Exo-bonded six-membered heterocycle in the crystal structures of RE7Co2Ge4 (RE = La-Nd).
Ponou, Siméon; Lidin, Sven; Dalton transactions (Cambridge, England : 2003) 45 (2016) 18522–18531; doi:10.1039/c6dt03302d

data_7041002
_publ_section_title
;
 Exo-bonded six-membered heterocycle in the crystal structures of
 RE7Co2Ge4 (RE = La-Nd).
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18522
_journal_page_last               18531
_journal_paper_doi               10.1039/c6dt03302d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'Ce7 Co2 Ge4'
_chemical_formula_weight         1389.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-08-03 deposited with the CCDC.
2016-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.413(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3483(5)
_cell_length_b                   12.3288(5)
_cell_length_c                   12.3228(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1339.50(11)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.893
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.893
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11821
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.913
_diffrn_reflns_theta_min         2.408
_exptl_absorpt_coefficient_mu    34.413
_exptl_crystal_density_diffrn    6.888
_exptl_crystal_F_000             2352
_refine_diff_density_max         1.406
_refine_diff_density_min         -1.184
_refine_diff_density_rms         0.298
_refine_ls_extinction_coef       0.000291(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.261
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         3161
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.261
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0126P)^2^+5.6017P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0616
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2713
_reflns_number_total             3161
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03302d1.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7041002--7041005.cif.'
_cod_database_code               7041002
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              79435