Crystallography Open Database

Information card for entry 4301445

Preview

Coordinates	4301445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 B F4 N5 O4 Ru
Calculated formula	C28 H22 B F4 N5 O4 Ru
SMILES	[Ru]123(OC(=O)c4[n]3c3c(cc4)cccc3)([n]3c4ccccc4ccc3C(=O)N1c1cc(c(cc1[NH2]2)C)C)N=O.[B](F)(F)(F)[F-]
Title of publication	Accelerated Photorelease of NO from {Ru-NO}6 Nitrosyls Containing Carboxamido-N and Carboxylato-O Donors: Syntheses, Structures, and Photochemistry
Authors of publication	Genevieve M. Halpenny; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1490 - 1497
a	7.3221 ± 0.0017 Å
b	12.982 ± 0.003 Å
c	15.497 ± 0.004 Å
α	98.244 ± 0.003°
β	99.337 ± 0.003°
γ	101.954 ± 0.003°
Cell volume	1397.9 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179052 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14.	4301445.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301445.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301445.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301445.cif