Two-dimensional double metal cyanide complexes: highly active catalysts for the homopolymerization of propylene oxide and copolymerization of propylene oxide and carbon dioxide.
Robertson, Nicholas J.; Qin, Zengquan; Dallinger, Gregory C.; Lobkovsky, Emil B.; Lee, Stephen; Coates, Geoffrey W.; Dalton transactions (Cambridge, England : 2003)  (2006) 5390–5395; doi:10.1039/b607963f

data_7007638
_publ_section_title
;
 Two-dimensional double metal cyanide complexes: highly active
 catalysts for the homopolymerization of propylene oxide and
 copolymerization of propylene oxide and carbon dioxide.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5390
_journal_page_last               5395
_journal_paper_doi               10.1039/b607963f
_journal_year                    2006
_chemical_formula_sum            'C2 H6 Co0.5 N2 O3 Pd0.5'
_chemical_formula_weight         188.75
_chemical_name_systematic
;
?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.041(2)
_cell_length_b                   14.217(3)
_cell_length_c                   7.4030(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1267.3(4)
_computing_cell_refinement       HKL2000
_computing_data_collection       HKL2000
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.843
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_device_type
;
ADSC (Area Detector Systems Corporation) Quantum 210 CCD
;
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_source         'Cornell High Energy Synchrotron Source'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.93600
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            721
_diffrn_reflns_theta_full        30.09
_diffrn_reflns_theta_max         30.09
_diffrn_reflns_theta_min         4.09
_exptl_absorpt_coefficient_mu    2.745
_exptl_absorpt_correction_T_max  0.9810
_exptl_absorpt_correction_T_min  0.8311
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pink-orange
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.608
_refine_diff_density_min         -1.543
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     79
_refine_ls_number_reflns         721
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.428
_refine_ls_shift/su_mean         0.060
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1172P)^2^+3.2729P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1651
_reflns_number_gt                651
_reflns_number_total             721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607963f.txt
_cod_data_source_block           PdCo
_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 
;
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum        'C2 H6 Co0.50 N2 O3 Pd0.50'
_cod_database_code               7007638