Crystallography Open Database

Information card for entry 4331127

Preview

Coordinates	4331127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H56 Cl3 F24 N21 O2 P4 Ru2
Calculated formula	C73 H56 Cl3 F24 N21 O2 P4 Ru2
Title of publication	Pteridine Cleavage Facilitates DNA Photocleavage by Ru(II) Polypyridyl Compounds
Authors of publication	Benjamin R. Williams; Shannon R. Dalton; Meredith Skiba; Sung Eun Kim; Allison Shatz; Patrick J. Carroll; Sharon J. Nieter Burgmayer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12669 - 12681
a	12.5301 ± 0.0009 Å
b	17.2969 ± 0.0011 Å
c	21.1287 ± 0.0014 Å
α	99.01 ± 0.003°
β	106.559 ± 0.002°
γ	103.733 ± 0.002°
Cell volume	4138.3 ± 0.5 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2539
Weighted residual factors for all reflections included in the refinement	0.2914
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179414 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/11.	4331127.cif
80590	2013-04-08	cif/ Adding structures of 4331127 via cif-deposit CGI script.	4331127.cif