Crystallography Open Database

Information card for entry 7704295

Preview

Coordinates	7704295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H47 B F24 N2 O P Rh
Calculated formula	C52 H47 B F24 N2 O P Rh
Title of publication	Synthesis, structure and reactivity of NO<sup>+</sup>, NO˙ and NO<sup>-</sup> pincer PCN-Rh complexes.
Authors of publication	Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	21
Pages of publication	7093 - 7108
a	12.2707 ± 0.0005 Å
b	36.6662 ± 0.0014 Å
c	12.3316 ± 0.0005 Å
α	90°
β	92.264 ± 0.001°
γ	90°
Cell volume	5543.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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
252839 (current)	2020-06-05	cif/ Updating files of 7704295, 7704296, 7704297, 7704298, 7704299 Original log message: Adding full bibliography for 7704295--7704299.cif.	7704295.cif
251521	2020-05-05	cif/ Adding structures of 7704295, 7704296, 7704297, 7704298, 7704299 via cif-deposit CGI script.	7704295.cif