Chromous hydrazine sulfate
Parkins, Adrian W.; Prince, Paul D.; Smith, Robert A. L.; Steed, Jonathan W.; Acta Crystallographica Section C 57 (2001) 670–671; doi:10.1107/S0108270101000919

data_2012006
_publ_section_title
;
 Chromous hydrazine sulfate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              670
_journal_page_last               671
_journal_paper_doi               10.1107/S0108270101000919
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Cr (N2 H5)2 (S O4)2]'
_chemical_formula_moiety         'Cr1 H10 N4 O8 S2'
_chemical_formula_structural     'Cr (N2H5)2 (SO4)2'
_chemical_formula_sum            'Cr H10 N4 O8 S2'
_chemical_formula_weight         310.24
_chemical_name_common            'chromous hydrazine sulfate'
_chemical_name_systematic
;
Dihydraziniumchromium(II) sulfate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.596(2)
_cell_angle_beta                 91.830(2)
_cell_angle_gamma                103.493(2)
_cell_formula_units_Z            1
_cell_length_a                   7.2662(3)
_cell_length_b                   5.4568(5)
_cell_length_c                   5.7092(6)
_cell_measurement_reflns_used    1336
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      3.61
_cell_volume                     217.73(3)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics
'XSeed (Barbour, 1999) and  ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9.09
_diffrn_measured_fraction_theta_full .924
_diffrn_measured_fraction_theta_max .924
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '2\% \f frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .021
_diffrn_reflns_av_sigmaI/netI    .040
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            1336
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         3.61
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.832
_exptl_absorpt_correction_T_max  .838
_exptl_absorpt_correction_T_min  .567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             158
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .10
_refine_diff_density_max         .32
_refine_diff_density_min         -.58
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         786
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          .027
_refine_ls_R_factor_gt           .025
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+0.4661P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .074
_reflns_number_gt                751
_reflns_number_total             786
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bm1427.cif
_cod_data_source_block           I
_cod_database_code               2012006