Hexaaquanickel(II) <small>D</small>-Camphor-10-sulfonate
Henderson, W.; Nicholson, B.K.; Acta Crystallographica Section C 51 (1995) 37–40; doi:10.1107/S0108270194006542

data_2010397
_publ_section_title
;
 Hexaaquanickel(II) <small>D</small>-Camphor-10-sulfonate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              37
_journal_page_last               40
_journal_paper_doi               10.1107/S0108270194006542
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C20 H42 Ni1 O14 S2'
_chemical_formula_sum            'C20 H42 Ni O14 S2'
_chemical_formula_weight         629.37
_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'
_atom_type_scat_source           'SHELXL93 (Sheldrick, 1993)'
_cell_angle_alpha                90.
_cell_angle_beta                 94.22(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.677(2)
_cell_length_b                   7.064(2)
_cell_length_c                   17.078(2)
_cell_measurement_reflns_used    37
_cell_measurement_temperature    143
_cell_measurement_theta_max      28
_cell_measurement_theta_min      10
_cell_volume                     1404.9(5)
_diffrn_measurement_device       'Nicolet R3'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0192
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2834
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.993-1.006
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.90
_exptl_absorpt_correction_T_max  0.674
_exptl_absorpt_correction_T_min  0.613
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'pale blue-green'
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_description       tablet
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.038
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     375
_refine_ls_number_reflns         2694
_refine_ls_R_factor_obs          0.0491
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; w = [\s^2^(F~o~^2^) + (0.0440P)^2^ + 0.15P]
where P = [max(F~o~^2^,0) + 2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         0.0721
_reflns_number_observed          2222
_reflns_number_total             2694
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            oh1067.cif
_cod_data_source_block           oh1067_structure_1_of_1
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C20 H42 Ni1 O14 S2'
_cod_database_code               2010397