(C~6~H~16~N~2~)~2~[Mo~8~O~26~]: a new β-octamolybdate salt
Muller, Eric A.; Narducci Sarjeant, Amy; Norquist, Alexander J.; Acta Crystallographica Section E 61 (2005) m730–m732; doi:10.1107/S1600536805008330

data_2205495
_publ_section_title
;
 (C~6~H~16~N~2~)~2~[Mo~8~O~26~]: a new \b-octamolybdate salt
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m730
_journal_page_last               m732
_journal_paper_doi               10.1107/S1600536805008330
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '(C6 H16 N2)2 [Mo8 O26]'
_chemical_formula_moiety         '2C6 H16 N2 +, Mo8 O26 2-'
_chemical_formula_sum            'C12 H32 Mo8 N4 O26'
_chemical_formula_weight         1415.92
_chemical_name_systematic
;
2,5-dimethylpiperazinediium \b-octamolybdate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 113.148(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.0450(11)
_cell_length_b                   12.3699(11)
_cell_length_c                   13.0539(15)
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_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      33.31
_cell_measurement_theta_min      3.85
_cell_volume                     1639.9(3)
_computing_cell_refinement       'CrysAlis RED'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2004)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2004)'
_computing_molecular_graphics
;
ATOMS (Dowty, 2002)
;
_computing_publication_material
;
CRYSTALS
;
_computing_structure_refinement
;
CRYSTALS (Betteridge et al., 2003)
;
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
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_diffrn_measured_fraction_theta_max 0.867
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;
CrysAlis CCD
;
_diffrn_measurement_method       \w
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_diffrn_reflns_theta_max         33.388
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_diffrn_standards_interval_time  0
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_exptl_absorpt_process_details
;
(multifaceted crystal model; Clark & Reid, 1995)
;
_exptl_crystal_colour            ' colourless '
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_refine_ls_structure_factor_coef Fsqd
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;
Robust weighting scheme (Prince, 1982) fitted by a five-term Chebychev
polynomial (Watkin, 1994) with coefficients 12.6, 20.2, 12.3, 5.21 and 1.63.
;
_refine_ls_weighting_scheme      calc
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_cod_database_code               2205495