Crystallography Open Database

Information card for entry 4345368

Preview

Coordinates	4345368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.1 H39.05 F12 N6.55 O1.7 P2 Ru
Calculated formula	C43.1 H37.65 F12 N6.55 O1.7 P2 Ru
Title of publication	Ru(II)-Complex-Based DNA Photocleaver Having Intense Absorption in the Phototherapeutic Window.
Authors of publication	Zhang, Yangyang; Zhou, Qianxiong; Tian, Na; Li, Chao; Wang, Xuesong
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1865 - 1873
a	45.529 ± 0.008 Å
b	9.8536 ± 0.0014 Å
c	24.146 ± 0.004 Å
α	90°
β	120.826 ± 0.002°
γ	90°
Cell volume	9302 ± 3 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
198632 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 524 files were changed.	4345368.cif
192935	2017-03-04	cif/ Adding structures of 4345368 via cif-deposit CGI script.	4345368.cif