(μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^<i>O</i>-(μ~2~-2-amino-1-methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')-hexacarbonyldirhenium(I)
Schutte, M.; Visser, H. G.; Roodt, A.; Acta Crystallographica Section E 68 (2012) m1359–m1360; doi:10.1107/S1600536812041700

data_2236671
_publ_section_title
;
 (\m~1~-Methanolato-\k^1^<i>O</i>)-\m~1~-methoxo-\k^1^<i>O</i>-(\m~2~-2-amino-1-methyl-5<i>H</i>-imidazol-4-one-\k^2^<i>N</i>:<i>N</i>')-hexacarbonyldirhenium(I)
;
_journal_coeditor_code           TK5155
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1359
_journal_page_last               m1360
_journal_paper_doi               10.1107/S1600536812041700
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Re2 (C H3 O)2 (C O)6 (C4 H6 N3 O)]'
_chemical_formula_moiety         'C12 H12 N3 O9 Re2'
_chemical_formula_sum            'C12 H12 N3 O9 Re2'
_chemical_formula_weight         714.67
_chemical_name_systematic
;
(\m~1~-Methanolato-\k^1^<i>O</i>)-\m~1~-methoxo-\k^1^-<i>O</i>(\m~2~-2-amino-1-
methyl-5<i>H</i>-imidazol-4-one-\k^2^<i>N</i>:<i>N</i>')-
hexacarbonyldirhenium(I)
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.066(2)
_cell_length_b                   10.0715(8)
_cell_length_c                   14.5969(11)
_cell_measurement_reflns_used    9082
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.98
_cell_volume                     3538.0(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            46753
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    13.725
_exptl_absorpt_correction_T_max  0.371
_exptl_absorpt_correction_T_min  0.174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.245
_exptl_crystal_size_mid          0.148
_exptl_crystal_size_min          0.096
_refine_diff_density_max         2.318
_refine_diff_density_min         -2.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.16
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4269
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.16
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.03
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0246P)^2^+32.0137P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0784
_reflns_number_gt                3920
_reflns_number_total             4276
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk5155.cif
_cod_data_source_block           I
_cod_original_cell_volume        3538.1(5)
_cod_database_code               2236671
_cod_database_fobs_code          2236671