Crystallography Open Database

Information card for entry 7125655

Preview

Coordinates	7125655.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gross191b (Pinky)
Formula	C207 H58 Cl6 F80 N20 O16 Re4
Calculated formula	C207 H58 Cl6 F80 N20 O16 Re4
Title of publication	Rhenium(i) sapphyrins: remarkable difference between the C<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>-substituted derivatives.
Authors of publication	Yadav, Pinky; Fridman, Natalia; Mizrahi, Amir; Gross, Zeev
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	6
Pages of publication	980 - 983
a	19.63 ± 0.002 Å
b	15.653 ± 0.002 Å
c	32.561 ± 0.004 Å
α	90°
β	91.963 ± 0.004°
γ	90°
Cell volume	9999 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.2072
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1836
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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
247597 (current)	2020-02-04	cif/ Updating files of 7125655, 7125656 Original log message: Adding full bibliography for 7125655--7125656.cif.	7125655.cif
245225	2019-12-17	cif/ Adding structures of 7125655, 7125656 via cif-deposit CGI script.	7125655.cif