(4,4'-Bipyridine)dichloromanganese(II), a two-dimensional coordination polymer
Chippindale, Ann M.; Cowley, Andrew R.; Peacock, Katherine J.; Acta Crystallographica Section C 56 (2000) 651–652; doi:10.1107/S0108270100003474

data_2011014
_publ_section_title
;
 (4,4'-Bipyridine)dichloromanganese(II), a two-dimensional coordination
 polymer
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              651
_journal_page_last               652
_journal_paper_doi               10.1107/S0108270100003474
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Mn Cl2 (C10 H8 N2)]'
_chemical_formula_moiety         'C10 H8  Cl2 Mn1 N2'
_chemical_formula_sum            'C10 H8 Cl2 Mn N2'
_chemical_formula_weight         282.04
_chemical_name_systematic
;
4,4'-bipyridinedichloromanganese(II)
;
_space_group_IT_number           50
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.641(2)
_cell_length_b                   11.955(2)
_cell_length_c                   3.6780(10)
_cell_measurement_reflns_used    2342
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.57
_cell_measurement_theta_min      0
_cell_volume                     511.86(19)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'XPRESS (MacScience, 1989)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1996)'
_computing_molecular_graphics    'ATOMS for Windows (Dowty, 1997)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_max .985
_diffrn_measurement_device_type  'Enraf-Nonius DIP2000 image plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .024
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2342
_diffrn_reflns_theta_max         26.57
_diffrn_reflns_theta_min         .0
_exptl_absorpt_coefficient_mu    1.73
_exptl_absorpt_correction_T_max  .708
_exptl_absorpt_correction_T_min  .501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO-SMN; Otwinowski & Minor, 1996)'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.83
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             282
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .2
_refine_diff_density_max         .38
_refine_diff_density_min         -.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.0537
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         527
_refine_ls_R_factor_obs          .033
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef Fsq
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (294, 403, 112; Carruthers & Watkin,
1979)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .038
_reflns_number_observed          527
_reflns_number_total             527
_reflns_observed_criterion       I>0
_cod_data_source_file            jz1389.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic ' changed to 'orthorhombic'
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:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Orthorhombic ' changed to 'orthorhombic' 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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        511.86
_cod_original_sg_symbol_Hall     'P 2ab 2b'
_cod_original_sg_symbol_H-M      'P b a n'
_cod_original_formula_sum        'C10 H8  Cl2 Mn1 N2'
_cod_database_code               2011014
_cod_database_fobs_code          2011014