Crystallography Open Database

Information card for entry 1545605

Preview

Coordinates	1545605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Cl6 Co N8 O4 Re
Calculated formula	C34 H38 Cl6 Co N8 O4 Re
Title of publication	Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.
Authors of publication	Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	16
Pages of publication	5250 - 5259
a	8.09457 ± 0.00016 Å
b	10.9775 ± 0.0002 Å
c	11.5719 ± 0.0003 Å
α	80.2539 ± 0.0019°
β	78.1007 ± 0.0019°
γ	88.8645 ± 0.0016°
Cell volume	991.52 ± 0.04 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
196416 (current)	2017-05-06	cif/ Updating files of 1545597, 1545598, 1545599, 1545600, 1545601, 1545602, 1545603, 1545604, 1545605, 1545606, 1545607 Original log message: Adding full bibliography for 1545597--1545607.cif.	1545605.cif
194372	2017-03-21	cif/ Adding structures of 1545597, 1545598, 1545599, 1545600, 1545601, 1545602, 1545603, 1545604, 1545605, 1545606, 1545607 via cif-deposit CGI script.	1545605.cif