Crystallography Open Database

Information card for entry 1553262

Preview

Coordinates	1553262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.2 H31.8 Cl Ir N5 O0.2
Calculated formula	C29.2 H31.8 Cl Ir N5 O0.2
Title of publication	Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.
Authors of publication	Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.
Journal of publication	Journal of medicinal chemistry
Year of publication	2018
Journal volume	61
Journal issue	16
Pages of publication	7330 - 7344
a	9.804 ± 0.00017 Å
b	15.8991 ± 0.0002 Å
c	18.4457 ± 0.0003 Å
α	82.7271 ± 0.0013°
β	86.7456 ± 0.0014°
γ	72.239 ± 0.0014°
Cell volume	2715.65 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0479
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
234022 (current)	2019-11-23	cif/ Adding structures of 1553262 via cif-deposit CGI script.	1553262.cif