A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ~6~-oxalato-chromium(III)potassium(I)]
Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Ponou, Siméon; Dahaoui, Slimane; Lambi Ngolui, John; Lecomte, Claude; Acta Crystallographica Section C 70 (2014) 12–15; doi:10.1107/S205322961303088X

data_2019427
_publ_section_title
;
 A new heteroleptic oxalate-based compound:
 poly[[2-(aminomethyl)pyridine]di-\m~6~-oxalato-chromium(III)potassium(I)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              12
_journal_page_last               15
_journal_paper_doi               10.1107/S205322961303088X
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[K Cr (C2 O2)2 (C6 H8 N2)]'
_chemical_formula_moiety         'C10 H8 Cr K N2 O8'
_chemical_formula_sum            'C10 H8 Cr K N2 O8'
_chemical_formula_weight         375.28
_chemical_name_systematic
;
Poly[[2-(aminomethyl)pyridine]di-\m~6~-oxalato-chromium(III)potassium(I)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 125.860(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.1492(9)
_cell_length_b                   14.8618(9)
_cell_length_c                   13.1617(11)
_cell_measurement_reflns_used    24083
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      37.9199
_cell_measurement_theta_min      1.9031
_cell_volume                     2560.1(3)
_computing_cell_refinement       'APEX2 (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_data_reduction
'CrysAlis PRO (Agilent, 2011) [should this be SAINT (Bruker, 2013)?]'
_computing_molecular_graphics
;
DIAMOND for Windows (Brandenburg, 2004) and
Mercury for Windows (Macrae <i>et al.</i>,2006)
;
_computing_publication_material  'enCIFer (CCDC, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker D8 Venture Photon'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            34973
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.265
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.81212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO, Agilent, 2011)
[should this be SADABS (Bruker, 2013)?]
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.578
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         2946
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_gt           0.034
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0477P)^2^+7.8680P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.091
_reflns_number_gt                2509
_reflns_number_total             2946
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            qs3032sup1.cf
_cod_data_source_block           I
_cod_database_code               2019427
_cod_database_fobs_code          2019427