catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]
Setifi, Fatima; Setifi, Zouaoui; Geiger, David K.; Al-Douh, Mohammed Hadi; Addala, Abderezak; IUCrData 9 (2024) x240849–; doi:10.1107/S2414314624008496

data_1572540
_publ_section_title
;
 catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-\m-azido]
;
_journal_coeditor_code           BT4154
_journal_issue                   9
_journal_name_full               IUCrData
_journal_page_first              x240849
_journal_paper_doi               10.1107/S2414314624008496
_journal_volume                  9
_journal_year                    2024
_chemical_formula_iupac          '[Co (N3)2 (C9 H8 N2)]'
_chemical_formula_moiety         'C9 H8 Co N8'
_chemical_formula_sum            'C9 H8 Co N8'
_chemical_formula_weight         287.16
_chemical_name_systematic
<i>catena</i>-Poly[[(8-aminoquinoline)cobalt(II)]-di-\m-azido-\k^4^<i>N</i>^1^:<i>N</i>^3^-[(8-aminoquinoline)cobalt(II)]-di-\m-azido-\k^4^<i>N</i>^1^:<i>N</i>^1^]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                97.221(6)
_cell_angle_beta                 102.413(6)
_cell_angle_gamma                111.334(5)
_cell_formula_units_Z            2
_cell_length_a                   7.3526(10)
_cell_length_b                   8.3354(13)
_cell_length_c                   10.4053(17)
_cell_measurement_reflns_used    4847
_cell_measurement_temperature    301.(2)
_cell_measurement_theta_max      32.2587
_cell_measurement_theta_min      4.1518
_cell_volume                     565.36(15)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2009)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2009)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2009)
;
_computing_molecular_graphics
;
<i>ShelXle</i> (H\"ubschle <i>et al.</i>, 2011)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      301.(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur CCD, Sapphire3'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29909
_diffrn_reflns_theta_full        33.34
_diffrn_reflns_theta_max         33.34
_diffrn_reflns_theta_min         2.69
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.512
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2014)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             290
_exptl_crystal_size_max          0.352
_exptl_crystal_size_mid          0.304
_exptl_crystal_size_min          0.217
_refine_diff_density_max         0.720
_refine_diff_density_min         -0.329
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         4356
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0409P)^2^+0.1945P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0875
_reflns_number_gt                3882
_reflns_number_total             4356
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bt4154.cif
_cod_data_source_block           I
_cod_database_code               1572540
_shelx_hkl_checksum              23740
_shelx_res_checksum              71337