Crystallography Open Database

Information card for entry 7702965

Preview

Coordinates	7702965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 I O2 Ru
Calculated formula	C16 H19 I O2 Ru
Title of publication	Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.
Authors of publication	Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1181 - 1190
a	8.1567 ± 0.0005 Å
b	10.104 ± 0.0007 Å
c	10.3448 ± 0.0007 Å
α	111.683 ± 0.007°
β	91.422 ± 0.006°
γ	93.468 ± 0.005°
Cell volume	789.77 ± 0.1 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2123
Weighted residual factors for all reflections included in the refinement	0.2224
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation probe	x-ray
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
247723 (current)	2020-02-04	cif/ Updating files of 7702963, 7702964, 7702965, 7702966, 7702967, 7702968 Original log message: Adding full bibliography for 7702963--7702968.cif.	7702965.cif
245232	2019-12-17	cif/ Adding structures of 7702963, 7702964, 7702965, 7702966, 7702967, 7702968 via cif-deposit CGI script.	7702965.cif