Crystallography Open Database

Information card for entry 1514751

Preview

Coordinates	1514751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H41 F12 N7 O0 P2
Calculated formula	C39 H41 F12 N7 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n12c[n+](cc1)Cc1c3c(c(c4c1cccc4)C[n+]1cn(cc1)Cc1c(c(c(cc1C)C)C2)C)cccc3.N#CC.N#CC.N#CC
Title of publication	Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.
Authors of publication	Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
Journal of publication	Metallomics : integrated biometal science
Year of publication	2014
Journal volume	6
Journal issue	8
Pages of publication	1460 - 1468
a	12.9199 ± 0.0009 Å
b	15.8918 ± 0.0008 Å
c	20.2181 ± 0.0011 Å
α	90°
β	95.307 ± 0.002°
γ	90°
Cell volume	4133.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
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.	1514751.cif
121728	2014-08-08	cif/ Updating files of 1514751, 1514753, 1514758, 1514760 Original log message: Adding full bibliography for 1514751--1514760.cif.	1514751.cif
110245	2014-04-18	cif/ Adding structures of 1514751 via cif-deposit CGI script.	1514751.cif