[(μ<sub>2</sub>-H)(η<sup>2</sup>-Ge<sub>4</sub>)ZnPh<sub>2</sub>]<sup>3-</sup>, an edge-on protonated E<sub>4</sub> cluster establishing the first three-center two-electron Ge-H-Ge bond.
Henneberger, Thomas; Klein, Wilhelm; Dums, Jasmin V.; Fässler, Thomas F; Chemical communications (Cambridge, England) 54 (2018) 12381–12384; doi:10.1039/c8cc06843g

data_7122428
_publ_section_title
;
 [(\m<sub>2</sub>-H)(\h<sup>2</sup>-Ge<sub>4</sub>)ZnPh<sub>2</sub>]<sup>3-</sup>,
 an edge-on protonated E<sub>4</sub> cluster establishing the first
 three-center two-electron Ge-H-Ge bond.
;
_journal_issue                   87
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12381
_journal_page_last               12384
_journal_paper_doi               10.1039/c8cc06843g
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety
'C12 H11 Ge4 Zn, 2(C12 H24 K0.045 O6 Rb0.955), C12 H30 K N2 O6, 6(H3 N)'
_chemical_formula_sum            'C48 H107 Ge4 K1.09 N8 O18 Rb1.91 Zn'
_chemical_formula_weight         1646.01
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-01 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8668(5)
_cell_length_b                   28.2571(9)
_cell_length_c                   20.0883(6)
_cell_measurement_reflns_used    18626
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.6064
_cell_measurement_theta_min      2.6560
_cell_volume                     7303.7(4)
_computing_cell_refinement
; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_data_collection
; 
 CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
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; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_molecular_graphics    DIAMOND
_computing_structure_refinement  SHELXL-2014/7
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Xcalibur 3'
_diffrn_measurement_method       '\w and \p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0790
_diffrn_reflns_av_unetI/netI     0.0728
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            84521
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
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_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_min         2.672
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_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72597
_exptl_absorpt_correction_type   multi-scan
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;
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_description       block
_exptl_crystal_F_000             3378
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Ammonia'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.688
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         7173
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.866
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0345
_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^)+(0.0357P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                4177
_reflns_number_total             7173
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc06843g2.cif
_cod_data_source_block           TH205_orange
_cod_depositor_comments
'Adding full bibliography for 7122428--7122429.cif.'
_cod_database_code               7122428
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              45718