<i>catena</i>-Poly[[diaquazinc(II)]-μ-<small>L</small>-cysteinato(2{-})-κ^4^<i>S</i>:<i>S</i>,<i>N</i>,<i>O</i>-[di-μ-sulfido-bis[oxidomolybdate(V)](<i>Mo</i>—<i>Mo</i>)]-μ-<small>L</small>-cysteinato(2{-})-κ^4^<i>S</i>,<i>N</i>,<i>O</i>:<i>S</i>]
Shibahara, Takashi; Ogasahara, Shinobu; Sakane, Genta; Acta Crystallographica Section E 64 (2008) m605–m606; doi:10.1107/S1600536808007757

data_2218268
_publ_section_title
<i>catena</i>-Poly[[diaquazinc(II)]-\m-<small>L</small>-cysteinato(2{-})-\k^4^<i>S</i>:<i>S</i>,<i>N</i>,<i>O</i>-[di-\m-sulfido-bis[oxidomolybdate(V)](<i>Mo</i>---<i>Mo</i>)]-\m-<small>L</small>-cysteinato(2{-})-\k^4^<i>S</i>,<i>N</i>,<i>O</i>:<i>S</i>]
_journal_coeditor_code           WK2080
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m605
_journal_page_last               m606
_journal_paper_doi               10.1107/S1600536808007757
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Mo2 Zn (C3 H5 N O2 S)2 O2 S2 (H2 O)2]'
_chemical_formula_moiety         'C6 H14 Mo2 N2 O8 S4 Zn'
_chemical_formula_sum            'C6 H14 Mo2 N2 O8 S4 Zn'
_chemical_formula_weight         627.69
_chemical_name_systematic
;
catena-Poly[[diaquazinc(II)]-\m-L-cysteinato(2-)-\k^4^S:S,N,O-[di-\m-sulfido-
bis[oxidomolybdate(V)](Mo---Mo)]-\m-L-cysteinato(2-)-\k^4^S,N,O:S]
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000(11)
_cell_angle_beta                 108.2022(14)
_cell_angle_gamma                90.0000(11)
_cell_formula_units_Z            2
_cell_length_a                   8.6881(11)
_cell_length_b                   10.3529(8)
_cell_length_c                   9.8686(11)
_cell_measurement_reflns_used    3004
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      5.5
_cell_volume                     843.23(16)
_computing_cell_refinement       'CrystalClear (Rigaku, 1999)'
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2007)'
_computing_molecular_graphics    'CrystalStructure  (Rigaku, 2007)'
_computing_publication_material  'CrystalStructure  (Rigaku, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9357
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_exptl_absorpt_coefficient_mu    3.405
_exptl_absorpt_correction_T_max  0.7269
_exptl_absorpt_correction_T_min  0.3818
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             612.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.94
_refine_ls_abs_structure_details 'Flack (1983), with 2010 Friedel pairs'
_refine_ls_abs_structure_Flack   0.002(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     209
_refine_ls_number_reflns         4556
_refine_ls_number_restraints     15
_refine_ls_R_factor_gt           0.0191
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0303P)^2^+0.5406P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0488
_reflns_number_gt                4549
_reflns_number_total             4556
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            wk2080.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2218268
_cod_database_fobs_code          2218268