Crystallography Open Database

Information card for entry 7042386

Preview

Coordinates	7042386.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DEP-03-529-1b
Formula	C29 H40.5 B F4 N5.5 O Re
Calculated formula	C29 H40.5 B F4 N5.5 O Re
Title of publication	Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.
Authors of publication	Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4609 - 4616
a	22.3852 ± 0.0005 Å
b	14.7691 ± 0.0003 Å
c	19.6678 ± 0.0005 Å
α	90°
β	104.123 ± 0.001°
γ	90°
Cell volume	6305.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
196448 (current)	2017-05-06	cif/ Updating files of 7042384, 7042385, 7042386 Original log message: Adding full bibliography for 7042384--7042386.cif.	7042386.cif
194119	2017-03-09	cif/ Adding structures of 7042384, 7042385, 7042386 via cif-deposit CGI script.	7042386.cif