—Mo1—Cl4—Mo2	−71.21 (6)
Mo1—Mo2—Mo3—Cl2	−1.74 (3)	C4—C2—C3—C5	−2.0 (8)
Mo1^i—Mo2—Mo3—Cl2	107.60 (5)	C4—C2—C3—Cl8	177.4 (4)
Cl5—Mo2—Mo3—Cl1^i	128.13 (6)	C3—C2—C4—C1	1.6 (8)
Cl2^i—Mo2—Mo3—Cl1^i	0.13 (5)	N1—C1—C4—C2	179.4 (5)
Cl3^i—Mo2—Mo3—Cl1^i	70.61 (6)	N2—C1—C4—C2	−0.4 (8)
Cl1—Mo2—Mo3—Cl1^i	−106.14 (6)	C2—C3—C5—N2	1.3 (8)
Cl4—Mo2—Mo3—Cl1^i	−177.04 (5)	Cl8—C3—C5—N2	−178.1 (4)
Mo3^i—Mo2—Mo3—Cl1^i	−53.11 (3)	N1—C1—N2—C5	179.9 (5)
Mo1—Mo2—Mo3—Cl1^i	−107.82 (5)	C4—C1—N2—C5	−0.3 (8)
Mo1^i—Mo2—Mo3—Cl1^i	1.52 (3)	C3—C5—N2—C1	−0.2 (8)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H2···Cl5^ii	0.89	2.75	3.472 (5)	140
N1—H3···Cl6^iii	0.89	2.61	3.359 (5)	143
N1—H1···Cl7^iv	0.89	2.39	3.274 (5)	171

Symmetry codes: (ii) x+1, y, z−1; (iii) −x+1, −y, −z+1; (iv) x+1, −y+1/2, z−1/2.