m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials
Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain; CrystEngComm 11 (2009) 556–559; doi:10.1039/b816132c

data_7215543
_publ_section_title
;
 m-phosphonobenzoic acid and copper(II) as precursors of helical chain and
 lamellar hybrid materials
;
_journal_coden_ASTM              CRECF4
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_journal_name_full               CrystEngComm
_journal_page_first              556
_journal_page_last               559
_journal_paper_doi               10.1039/b816132c
_journal_volume                  11
_journal_year                    2009
_chemical_absolute_configuration ad
_chemical_compound_source        'hydrothermal synthesis'
_chemical_formula_moiety         'C28 H16 Cu6 O20 P4, 7(H2 O1)'
_chemical_formula_sum            'C28 H30 Cu6 O27 P4'
_chemical_formula_weight         1303.7
_space_group_IT_number           179
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 65 2 (0 0 1)'
_symmetry_space_group_name_H-M   'P 65 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
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_cell_length_b                   14.656(3)
_cell_length_c                   16.905(2)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      30.
_cell_measurement_theta_min      6.
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_diffrn_reflns_limit_k_max       20
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_diffrn_reflns_limit_l_max       15
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_exptl_absorpt_correction_T_min  0.552
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            green
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_exptl_crystal_description       needle
_exptl_crystal_F_000             1926
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_refine_ls_abs_structure_details friedel-pairs
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0528
_reflns_number_gt                1881
_reflns_number_total             3051
_reflns_threshold_expression     I>3\s(I)
_cod_duplicate_entry             7200473
_cod_data_source_file            b816132c.cif
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-18

 Marked entry as a duplicate of entry 7200473.

 Antanas Vaitkus,
 2019-09-18
;
_cod_original_cell_volume        3144.8(10)
_cod_original_sg_symbol_Hall     'P 65 2 ( 0 0 1 )'
_cod_database_code               7215543