Crystallography Open Database

Information card for entry 4323728

Preview

Coordinates	4323728.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(N,N'-Dimethyl-2,4-diaminopentane)dichloroplatinum(II) ?
Formula	C7 H18 Cl2 N2 Pt
Calculated formula	C7 H18 Cl2 N2 Pt
SMILES	C[NH]1[Pt]([NH]([C@H](C)C[C@@H]1C)C)(Cl)Cl
Title of publication	Factors Influencing the Configuration and Conformation of Diamine Chelate Rings in Platinum(II) Compounds: 2,4-Bis(methylamino)pentane Complexes
Authors of publication	Leonardo Cerasino; Kevin M. Williams; Francesco P. Intini; Renzo Cini; Luigi G. Marzilli; Giovanni Natile
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	6070 - 6079
a	11.998 ± 0.001 Å
b	13.167 ± 0.002 Å
c	7.449 Å
α	90°
β	90°
γ	90°
Cell volume	1176.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for all reflections	0.0626
Weighted residual factors for significantly intense reflections	0.0594
Goodness-of-fit parameter for all reflections	1.075
Goodness-of-fit parameter for significantly intense reflections	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270074 (current)	2021-10-24	cif/4 Fixing Z values and formulae	4323728.cif
179340	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/37.	4323728.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4323728.cif
134573	2015-04-01	cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values.	4323728.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323728.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323728.cif
23977	2011-08-12	../uploads/cif-deposit/cod/cif Adding structures of 4323728 via cif-deposit CGI script.	4323728.cif