Crystallography Open Database

Information card for entry 7047293

Preview

Coordinates	7047293.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(TBA)2_1
Formula	C59 H102.5 I2 N3.5 O21 V6
Calculated formula	C59 H102.5 I2 N3.5 O21 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	26.365 ± 0.003 Å
b	17.405 ± 0.002 Å
c	16.919 ± 0.002 Å
α	90°
β	105.164 ± 0.002°
γ	90°
Cell volume	7493.5 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1219
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.2127
Weighted residual factors for all reflections included in the refinement	0.2462
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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.	7047293.cif
209895	2018-08-18	cif/ Adding structures of 7047293, 7047294, 7047295 via cif-deposit CGI script.	7047293.cif