A novel one-dimensional complex: <i>catena</i>-poly[[manganese(III)-di-μ-2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^2^<i>O</i>^1^,<i>N</i>:κ<i>O</i>^2^;κ<i>O</i>^2^:κ^2^<i>O</i>^1^] chloride]
Zhang, Li-Fang; Ni, Zhong-Hai; Zong, Zhi-Min; Wei, Xian-Yong; Ge, Chun-Hua; Kou, Hui-Zhong; Acta Crystallographica Section C 61 (2005) m542–m544; doi:10.1107/S0108270105034219

data_2015101
_publ_section_title
;A novel one-dimensional complex:
 <i>catena</i>-poly[[manganese(III)-di-\m-2-[(2-hydroxyethyl)iminomethyl]phenolato-\k^2^<i>O</i>^1^,<i>N</i>:\k<i>O</i>^2^;\k<i>O</i>^2^:\k^2^<i>O</i>^1^]
 chloride]
;
_journal_coeditor_code           AV1257
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m542
_journal_page_last               m544
_journal_paper_doi               10.1107/S0108270105034219
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Mn (C9 H10 N O2)2] Cl '
_chemical_formula_moiety         'C18 H20 Mn N2 O4 +, Cl -'
_chemical_formula_sum            'C18 H20 Cl Mn N2 O4'
_chemical_formula_weight         418.76
_chemical_name_systematic
;
catena-poly[[manganese(III)-di-\m-2-[(2-hydroxyethyl)iminomethyl]phenolato-
\k^2^O^1^,N:\kO^2^;\kO^2^:\k^2^O^1^] chloride]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 112.091(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.202(8)
_cell_length_b                   5.700(2)
_cell_length_c                   18.703(9)
_cell_measurement_reflns_used    2054
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.77
_cell_volume                     1798.0(13)
_computing_cell_refinement       CrystalStructure
_computing_data_collection
'CrystalStructure (Rigaku/MSC & Rigaku Corporation, 2004)'
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  XP
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0924
_diffrn_reflns_av_sigmaI/netI    0.1171
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6807
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.77
_exptl_absorpt_coefficient_mu    0.909
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.416
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     122
_refine_ls_number_reflns         2054
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0254P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1027
_reflns_number_gt                1571
_reflns_number_total             2054
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            av1257.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'multi scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1797.9(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2015101
_cod_database_fobs_code          2015101