Crystallography Open Database

Information card for entry 7027998

Preview

Coordinates	7027998.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-[a2Pt(TMA)(9-EtGH0.5)](ClO4)(NO3)0.5(H2O)0.8'
Formula	C15 H27.1 Cl N12.5 O7.3 Pt
Calculated formula	C15 H23.5 Cl N12.5 O7.3 Pt
Title of publication	Dimerization of metallated nucleobase pairs via hydrogen-bond formation: open metallated base quartets of mixed adenine-N 3, guanine-N 7 complexes of trans-(H3N)2PtII with two different guanine‒guanine pairing schemes
Authors of publication	Meiser, Cordula; Freisinger, Eva; Lippert, Bernhard
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	12
Pages of publication	2059
a	9.131 ± 0.002 Å
b	17.354 ± 0.003 Å
c	17.113 ± 0.003 Å
α	90°
β	98.04 ± 0.03°
γ	90°
Cell volume	2685.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for all reflections	0.1094
Weighted residual factors for significantly intense reflections	0.0821
Goodness-of-fit parameter for all reflections	0.92
Goodness-of-fit parameter for significantly intense reflections	1.074
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027998.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.	7027998.cif
97532	2014-01-29	cif/ Adding structures of 7027997, 7027998 via cif-deposit CGI script.	7027998.cif