Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.
Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter; Dalton transactions (Cambridge, England : 2003) 49 (2020) 17183–17193; doi:10.1039/d0dt03315d

data_7706084
_publ_section_title
;
 Bifunctional Fe(II) spin crossover-complexes based on
 \w-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17183
_journal_page_last               17193
_journal_paper_doi               10.1039/d0dt03315d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C8 H16 Cl Gd N8 O7'
_chemical_formula_weight         529
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_update_record
;
2020-08-23 deposited with the CCDC.	2020-10-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.838(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.0057(4)
_cell_length_b                   11.2323(6)
_cell_length_c                   8.0169(9)
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_cell_measurement_temperature    100
_cell_measurement_theta_max      62.3
_cell_measurement_theta_min      3.3
_cell_volume                     1620.5(2)
_computing_cell_refinement       unknown
_computing_data_collection       unknown
_computing_data_reduction        unknown
_computing_molecular_graphics    unknown
_computing_structure_solution    unknown
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -26
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_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       4
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_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_type   multi-scan
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_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.0433
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0367
_refine_ls_wR_factor_ref         0.0375
_reflns_number_gt                2505
_reflns_number_total             2927
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d0dt03315d2.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C8 H16 Cl1 Gd1 N8 O7'
_cod_database_code               7706084