New Synthetic Approach to Yttrium Hydroxoacetates, Structural Characterization, and Use as a Precursor for Coated Conductors
Peter Lobinger; Harald Jarzina; Herbert W. Roesky; Sanjay Singh; S. Shravan Kumar; Hans-Georg Schmidt; Matthias Noltemeyer; Herbert C. Freyhardt; Inorganic Chemistry 44 (2005) 9192–9196; doi:10.1021/ic0505192

data_4310150
_publ_section_title
;
New Synthetic Approach to Yttrium Hydroxoacetates, Structural
Characterization, and Use as a Precursor for Coated Conductors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9192
_journal_page_last               9196
_journal_paper_doi               10.1021/ic0505192
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C12 H34 O20 Y2'
_chemical_formula_weight         676.21
_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                91.86(3)
_cell_angle_beta                 113.97(3)
_cell_angle_gamma                117.91(3)
_cell_formula_units_Z            1
_cell_length_a                   8.8125(18)
_cell_length_b                   9.1769(18)
_cell_length_c                   10.346(2)
_cell_measurement_temperature    200(2)
_cell_volume                     649.4(4)
_computing_cell_refinement       DIF4
_computing_data_collection       DIF4
_computing_data_reduction        REDU4
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe AED2'
_diffrn_measurement_method       'profile fit'
_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  0.1139
_diffrn_reflns_av_sigmaI/netI    0.0890
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7564
_diffrn_reflns_theta_full        29.48
_diffrn_reflns_theta_max         29.48
_diffrn_reflns_theta_min         3.88
_diffrn_standards_interval_time  '90 min'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.528
_exptl_absorpt_correction_T_max  0.2105
_exptl_absorpt_correction_T_min  0.1720
_exptl_absorpt_correction_type   'azimuthal scans'
_exptl_absorpt_process_details   semiempiric
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.50
_refine_diff_density_max         2.417
_refine_diff_density_min         -2.682
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         3617
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0542
_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^)+(0.0840P)^2^+0.1200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1384
_refine_ls_wR_factor_ref         0.1454
_reflns_number_gt                3142
_reflns_number_total             3617
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0505192si20050826_111738_1.cif
_cod_data_source_block           Compound1
_cod_original_cell_volume        649.4(2)
_cod_database_code               4310150