One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer
Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius; CrystEngComm 18 (2016) 4779–; doi:10.1039/C6CE00729E

data_7225145
_publ_section_title
;
 One-dimensional coordination polymers constructed from binuclear 3d--4f
 nodes and isonicotinato spacer
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              4779
_journal_paper_doi               10.1039/C6CE00729E
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C35 H26 Co F12 Gd N3 O10'
_chemical_formula_sum            'C35 H26 Co F12 Gd N3 O10'
_chemical_formula_weight         1092.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-04-01 deposited with the CCDC.
2016-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.243(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2965(10)
_cell_length_b                   15.3442(18)
_cell_length_c                   27.151(3)
_cell_measurement_reflns_used    204
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.9239
_cell_measurement_theta_min      2.0467
_cell_volume                     3872.1(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1205
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            147573
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.069
_diffrn_reflns_theta_max         25.069
_diffrn_reflns_theta_min         2.301
_exptl_absorpt_coefficient_mu    2.245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2144
_exptl_crystal_size_max          0.273
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.082
_exptl_transmission_factor_max   0.7458
_exptl_transmission_factor_min   0.6394
_refine_diff_density_max         1.457
_refine_diff_density_min         -2.442
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         6860
_refine_ls_number_restraints     59
_refine_ls_restrained_S_all      1.443
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0288P)^2^+26.6199P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.1001
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5423
_reflns_number_total             6860
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ce00729e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7225145--7225147.cif.'
_cod_database_code               7225145
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              18734