Crystallography Open Database

Information card for entry 4340225

Preview

Coordinates	4340225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 N8 O6 Pt
Calculated formula	C8 H14 N8 O6 Pt
SMILES	[Pt]([NH3])([NH3])([n]1ccncc1)[n]1ccncc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Pyrazine as a building block for molecular architectures with PtII.
Authors of publication	Willermann, Michael; Mulcahy, Clodagh; Sigel, Roland K. O.; Cerdà, Marta Morell; Freisinger, Eva; Sanz Miguel, Pablo J.; Roitzsch, Michael; Lippert, Bernhard
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	2093 - 2099
a	5.81 ± 0.0012 Å
b	15.87 ± 0.003 Å
c	16.473 ± 0.003 Å
α	90°
β	95.61 ± 0.03°
γ	90°
Cell volume	1511.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
179505 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02.	4340225.cif
118691	2014-06-30	cif/ Adding structures of 4340225 via cif-deposit CGI script.	4340225.cif