Solid-State Coordination Chemistry: Structural Influences of Copper-Phenanthroline Subunits on Oxovanadium Organophosphonate Phases. Hydrothermal Synthesis and Structural Characterization of the Two-Dimensional Materials [Cu(phen)(VO)(O3PCH2PO3)(H2O)], [{Cu(phen)}2(V2O5)(O3PCH2CH2PO3)], and [{Cu(phen)}2(V3O5)(O3PCH2CH2CH2PO3)2(H2O)] and of the Three-Dimensional Phase [{Cu(phen)}2(V3O5)(O3PCH2PO3)2(H2O)]
Robert C. Finn; Robert Lam; John E. Greedan; Jon Zubieta; Inorganic Chemistry 40 (2001) 3745–3754; doi:10.1021/ic010186i

data_4319991
_publ_section_title
;
 Solid-State Coordination Chemistry: Structural Influences of
 Copper-Phenanthroline Subunits on Oxovanadium Organophosphonate Phases.
 Hydrothermal Synthesis and Structural Characterization of the
 Two-Dimensional Materials [Cu(phen)(VO)(O3PCH2PO3)(H2O)],
 [{Cu(phen)}2(V2O5)(O3PCH2CH2PO3)], and
 [{Cu(phen)}2(V3O5)(O3PCH2CH2CH2PO3)2(H2O)] and of the Three-Dimensional
 Phase [{Cu(phen)}2(V3O5)(O3PCH2PO3)2(H2O)]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3745
_journal_page_last               3754
_journal_paper_doi               10.1021/ic010186i
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C26 H20 Cu2 N4 O11 P2 V2'
_chemical_formula_weight         855.36
_chemical_name_systematic
;

   ?

;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                71.3690(10)
_cell_angle_beta                 70.7900(10)
_cell_angle_gamma                80.7380(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6096(5)
_cell_length_b                   11.6951(5)
_cell_length_c                   13.1796(6)
_cell_measurement_temperature    90(2)
_cell_volume                     1460.49(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 0.908
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9621
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    2.236
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.691
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0801P)^2^+0.5694P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1127
_reflns_number_gt                5746
_reflns_number_total             6588
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010186i_2.cif
_cod_data_source_block           p-1
_cod_original_cell_volume        1460.50(11)
_cod_database_code               4319991