Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) <i>cis</i>-aqua-2κ<i>O</i>-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>-heptacyanido-1κ^7^<i>C</i>-bis(ethane-1,2-diamine-2κ^2^<i>N</i>,<i>N</i>')cobalt(II)molybdenum(IV) dihydrate
Purcell, W.; Visser, Hendrik G.; Acta Crystallographica Section E 64 (2008) m1438–m1439; doi:10.1107/S1600536808033564

data_2219772
_publ_section_title
;Tris(ethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')cobalt(II)
 <i>cis</i>-aqua-2\k<i>O</i>-\m-cyanido-1:2\k^2^<i>C</i>:<i>N</i>-heptacyanido-1\k^7^<i>C</i>-bis(ethane-1,2-diamine-2\k^2^<i>N</i>,<i>N</i>')cobalt(II)molybdenum(IV)
 dihydrate
;
_journal_coeditor_code           BI2302
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1438
_journal_page_last               m1439
_journal_paper_doi               10.1107/S1600536808033564
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Co (C2 H8 N2)3] [Co Mo (C N)8 (C2 H8 N2)2 (H2 O)], 2H2 O'
_chemical_formula_moiety
'C6 H24 Co N6 2+, C12 H18 Co Mo N12 O 2-, 2(H2 O)'
_chemical_formula_sum            'C18 H46 Co2 Mo N18 O3'
_chemical_formula_weight         776.53
_chemical_name_systematic
;
Tris(ethane-1,2-diamine-\k^2^N,N')cobalt(II) <i>cis</i>-aqua-2\kO-\m-cyanido-
1:2\k^2^C:N-heptacyanido-1\k^7^C-bis(ethane-1,2-diamine-
2\k^2^N,N')cobalt(II)molybdenum(IV) dihydrate
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5377(3)
_cell_length_b                   14.8830(3)
_cell_length_c                   18.7376(4)
_cell_measurement_reflns_used    5696
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.07
_cell_volume                     3217.54(13)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction
'SAINT-Plus (Bruker, 2004) and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            41911
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.445
_exptl_absorpt_correction_T_max  0.750
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.461
_refine_diff_density_min         -1.642
_refine_ls_abs_structure_details 'Flack (1983), 3559 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.063(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8019
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.028
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0424P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                6732
_reflns_number_total             8019
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2302.cif
_cod_data_source_block           I
_cod_database_code               2219772
_cod_database_fobs_code          2219772