[In Process Citation].
Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram; Inorganic chemistry 54 (2015) 3043–3054; doi:10.1021/acs.inorgchem.5b00161

data_4342552
_publ_section_title
;
 [In Process Citation].
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3043
_journal_page_last               3054
_journal_paper_doi               10.1021/acs.inorgchem.5b00161
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C28 H46 Ge N4 P2 Te2'
_chemical_formula_sum            'C28 H46 Ge N4 P2 Te2'
_chemical_formula_weight         828.44
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                87.895(6)
_cell_angle_beta                 80.914(6)
_cell_angle_gamma                89.309(6)
_cell_formula_units_Z            2
_cell_length_a                   9.3375(18)
_cell_length_b                   11.603(2)
_cell_length_c                   15.879(3)
_cell_measurement_reflns_used    10827
_cell_measurement_temperature    125
_cell_measurement_theta_max      27.80
_cell_measurement_theta_min      3.00
_cell_volume                     1697.6(5)
_computing_cell_refinement       'CrystalClear-SM Auto 2.0 r12'
_computing_data_collection       'CrystalClear-SM Auto 2.0 r12 (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear-SM Auto 2.0 r12'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      125
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku SCX mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1365
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13423
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.086
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.703
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             816.00
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.89
_refine_diff_density_min         -1.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5943
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1942
_refine_ls_R_factor_gt           0.1169
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0318P)^2^+64.5315P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2450
_refine_ls_wR_factor_ref         0.2593
_reflns_number_gt                3360
_reflns_number_total             5943
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            combined.cif
_cod_data_source_block           10
_cod_depositor_comments
'Adding full bibliography for 4342550--4342557.cif.'
_cod_database_code               4342552
_shelxl_version_number           2013-2
_shelx_res_checksum              77200
_shelx_hkl_checksum              28757