Crystal structures of [<i>Ln</i>(NO~3~)~3~(μ~2~-bpydo)~2~], where <i>Ln</i> = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide: layered coordination networks containing 4^4^ grids
Stromyer, Michael L.; Lilly, Cassandra P.; Dillner, Adam J.; Knaust, Jacqueline M.; Acta Crystallographica Section E 72 (2016) 25–30; doi:10.1107/S205698901502318X

data_2241424
_publ_section_title
;
 Crystal structures of [<i>Ln</i>(NO~3~)~3~(\m~2~-bpydo)~2~], where
 <i>Ln</i> = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine
 <i>N</i>,<i>N</i>'-dioxide: layered coordination networks containing 4^4^
 grids
;
_journal_coeditor_code           WM5242
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              25
_journal_page_last               30
_journal_paper_doi               10.1107/S205698901502318X
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Pr (N O3)3 (C10 H8 N2 O2)2]'
_chemical_formula_moiety         'C20 H16 N7 O13 Pr'
_chemical_formula_sum            'C20 H16 N7 O13 Pr'
_chemical_formula_weight         703.31
_chemical_name_systematic
;Poly[[tris(nitrato-\k^2^<i>O</i>,<i>O</i>')praeseodymium(III)]-bis(\m-4,4'-bipyridine
<i>N</i>,<i>N</i>'-dioxide-\k^2^<i>N</i>:<i>N</i>')]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 105.9810(10)
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_cell_length_a                   26.7416(18)
_cell_length_b                   13.3127(9)
_cell_length_c                   13.7586(9)
_cell_measurement_reflns_used    11450
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_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
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X-SEED (Barbour, 2001)
;
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X-SEED (Barbour, 2001)
;
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;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
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_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.583
_diffrn_reflns_theta_min         1.584
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.5790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_description       block
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.891
_refine_diff_density_min         -1.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7241
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0248P)^2^+6.7123P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0511
_refine_ls_wR_factor_ref         0.0524
_reflns_number_gt                6782
_reflns_number_total             7241
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5242sup1.cif
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_cod_depositor_comments
;Adding full bibliography for 2241423--2241425.cif.

 Adding full bibliography for 2241423--2241425.cif.
;
_cod_database_code               2241424
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