Ladder-like [CrCu] coordination polymers containing unique bridging modes of [Cr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sup>3-</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.
KaniŽaj, Lidija; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor; Šantić, Ana; Jurić, Marijana; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7891–7898; doi:10.1039/c9dt01195a

data_7049884
_publ_section_title
;
 Ladder-like [CrCu] coordination polymers containing unique bridging modes
 of [Cr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sup>3-</sup> and
 Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7891
_journal_page_last               7898
_journal_paper_doi               10.1039/c9dt01195a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C13 H7 Cr1 Cu1 N2 O5.5'
_chemical_formula_sum            'C13 H8 Cr Cu N2 O5.5'
_chemical_formula_weight         395.75
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-01-22T13:28:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2019-02-08 deposited with the CCDC.    2019-04-29 downloaded from the CCDC.
;
_cell_angle_alpha                91.630(6)
_cell_angle_beta                 109.709(7)
_cell_angle_gamma                95.890(7)
_cell_formula_units_Z            2
_cell_length_a                   7.2322(6)
_cell_length_b                   9.7882(8)
_cell_length_c                   10.0034(6)
_cell_measurement_reflns_used    1701
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.8996
_cell_measurement_theta_min      4.5479
_cell_volume                     661.63(9)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4323
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Xcalibur, Ruby, Nova'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0872
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4683
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.09
_diffrn_reflns_theta_min         4.552
_exptl_absorpt_coefficient_mu    9.057
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.75634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             394
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.225
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2593
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0619
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1031P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1772
_reflns_number_gt                2144
_reflns_number_total             2593
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01195a2.cif
_cod_data_source_block           lidija_p7_zuti_100k
_cod_depositor_comments
'Adding full bibliography for 7049883--7049885.cif.'
_cod_original_formula_sum        'C13 H8 Cr1 Cu1 N2 O5.5'
_cod_database_code               7049884