Crystallography Open Database

Information card for entry 4086014

Preview

Coordinates	4086014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 F10 N3 O Re
Calculated formula	C23 H16 F10 N3 O Re
Title of publication	Synthesis and Reactivity of Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes with CO: Implications for a Unique Mechanism for Migratory Insertion
Authors of publication	Robbins, Leanna K.; Lilly, Cassandra P.; Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3152
a	16.168 ± 0.006 Å
b	8.074 ± 0.002 Å
c	20.767 ± 0.008 Å
α	90°
β	118.183 ± 0.017°
γ	90°
Cell volume	2389.5 ± 1.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
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	0.0767
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4086014.cif
152886	2015-08-05	cif/ Updating files of 4086014, 4086015, 4086016 Original log message: Adding full bibliography for 4086014--4086016.cif.	4086014.cif
139929	2015-07-03	cif/ Adding structures of 4086014, 4086015, 4086016 via cif-deposit CGI script.	4086014.cif