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赂霉戮脻CCDC潞脜麓脫CCDC鹿脵脥酶脧脗脭脴碌脛拢潞
#######################################################################
#
# This file contains crystal structure data downloaded from the
# Cambridge Structural Database (CSD) hosted by the Cambridge
# Crystallographic Data Centre (CCDC).
#
# Full information about CCDC data access policies and citation
# guidelines are available at https://www.ccdc.cam.ac.uk/access/V1
#
# Audit and citation data items may have been added by the CCDC.
# Please retain this information to preserve the provenance of
# this file and to allow appropriate attribution of the data.
#
#######################################################################
data_VITPFE
#This CIF has been generated from an entry in the Cambridge Structural Database
#No coordinates were deposited by the authors
_database_code_depnum_ccdc_archive 'CCDC 1284741'
_database_code_CSD VITPFE
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/ja00404a059 1981
_audit_creation_method 'Created from the CSD'
_audit_update_record
;
2024-12-25 downloaded from the CCDC.
;
_database_code_NBS 538526
_chemical_formula_moiety 'C58 H36 Cl3 Fe1 N4,C1 H2 Cl2'
_chemical_name_systematic
'Chloro-(bis(p-chlorophenyl)-vinylidene)-meso-tetraphenylporphyrin-iron methylene chloride solvate'
_chemical_absolute_configuration unk
_diffrn_ambient_temperature 140
_diffrn_radiation_probe x-ray
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
_space_group_name_Hall '-P 2yn'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 19.654(5)
_cell_length_b 12.418(2)
_cell_length_c 23.453(5)
_cell_angle_alpha 90
_cell_angle_beta 103.10(2)
_cell_angle_gamma 90
_cell_volume 5575.06
#END
#######################################################################
#
# This file contains crystal structure data downloaded from the
# Cambridge Structural Database (CSD) hosted by the Cambridge
# Crystallographic Data Centre (CCDC).
#
# Full information about CCDC data access policies and citation
# guidelines are available at https://www.ccdc.cam.ac.uk/access/V1
#
# Audit and citation data items may have been added by the CCDC.
# Please retain this information to preserve the provenance of
# this file and to allow appropriate attribution of the data.
#
#######################################################################
data_VIPRFE
#This CIF has been generated from an entry in the Cambridge Structural Database
#No coordinates were deposited by the authors
_database_code_depnum_ccdc_archive 'CCDC 1284360'
_database_code_CSD VIPRFE
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/ja00400a084 1981
_audit_creation_method 'Created from the CSD'
_audit_update_record
;
2024-12-25 downloaded from the CCDC.
;
_database_code_NBS 538524
_chemical_formula_moiety 'C62 H44 Cl3 Fe1 N4,2(C2 H4 Cl2)'
_chemical_name_systematic
'Chloro-2,2-bis(p-chlorophenyl)-N-vinylidene-meso-tetra-p-tolylporphyrin-iron(iii) 1,2-dichloroethane solvate'
_chemical_absolute_configuration unk
_diffrn_ambient_temperature 295
_exptl_crystal_density_diffrn 1.36939
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.09
_refine_ls_wR_factor_gt 0.09
_diffrn_radiation_probe x-ray
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
_space_group_name_Hall '-P 2yn'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 20.355(5)
_cell_length_b 12.390(3)
_cell_length_c 23.847(5)
_cell_angle_alpha 90
_cell_angle_beta 103.6(3)
_cell_angle_gamma 90
_cell_volume 5845.54
_cell_formula_units_Z 4
#END |
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