Crystallography Open Database

Information card for entry 7700919

Preview

Coordinates	7700919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Cl N4 O4 Re
Calculated formula	C17 H18 Cl N4 O4 Re
Title of publication	Rhenium bipyridine catalysts with hydrogen bonding pendant amines for CO<sub>2</sub> reduction.
Authors of publication	Hellman, Ashley N.; Haiges, Ralf; Marinescu, Smaranda C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	38
Pages of publication	14251 - 14255
a	8.912 ± 0.003 Å
b	8.957 ± 0.003 Å
c	12.03 ± 0.004 Å
α	84.241 ± 0.005°
β	87.294 ± 0.005°
γ	79.875 ± 0.005°
Cell volume	940.1 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0206
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
224560 (current)	2019-11-08	cif/ Updating files of 7700917, 7700918, 7700919, 7700920 Original log message: Adding full bibliography for 7700917--7700920.cif.	7700919.cif
217691	2019-08-24	cif/ Adding structures of 7700917, 7700918, 7700919, 7700920 via cif-deposit CGI script.	7700919.cif