Crystallography Open Database

Information card for entry 4347813

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Coordinates	4347813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 F12 N6.5 P2 Ru
Calculated formula	C27 H30 F12 N6.5 P2 Ru
Title of publication	Effects of Methyl Substitution in Ruthenium Tris(2-pyridylmethyl)amine Photocaging Groups for Nitriles.
Authors of publication	Arora, Karan; White, Jessica K.; Sharma, Rajgopal; Mazumder, Shivnath; Martin, Philip D.; Schlegel, H. Bernhard; Turro, Claudia; Kodanko, Jeremy J.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	14
Pages of publication	6968 - 6979
a	12.5538 ± 0.0011 Å
b	12.7608 ± 0.0011 Å
c	39.841 ± 0.004 Å
α	90°
β	93.501 ± 0.003°
γ	90°
Cell volume	6370.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0543
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.245
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
232517 (current)	2019-11-23	cif/ Adding structures of 4347813 via cif-deposit CGI script.	4347813.cif