Crystal structure of μ~3~-chloro- μ~3~-hydroxo-tris (μ-chloro)tris(tetramethylethylenediamine)trinickel(II) iodide, [Ni~3~(C~6~H~16~N~2~)~3~Cl~4~(OH)]I
Miyamoto, K.; Koizumi, R.; Horn, E.; Fukuda, Y.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 123–125; doi:

data_8101788
_publ_section_title
;
Crystal structure of \m~3~-chloro- \m~3~-hydroxo-tris
(\m-chloro)tris(tetramethylethylenediamine)trinickel(II) iodide, 
[Ni~3~(C~6~H~16~N~2~)~3~Cl~4~(OH)]I
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              123
_journal_page_last               125
_journal_volume                  221
_journal_year                    2006
_chemical_formula_moiety         'C18 H49 Cl4 I N6 O Ni3'
_chemical_formula_structural     '[C18 H49 Cl4 N6 O Ni3]I'
_chemical_formula_sum            'C18 H49 Cl4 I N6 Ni3 O'
_chemical_formula_weight         810.44
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.70(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.562(7)
_cell_length_b                   12.220(2)
_cell_length_c                   18.849(4)
_cell_measurement_reflns_used    5385
_cell_measurement_temperature    273.2
_cell_measurement_theta_max      55.80
_cell_measurement_theta_min      4.907
_cell_volume                     6845(3)
_computing_cell_refinement       'Bruker Software, SAINT-plus'
_computing_data_collection       'Bruker AXS Smart Apex CCD'
_computing_data_reduction        'Bruker Software, SAINT-plus'
_computing_molecular_graphics    ORTEP
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9994
_diffrn_measured_fraction_theta_max 0.9994
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       omega/phi
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.106
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20466
_diffrn_reflns_theta_full        25.90
_diffrn_reflns_theta_max         25.90
_exptl_absorpt_coefficient_mu    2.869
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.640
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.01
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.182
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3203
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          1.4236
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                3203
_reflns_number_total             6636
_reflns_threshold_expression     >3sigma(F^2^)
_cod_data_source_file            1267-1542.cff
_cod_data_source_block           '[C18H49Cl4IN6ONi3]Cl'
_cod_original_cell_volume        6844(2)
_cod_original_sg_symbol_H-M      C12/c1
_cod_original_formula_sum        'C18 H49 Cl4 I N6 O Ni3 '
_cod_database_code               8101788