Heptaaquabis(hydrogen maleato-κ<i>O</i>)europium(III) hydrogen maleate monohydrate
Shen, Qing-Yue; Lu, Chun-Hua; Ji, Qing; Wu, Wen-Yuan; Xu, Zhong-Zi; Acta Crystallographica Section E 63 (2007) m1419–m1420; doi:10.1107/S1600536807017953

data_2213129
_publ_section_title
;
 Heptaaquabis(hydrogen maleato-\k<i>O</i>)europium(III) hydrogen
 maleate monohydrate
;
_journal_coeditor_code           BI2168
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1419
_journal_page_last               m1420
_journal_paper_doi               10.1107/S1600536807017953
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Eu(C4 H3 O4)2 (H2 O)7] (C4 H3 O4), H2 O'
_chemical_formula_moiety         'C8 H20 Eu O15 +, C4 H3 O4 -, H2 O'
_chemical_formula_sum            'C12 H25 Eu O20'
_chemical_formula_weight         641.28
_chemical_name_systematic
;
Heptaaquabis(hydrogen maleato-\k<i>O</i>)europium(III) hydrogen maleate
monohydrate
;
_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                72.08(3)
_cell_angle_beta                 88.06(3)
_cell_angle_gamma                70.89(3)
_cell_formula_units_Z            2
_cell_length_a                   7.2220(14)
_cell_length_b                   10.350(2)
_cell_length_c                   16.672(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      10
_cell_volume                     1117.3(5)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4740
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.29
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.901
_exptl_absorpt_correction_T_max  0.568
_exptl_absorpt_correction_T_min  0.375
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.818
_refine_diff_density_min         -1.125
_refine_ls_extinction_coef       0.0244(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4370
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0270
_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^)+(0.0416P)^2^+1.2441P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0706
_reflns_number_gt                4144
_reflns_number_total             4370
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2168.cif
_cod_data_source_block           I
_cod_database_code               2213129
_cod_database_fobs_code          2213129