Complexes of divalent europium with dotp and dotpph
Starynowicz, Przemysław; New Journal of Chemistry 45 (2021) 5879–5889; doi:10.1039/D1NJ00393C

data_7060428
_publ_section_title
;
 Complexes of divalent europium with dotp and dotpph
;
_journal_issue                   13
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5879
_journal_page_last               5889
_journal_paper_doi               10.1039/D1NJ00393C
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C38 H60 Eu N10 O10 P4'
_chemical_formula_weight         1092.80
_space_group_crystal_system      monoclinic
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_audit_update_record
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2021-02-15 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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_computing_molecular_graphics
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DIAMOND ver. 6.4.6, Crystal Impact GbR, Bonn, Germany
Author: Klaus Brandenburg
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_computing_publication_material  'publCIF ver.  1.9.21_c and manual editing'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_full        30.000
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_diffrn_reflns_theta_min         1.567
_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2244
_exptl_crystal_size_max          0.2979
_exptl_crystal_size_mid          0.1819
_exptl_crystal_size_min          0.0726
_refine_diff_density_max         0.923
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     594
_refine_ls_number_reflns         14640
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0427
_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^)+(0.0305P)^2^+2.7027P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0896
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11109
_reflns_number_total             14640
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj00393c2.cif
_cod_data_source_block           eucyph
_cod_depositor_comments
'Adding full bibliography for 7060427--7060428.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7060428
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              20407
_shelx_hkl_checksum              66371