Crystallography Open Database

Information card for entry 7702966

Preview

Coordinates	7702966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N Ru
Calculated formula	C14 H19 N 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	7.6382 ± 0.0003 Å
b	20.2298 ± 0.0009 Å
c	8.0749 ± 0.0003 Å
α	90°
β	99.314 ± 0.004°
γ	90°
Cell volume	1231.28 ± 0.09 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
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	0.0332
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7702966.cif
245232	2019-12-17	cif/ Adding structures of 7702963, 7702964, 7702965, 7702966, 7702967, 7702968 via cif-deposit CGI script.	7702966.cif