A stable heavier group 14 analogue of vinylidene
Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge; Nature Chemistry 8 (2016) 1022–1026; doi:10.1038/nchem.2597

data_1552006
_publ_section_title
;
 A stable heavier group 14 analogue of vinylidene
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              1022
_journal_page_last               1026
_journal_paper_doi               10.1038/nchem.2597
_journal_volume                  8
_journal_year                    2016
_chemical_formula_moiety         'C52 H72 B2 Ge2 N4'
_chemical_formula_sum            'C52 H72 B2 Ge2 N4'
_chemical_formula_weight         919.93
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 112.271(4)
_cell_angle_gamma                90
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_cell_length_a                   22.4542(7)
_cell_length_b                   10.5244(3)
_cell_length_c                   23.6510(8)
_cell_measurement_reflns_used    12914
_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      3.4406
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_computing_cell_refinement       'CrysAlisPro, (Agilent, 2011)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.978
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_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0330
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.978
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         73.564
_diffrn_reflns_theta_min         3.443
_exptl_absorpt_coefficient_mu    1.692
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, (Agilent, 2011)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.181
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         10189
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0498P)^2^+1.5759P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            nchem.2597-s7.cif
_cod_data_source_block           099arjc15_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1552006
_shelx_res_checksum              38409
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