A zigzag chain structure in <i>catena</i>-poly[[[tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II,III)]-μ-chloro] methanol solvate]
Ebihara, Masahiro; Fuma, Yasuhiro; Acta Crystallographica Section C 62 (2006) m556–m558; doi:10.1107/S0108270106040121

data_2015636
_publ_section_title
;A zigzag chain structure in
 <i>catena</i>-poly[[[tetra-\m-acetamidato-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-dirhodium(II,III)]-\m-chloro]
 methanol solvate]
;
_journal_coeditor_code           FA3040
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m556
_journal_page_last               m558
_journal_paper_doi               10.1107/S0108270106040121
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Rh2 Cl (C2 H4 N O)4], C H4 O'
_chemical_formula_moiety         'C8 H16 Cl N4 O4 Rh2, C H4 O'
_chemical_formula_sum            'C9 H20 Cl N4 O5 Rh2'
_chemical_formula_weight         505.56
_chemical_name_systematic
;
poly[\m-chloro-tetra-\m-acetamidato-\k4N:O;\k4O:N-dirhodium(II,III) methanol
 solvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.854(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.601(4)
_cell_length_b                   14.254(7)
_cell_length_c                   12.664(7)
_cell_measurement_reflns_used    4776
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1534.1(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection
'CrystalClear (Molecular Structure Corporation & Rigaku Corporation, 2001)'
_computing_data_reduction
'teXsan (Molecular Structure Corporation & Rigaku Corporation, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and teXsan'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12335
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    2.351
_exptl_absorpt_correction_T_max  0.7547
_exptl_absorpt_correction_T_min  0.6235
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(NUMABS; Higashi, 1999)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.189
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.799
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         3496
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0256P)^2^+3.6476P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                3246
_reflns_number_total             3496
_reflns_threshold_expression     ' I>2\s(I)'
_cod_data_source_file            fa3040.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015636
_cod_database_fobs_code          2015636