Crystallography Open Database

Information card for entry 7705130

Preview

Coordinates	7705130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 Cl F6 Fe Ir N2 P
Calculated formula	C33 H35 Cl F6 Fe Ir N2 P
Title of publication	Preparation and the anticancer mechanism of configuration-controlled Fe(II)-Ir(III) heteronuclear metal complexes.
Authors of publication	Shao, Mingxiao; Liu, Xicheng; Sun, Yiwei; Dou, Shuaihua; Chen, Qi; Yuan, Xiang-Ai; Tian, Laijin; Liu, Zhe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12599 - 12609
a	8.8471 ± 0.001 Å
b	20.875 ± 0.002 Å
c	19.174 ± 0.002 Å
α	90°
β	94.529 ± 0.002°
γ	90°
Cell volume	3530.1 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
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	0.043
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
257542 (current)	2020-10-06	cif/ Updating files of 7705130 Original log message: Adding full bibliography for 7705130.cif.	7705130.cif
255282	2020-08-13	cif/ Adding structures of 7705130 via cif-deposit CGI script.	7705130.cif