Crystallography Open Database

Information card for entry 7045374

Preview

Coordinates	7045374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H148 F12 N12 O26 Rh4 S4
Calculated formula	C124 H130 F12 N6 O26 Rh4 S4
Title of publication	Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.
Authors of publication	Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	8
Pages of publication	2769 - 2777
a	21.637 ± 0.003 Å
b	14.6321 ± 0.0017 Å
c	23.47 ± 0.003 Å
α	90°
β	100.052 ± 0.002°
γ	90°
Cell volume	7316.4 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.123
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.2271
Weighted residual factors for all reflections included in the refinement	0.2558
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
229397 (current)	2019-11-17	cif/ Updating files of 7045371, 7045372, 7045373, 7045374, 7045375, 7045376 Original log message: Adding full bibliography for 7045371--7045376.cif.	7045374.cif
205620	2018-01-25	cif/ Adding structures of 7045371, 7045372, 7045373, 7045374, 7045375, 7045376 via cif-deposit CGI script.	7045374.cif