The first μ-Ge2Se8 ligand to lanthanide(III) centers: solvothermal syntheses and characterizations of lanthanide selenidogermanate complexes with a pentadentate polyamine as a co-ligand.
Chen, Ruihong; Tang, Weiwei; Liang, Jingjing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian; Dalton transactions (Cambridge, England : 2003) 41 (2012) 12439–12445; doi:10.1039/c2dt30960b

data_7020195
_publ_section_title
;
 The first \m-Ge2Se8 ligand to lanthanide(III) centers: solvothermal
 syntheses and characterizations of lanthanide selenidogermanate complexes
 with a pentadentate polyamine as a co-ligand.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12439
_journal_page_last               12445
_journal_paper_doi               10.1039/c2dt30960b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C8 H24 Gd Ge N5 O Se4'
_chemical_formula_sum            'C8 H24 Gd Ge N5 O Se4'
_chemical_formula_weight         752.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 93.701(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.316(4)
_cell_length_b                   11.667(4)
_cell_length_c                   12.868(4)
_cell_measurement_reflns_used    7722
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      3.2
_cell_volume                     1845.2(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_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  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0756
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10069
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    13.086
_exptl_absorpt_correction_T_max  0.3545
_exptl_absorpt_correction_T_min  0.1794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1388
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.042
_refine_diff_density_min         -1.874
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         3342
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                2096
_reflns_number_total             3342
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30960b.txt
_cod_data_source_block           shelxl2
_cod_original_cell_volume        1845.0(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7020195