Crystallography Open Database

Information card for entry 7047295

Preview

Coordinates	7047295.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(TBA)2_2e
Formula	C68 H120 Cl4 N4 O23 V6
Calculated formula	C66 H112.86 N4 O23 V6
Title of publication	The Heck reaction as a tool to expand polyoxovanadates towards thiol-sensitive organic-inorganic hybrid fluorescent switches.
Authors of publication	Linnenberg, Oliver; Mayerl, Lisa; Monakhov, Kirill Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	41
Pages of publication	14402 - 14407
a	19.5526 ± 0.0011 Å
b	15.1317 ± 0.0008 Å
c	30.7827 ± 0.0017 Å
α	90°
β	107.338 ± 0.001°
γ	90°
Cell volume	8693.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2147
Weighted residual factors for all reflections included in the refinement	0.2563
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
229345 (current)	2019-11-17	cif/ Updating files of 7047293, 7047294, 7047295 Original log message: Adding full bibliography for 7047293--7047295.cif.	7047295.cif
209895	2018-08-18	cif/ Adding structures of 7047293, 7047294, 7047295 via cif-deposit CGI script.	7047295.cif