Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models
Lenstra, A. T. H.; Kataeva, O. N.; Acta Crystallographica Section B 57 (2001) 497–506; doi:10.1107/S0108768101004050

data_2103715
_publ_section_title
;
 Structures of copper(II) and manganese(II) di(hydrogen malonate)
 dihydrate; effects of intensity profile truncation and background
 modelling on structure models
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              497
_journal_page_last               506
_journal_paper_doi               10.1107/S0108768101004050
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C6 H10 Cu O10'
_chemical_formula_sum            'C6 H10 Cu O10'
_chemical_formula_weight         305.68
_chemical_name_systematic        ' Copper(II) bis(hydrogenmalonate) dihydrate'
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_gamma                90.00
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_cell_length_b                   7.5017(8)
_cell_length_c                   9.6760(10)
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_cell_measurement_theta_max      23.0
_cell_measurement_theta_min      10.0
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_computing_data_collection       CAD4_(Enraf-Nonius,_1994)
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_computing_publication_material  BTABLE_PTABLE_CIF_IN_MolEN_(Fair,_1990)
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_computing_structure_solution    Patterson_and_Fourier
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_diffrn_measurement_device_type  Enraf_Nonius_CAD4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
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_exptl_crystal_colour            blue
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' 'weight  4Fo^2^/(\s^2^(Fo^2^) + 0.0001 Fo^4^)''
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_refine_ls_structure_factor_coef F
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_reflns_threshold_expression     >0.0\s(I)
_cod_data_source_file            lc0029.cif
_cod_data_source_block           Cu294K
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'psi_scan' changed to 'psi-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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'psi_scan' changed to
'psi-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        503.6(2)
_cod_database_code               2103715
_cod_database_fobs_code          2103715