Heptaphosphide cluster anions bearing group 14 element amide functionalities.
Quintero, Gabriela Espinoza; Paterson-Taylor, Isabelle; Rees, Nicholas H.; Goicoechea, Jose M.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 1930–1936; doi:10.1039/c5dt02380g

data_7035822
_publ_section_title
;
 Heptaphosphide cluster anions bearing group 14 element amide
 functionalities.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1930
_journal_page_last               1936
_journal_paper_doi               10.1039/c5dt02380g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'2(C12 H24 K O6), C6 H18 N P7 Si2 Ge, 2(C5 H5 N)'
_chemical_formula_sum            'C40 H76 Ge K2 N3 O12 P7 Si2'
_chemical_formula_weight         1214.79
_chemical_name_systematic
;
 [K(18-crown-6)]2[P7Ge{N(SiMe3)2}]*2py
;
_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
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-06-23 deposited with the CCDC.
2015-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                87.7490(10)
_cell_angle_beta                 72.7480(10)
_cell_angle_gamma                77.0530(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0810(2)
_cell_length_b                   15.6526(3)
_cell_length_c                   15.7164(3)
_cell_measurement_reflns_used    60699
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      5.097
_cell_volume                     2993.78(10)
_computing_cell_refinement
;
KappaCCD software "DENZO" (Otwinowski & Minor, 1996)
;
_computing_data_collection
;
KappaCCD software "Collect" (Nonius, 2000)
;
_computing_data_reduction
;
KappaCCD software "DENZO" (Otwinowski & Minor, 1996)
;
_computing_molecular_graphics    'WinGX (Farrugia, 2005)'
_computing_publication_material  'XCIF (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_laue_measured_fraction_full 0.990
_diffrn_reflns_laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23615
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
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_diffrn_reflns_theta_min         5.113
_exptl_absorpt_coefficient_mu    0.930
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_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
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_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.963
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0526P)^2^+1.2658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1057
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10679
_reflns_number_total             13670
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02380g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7035822--7035823.cif.'
_cod_database_code               7035822
_shelx_estimated_absorpt_t_min   0.801
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_shelx_res_checksum              35666