Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands
Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.; Acta Crystallographica Section C Structural Chemistry 73 (2017) –; doi:10.1107/S2053229617009263

data_2020802
_publ_section_title
;
 Two novel bimetallic transition metal--uranyl one-dimensional
 coordination polymers with manganese(II) and cobalt(II) incorporating
 bridging diglycolate (2,2&#x2032;-oxydiacetate) ligands
;
_journal_issue                   8
_journal_name_full
'Acta Crystallographica Section C Structural Chemistry'
_journal_paper_doi               10.1107/S2053229617009263
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Co U (C4 H4 O5)2 O2 (H2 O)4], 2H2 O'
_chemical_formula_moiety         'C8 H16 Co O16 U, 2(H2 O)'
_chemical_formula_sum            'C8 H20 Co O18 U'
_chemical_formula_weight         701.20
_chemical_name_systematic
'<i>catena</i>-Poly[[[tetraaquacobalt(II)]-\m-2,2'-oxydiacetato-[dioxidouranium(VI)]-\m-2,2'-oxydiacetato] dihydrate]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                106.356(12)
_cell_angle_beta                 93.891(10)
_cell_angle_gamma                115.130(16)
_cell_formula_units_Z            1
_cell_length_a                   6.997(2)
_cell_length_b                   7.185(3)
_cell_length_c                   11.043(3)
_cell_measurement_reflns_used    9382
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.62
_cell_measurement_theta_min      3.33
_cell_volume                     470.9(3)
_computing_cell_refinement
;
SAINT (Bruker, 2005)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2005)
;
_computing_molecular_graphics
;
CrystalMaker (Palmer, 2014)
;
_computing_publication_material
;
WinGX (Farrugia, 2012), PLATON (Spek, 2009)
and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR92 (Altomare <i>et al.</i>,  1994)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker D8 Quest/Photon 100'
_diffrn_measurement_method       omega
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16760
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.586
_diffrn_reflns_theta_min         3.294
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.556
_exptl_absorpt_correction_T_max  0.38178
_exptl_absorpt_correction_T_min  0.20925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1999)
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.473
_exptl_crystal_description       Block
_exptl_crystal_F_000             331
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.781
_refine_diff_density_min         -2.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.267
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2596
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.267
_refine_ls_R_factor_all          0.0170
_refine_ls_R_factor_gt           0.0170
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0175P)^2^+0.0378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0399
_refine_ls_wR_factor_ref         0.0399
_reflns_number_gt                2596
_reflns_number_total             2596
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            fn3236sup1.cif
_cod_data_source_block           compound_2
_cod_database_code               2020802
_shelx_estimated_absorpt_t_min   0.185
_shelx_estimated_absorpt_t_max   0.258
_shelx_hkl_checksum              96079
_shelx_res_checksum              61889