The crystallisation of copper(ii) phenylphosphonates.
Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska; Dalton transactions (Cambridge, England : 2003) 45 (2016) 17453–17463; doi:10.1039/c6dt02904c

data_7040827
_publ_section_title
;
 The crystallisation of copper(ii) phenylphosphonates.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17453
_journal_page_last               17463
_journal_paper_doi               10.1039/c6dt02904c
_journal_volume                  45
_journal_year                    2016
_chemical_compound_source        'mechanochemical synthesis'
_chemical_formula_moiety         'C12 H14 Cu O7 P2'
_chemical_formula_sum            'C12 H14 Cu O7 P2'
_chemical_formula_weight         395.73
_chemical_name_common            Copper(II)-bis(phenylphosphonate)_Monohydrate
_chemical_name_mineral           CuPhP2
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_update_record
;
2016-07-05 deposited with the CCDC.
2016-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.5312(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.6115(3)
_cell_length_b                   6.08670(6)
_cell_length_c                   7.62568(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      2
_cell_volume                     1454.60(2)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'D8 Discover, Bruker AXS'
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5406
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_pd_meas_2theta_range_inc        0.009
_pd_meas_2theta_range_max        60
_pd_meas_2theta_range_min        4
_pd_proc_info_excluded_regions   none
_pd_proc_ls_prof_wR_factor       3.29
_pd_proc_number_of_points        6222
_pd_spec_mounting                '0.5 mm glass capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              10
_pd_spec_size_equat              0.5
_pd_spec_size_thick              0.5
_refine_ls_goodness_of_fit_all   2.98
_refine_ls_R_I_factor            6.62
_cod_data_source_file            c6dt02904c2.cif
_cod_data_source_block           CuPhP2
_cod_depositor_comments
;
 Removing the '_space_group' data item since it was not found in the core CIF
 dictionary and the same information was already provided in the official
 space group data items. No information was lost by removing this data item.

 Antanas Vaitkus,
 2017-03-06

Adding full bibliography for 7040825--7040827.cif.
;
_cod_database_code               7040827