Different Structural Networks Determined by Variation of the Ligand Skeleton in Copper(II) Diphosphinate Coordination Polymers
Costantino, Ferdinando; Ienco, Andrea; Midollini, Stefano; Crystal Growth & Design 10 (2010) 7–; doi:10.1021/cg900748r

data_4502236
_publ_section_title
;
 Different Structural Networks Determined by Variation of the Ligand
 Skeleton in Copper(II) Diphosphinate Coordination Polymers
;
_journal_issue                   1
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              7
_journal_paper_doi               10.1021/cg900748r
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C30 Cu N2 O4 P2'
_chemical_formula_weight         577.83
_chemical_name_systematic        ' ?'
_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'
_audit_creation_date             2009-08-31T11:27
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2009-08-31T11:27  Initial CIF as created by GSAS2CIF'
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_cell_formula_units_Z            4
_cell_length_a                   11.351(3)
_cell_length_b                   11.071(3)
_cell_length_c                   22.530(5)
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_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.7
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_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
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'from C:/Documents and Settings/FERDINANDO/Documenti/ferdinando/lav'
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_pd_proc_info_datetime           2009-08-31T11:27:42
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 24 terms.
 Shifted Chebyshev function of 1st kind
      1:    1338.18     2:   -1229.27     3:    358.091     4:    44.4170    
      5:   -218.512     6:    152.548     7:   -89.3279     8:    41.1416    
      9:   -63.7748    10:    105.501    11:   -129.434    12:    121.472    
     13:   -65.1363    14:   -5.36403    15:    51.5384    16:   -47.3304    
     17:    23.1324    18:   -10.0618    19:    15.1156    20:   -24.4489    
     21:    28.6114    22:   -15.2013    23:   0.287175    24:    8.25515    
;
_pd_proc_ls_peak_cutoff          0.01000
_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 Peak tails are ignored  where the intensity is below 0.0100 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0537
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_reflns_limit_l_max              22
_reflns_limit_l_min              -23
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_cod_data_source_file            cg900748r_si_004.cif
_cod_data_source_block           CUPXIL14_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (100
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (62 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2807.3(12)
_cod_database_code               4502236
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000