Crystallography Open Database

Information card for entry 1514859

Preview

Coordinates	1514859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H16 N10 O7 Pt2
Calculated formula	C2 H16 N10 O7 Pt2
SMILES	[Pt]1([OH][Pt]([n]2n1nc(n2)C)([NH3])[NH3])([NH3])[NH3].O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles.
Authors of publication	Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko
Journal of publication	Metallomics : integrated biometal science
Year of publication	2013
Journal volume	5
Journal issue	5
Pages of publication	461 - 468
a	6.76 ± 0.01 Å
b	12.76 ± 0.03 Å
c	18.06 ± 0.03 Å
α	90°
β	92.31 ± 0.04°
γ	90°
Cell volume	1557 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514859.cif
110370	2014-04-18	cif/ Adding structures of 1514859 via cif-deposit CGI script.	1514859.cif