Crystallography Open Database

Information card for entry 1507951

Preview

Coordinates	1507951.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gandelman-106(Yuri)
Formula	C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75
Calculated formula	C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75
Title of publication	Nitrenium ions as ligands for transition metals.
Authors of publication	Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	7
Pages of publication	525 - 531
a	48.783 ± 0.007 Å
b	16.309 ± 0.002 Å
c	16.08 ± 0.002 Å
α	90°
β	92.627 ± 0.003°
γ	90°
Cell volume	12780 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1475
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507951.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507951.cif
62497	2012-07-09	cif/ Adding structures of 1507951 via cif-deposit CGI script.	1507951.cif