Crystallography Open Database

Information card for entry 7036553

Preview

Coordinates	7036553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 Br N3 O3 Re
Calculated formula	C9 H7 Br N3 O3 Re
SMILES	Br[Re]1(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1N
Title of publication	Hydrazine-mediated strongly coupled Re(CO)3 dimers.
Authors of publication	Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	39
Pages of publication	17268 - 17277
a	6.477 ± 0.003 Å
b	8.265 ± 0.003 Å
c	12.881 ± 0.005 Å
α	95.607 ± 0.004°
β	93.095 ± 0.004°
γ	97.211 ± 0.004°
Cell volume	679.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
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.	7036553.cif
161233	2015-10-09	cif/ Updating files of 7036549, 7036550, 7036551, 7036552, 7036553 Original log message: Adding full bibliography for 7036549--7036553.cif.	7036553.cif
156714	2015-09-17	cif/ Adding structures of 7036549, 7036550, 7036551, 7036552, 7036553 via cif-deposit CGI script.	7036553.cif