Crystallography Open Database

Information card for entry 7124648

Preview

Coordinates	7124648.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ru(bpa)(NH3)(DMSO)
Formula	C29 H32 F12 N6 O3 P2 Ru S
Calculated formula	C29 H32 F12 N6 O3 P2 Ru S
Title of publication	Octahedral ruthenium complexes selectively stabilize G-quadruplexes.
Authors of publication	He, Lei; Chen, Xiang; Meng, Zhenyu; Wang, Jintao; Tian, Keyin; Li, Tianhu; Shao, Fangwei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	52
Pages of publication	8095 - 8098
a	11.5273 ± 0.0004 Å
b	12.9572 ± 0.0004 Å
c	24.0256 ± 0.0007 Å
α	90°
β	97.6261 ± 0.0017°
γ	90°
Cell volume	3556.8 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.136
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1928
Weighted residual factors for all reflections included in the refinement	0.2432
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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