The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?
Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.; Chemical science 16 (2025) 20265–20274; doi:10.1039/d5sc04265h

data_1575790
_publ_section_title
;
 The path to an open-shell metallo-germylene: direct ligation, or
 reduction and metathesis?
;
_journal_issue                   43
_journal_name_full               'Chemical science'
_journal_page_first              20265
_journal_page_last               20274
_journal_paper_doi               10.1039/d5sc04265h
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C63 H91 Co Ge2 N4 P2 Si2'
_chemical_formula_sum            'C63 H91 Co Ge2 N4 P2 Si2'
_chemical_formula_weight         1226.62
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-10 deposited with the CCDC.	2025-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                88.00(3)
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_cell_angle_gamma                72.30(3)
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_cell_length_b                   13.450(3)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      1.92
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_computing_cell_refinement       'STOE X-AREA 1.76'
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_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
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_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
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_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.457
_diffrn_source                   'Genix 3D HF Mo'
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_diffrn_source_power             0.050
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_exptl_absorpt_coefficient_mu    1.202
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_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.03
_platon_squeeze_details
;
The unit cell contains 2 pentane molecules and 2 diethyl ether molecules which have been treated
as a diffuse contribution to the overall scattering without specific atom
positions by SQUEEZE/PLATON.
;
_refine_diff_density_max         0.433
_refine_diff_density_min         -0.425
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_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^)+(0.0467P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0943
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_reflns_number_gt                8874
_reflns_number_total             13892
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           8
_cod_depositor_comments
'Adding full bibliography for 1575788--1575792.cif.'
_cod_original_cell_volume        3531.6(14)
_cod_database_code               1575790
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              95092
_shelx_fab_checksum              6485