Synthetic Copper Monophosphate
Yamashita, A.; Kawahara, A.; Sasaki, N.; Acta Crystallographica Section C 51 (1995) 1483–1485; doi:10.1107/S0108270193008145

data_2003830
_publ_section_title
;
 Synthetic Copper Monophosphate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1483
_journal_page_last               1485
_journal_paper_doi               10.1107/S0108270193008145
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'hydrothermal synthesis'
_chemical_formula_moiety         'Cu9 O2 (P1 O4 )4 (O1 H1 )2'
_chemical_formula_sum            'Cu9 H2 O20 P4'
_chemical_formula_weight         1017.85
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                102.54(2)
_cell_angle_beta                 94.37(2)
_cell_angle_gamma                113.57(2)
_cell_formula_units_Z            1
_cell_length_a                   8.166(2)
_cell_length_b                   8.845(2)
_cell_length_c                   5.934(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      55
_cell_measurement_theta_min      25
_cell_volume                     377.05(16)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            1657
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.44
_exptl_absorpt_correction_T_max  0.148
_exptl_absorpt_correction_T_min  0.125
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            'emerald green'
_exptl_crystal_density_diffrn    4.48
_exptl_crystal_description       granular
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.04
_refine_diff_density_min         -1.79
_refine_ls_goodness_of_fit_obs   1.77
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     154
_refine_ls_number_reflns         1631
_refine_ls_R_factor_obs          0.042
_refine_ls_shift/esd_max         0.11
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.057
_reflns_number_observed          1652
_reflns_number_total             1657
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            oh1045.cif
_cod_data_source_block           oh1045a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'spherical' was replaced
with 'sphere' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        377.0(2)
_cod_original_formula_sum        'H2 Cu9 O20 P4'
_cod_database_code               2003830