Crystallography Open Database

Information card for entry 1519408

1519407 << 1519408 >> 1519409

Preview

Coordinates	1519408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Cl N5 O4 Pt
Calculated formula	C25 H22 Cl N5 O4 Pt
SMILES	[Pt]12([n]3c(c4[n]1[nH]cc4)cccc3c1c2cccc1)C#[N]c1c(cccc1C)C.Cl(=O)(=O)(=O)[O-].N#CC
Title of publication	Luminescent platinum(ii) complexes with self-assembly and anti-cancer properties: hydrogel, pH dependent emission color and sustained-release properties under physiological conditions
Authors of publication	Tsai, Johnson Lui-Lui; Zou, Taotao; Liu, Jia; Chen, Tianfeng; Chan, Anna On-Yee; Yang, Chen; Lok, Chun-Nam; Che, Chi-Ming
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	7
Pages of publication	3823
a	7.2307 ± 0.0003 Å
b	12.06 ± 0.0005 Å
c	14.471 ± 0.0006 Å
α	74.425 ± 0.0017°
β	82.9797 ± 0.0018°
γ	79.6363 ± 0.0018°
Cell volume	1192.09 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
143344 (current)	2015-07-10	cif/ Updating files of 1519408 Original log message: Adding full bibliography for 1519408.cif.	1519408.cif
135795	2015-05-09	cif/ Adding structures of 1519408 via cif-deposit CGI script.	1519408.cif