Crystallography Open Database

Information card for entry 7702963

Preview

Coordinates	7702963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 N3 O3 Ru
Calculated formula	C23 H29 N3 O3 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	12.1133 ± 0.0005 Å
b	12.942 ± 0.0007 Å
c	15.0302 ± 0.0008 Å
α	70.115 ± 0.005°
β	84.171 ± 0.004°
γ	84.068 ± 0.004°
Cell volume	2198.4 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 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	0.0555
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	7702963.cif
245232	2019-12-17	cif/ Adding structures of 7702963, 7702964, 7702965, 7702966, 7702967, 7702968 via cif-deposit CGI script.	7702963.cif