Heterometallic 3d‒4f {Co2Gd4} phosphonates: new members of the potential magnetic cooler family
Doroshenko, Iaroslav; Buchholz, Axel; Domincova Bergerova, Eva; Plass, Winfried; Pinkas, Jiri; New Journal of Chemistry 44 (2020) 513–521; doi:10.1039/C9NJ05071J

data_7059160
_publ_section_title
;
 Heterometallic 3d--4f {Co2Gd4} phosphonates: new members of the potential
 magnetic cooler family
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              513
_journal_page_last               521
_journal_paper_doi               10.1039/C9NJ05071J
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C92 H112 Br6 Co2 Gd4 N10 Na2 O36 P6'
_chemical_formula_weight         3392.03
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-30 deposited with the CCDC.	2019-11-28 downloaded from the CCDC.
;
_cell_angle_alpha                100.792(3)
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_cell_angle_gamma                105.193(2)
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_cell_length_c                   30.095(3)
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_cell_measurement_temperature    120(2)
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_cell_volume                     6676.2(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device
;
AFC11 (Right): Eulerian 3 circle
;
_diffrn_measurement_device_type
;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from \w-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_radiation_monochromator  Multilayer
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.985
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_diffrn_reflns_limit_l_min       -32
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_diffrn_reflns_point_group_measured_fraction_full 0.985
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_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.493
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    4.146
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_exptl_crystal_description       prism
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0325P)^2^+30.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.0998
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21614
_reflns_number_total             23179
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05071j2.cif
_cod_data_source_block           0808a_sq
_cod_depositor_comments
;Adding full bibliography for 7059159--7059161.cif.

 Adding full bibliography for 7059159--7059161.cif.
;
_cod_database_code               7059160
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              55306