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

data_7060427
_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            'C12 H64 Eu N4 Na6 O32 P4'
_chemical_formula_weight         1190.45
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2021-02-15 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
;
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_cell_length_c                   15.045(2)
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_cell_measurement_temperature    100.00(11)
_cell_measurement_theta_max      31.2590
_cell_measurement_theta_min      3.2610
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_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics
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DIAMOND ver. 6.4.6, Crystal Impact GbR, Bonn, Germany
Author: Klaus Brandenburg
;
_computing_publication_material  'publCIF ver.  1.9.21_c and manual editing'
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_diffrn_detector_area_resol_mean 10.3456
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
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)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_description       irregular
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_exptl_crystal_size_max          0.154
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_exptl_crystal_size_min          0.081
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_refine_ls_restrained_S_all      1.085
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+7.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0937
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12391
_reflns_number_total             14129
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj00393c2.cif
_cod_data_source_block           eudotp
_cod_depositor_comments
'Adding full bibliography for 7060427--7060428.cif.'
_cod_original_cell_volume        2162.8(8)
_cod_database_code               7060427
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              30387
_shelx_hkl_checksum              71073