P22- and P3- Units in the [Rh8P9]δ- Polyanion of La4Rh8P9
Ulrike Pfannenschmidt; Dirk Johrendt; Frederik Behrends; Hellmut Eckert; Matthias Eul; Rainer Pöttgen; Inorganic Chemistry 50 (2011) 3044–3051; doi:10.1021/ic102570x

data_4324796
_publ_section_title
;
 P22- and P3- Units in the [Rh8P9]\d- Polyanion of La4Rh8P9
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3044
_journal_page_last               3051
_journal_paper_doi               10.1021/ic102570x
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'La4 P9 Rh8'
_chemical_formula_weight         1657.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.031(2)
_cell_length_b                   18.932(2)
_cell_length_c                   5.7670(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1422.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            8794
_diffrn_reflns_theta_full        31.95
_diffrn_reflns_theta_max         31.95
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    21.707
_exptl_crystal_density_diffrn    7.739
_exptl_crystal_F_000             2892
_refine_diff_density_max         1.172
_refine_diff_density_min         -1.808
_refine_diff_density_rms         0.397
_refine_ls_extinction_coef       0.00253(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     65
_refine_ls_number_reflns         1380
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0181
_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^)+(0.0102P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0268
_refine_ls_wR_factor_ref         0.0279
_reflns_number_gt                1184
_reflns_number_total             1380
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102570x_si_001.cif
_cod_data_source_block           la4rh8p9
_cod_database_code               4324796