Tipping the balance between <i>twist</i> and <i>chair</i> ligand conformers in multinuclear ethylzinc cyclophosphazenates.
Boomishankar, Ramamoorthy; Richards, Philip I.; Steiner, Alexander; Dalton transactions (Cambridge, England : 2003) 54 (2025) 2628–2633; doi:10.1039/d4dt03004d

data_7717714
_publ_section_title
;
 Tipping the balance between <i>twist</i> and <i>chair</i> ligand
 conformers in multinuclear ethylzinc cyclophosphazenates.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2628
_journal_page_last               2633
_journal_paper_doi               10.1039/d4dt03004d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C56 H134 N18 P6 Zn11'
_chemical_formula_sum            'C56 H134 N18 P6 Zn11'
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Air-sensitive,Moisture-sensitive,Oxygen-sensitive
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_audit_update_record
;
2024-09-12 deposited with the CCDC.	2024-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      200(2)
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_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'STOE IPDS'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.1002
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_diffrn_reflns_limit_h_max       15
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_diffrn_source                   sealed-tube
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_exptl_absorpt_correction_type   numerical
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_description       prism
_exptl_crystal_F_000             4064
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.1083
_refine_ls_R_factor_gt           0.0669
_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^)+(0.0911P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1703
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7383
_reflns_number_total             13259
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03004d2.cif
_cod_data_source_block           PHIL147
_cod_depositor_comments
'Adding full bibliography for 7717713--7717716.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7717714
_shelx_shelxl_version_number     2018/1
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