Chain-like and dinuclear coordination polymers in lanthanide (Nd, Eu) oxochloride complexes with 2,2':6',2''-terpyridine: synthesis, XRD structure and magnetic properties.
Lhoste, Jérôme; Pérez-Campos, Ana; Henry, Natacha; Loiseau, Thierry; Rabu, Pierre; Abraham, Francis; Dalton transactions (Cambridge, England : 2003) 40 (2011) 9136–9144; doi:10.1039/c1dt10485c

data_7016432
_publ_section_title
;
 Chain-like and dinuclear coordination polymers in lanthanide (Nd, Eu)
 oxochloride complexes with 2,2':6',2''-terpyridine: synthesis, XRD
 structure and magnetic properties.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9136
_journal_page_last               9144
_journal_paper_doi               10.1039/c1dt10485c
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         '(Nd 3+). (C15 N3 H11). 3(Cl 1-). 1(H2 O)'
_chemical_formula_sum            'C15 H13 Cl3 N3 Nd O'
_chemical_formula_weight         501.88
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.5230(10)
_cell_angle_beta                 109.8560(10)
_cell_angle_gamma                112.8540(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7770(3)
_cell_length_b                   9.9885(3)
_cell_length_c                   10.2489(3)
_cell_measurement_reflns_used    9867
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      35.891
_cell_measurement_theta_min      2.47
_cell_volume                     841.44(5)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART/SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0166
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            71980
_diffrn_reflns_theta_full        33.14
_diffrn_reflns_theta_max         33.14
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    3.567
_exptl_absorpt_correction_T_max  0.6858
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'empirical (SADABS)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.636
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.256
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         6395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.256
_refine_ls_R_factor_all          0.0187
_refine_ls_R_factor_gt           0.0159
_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^)+(0.0302P)^2^+0.1242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0570
_reflns_number_gt                6007
_reflns_number_total             6395
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10485c.txt
_cod_data_source_block           apc2142tercon
_cod_original_cell_volume        841.43(4)
_cod_database_code               7016432