Crystallography Open Database

Information card for entry 7045372

Preview

Coordinates	7045372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H157 F12 N19 O14 Rh4 S4
Calculated formula	C140 H142 F12 N14 O14 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	13.342 ± 0.0015 Å
b	22.628 ± 0.003 Å
c	25.834 ± 0.003 Å
α	95.573 ± 0.002°
β	90.823 ± 0.002°
γ	104.286 ± 0.002°
Cell volume	7516.5 ± 1.6 Å³
Cell temperature	202 ± 2 K
Ambient diffraction temperature	202 ± 2 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	0.1572
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2623
Weighted residual factors for all reflections included in the refinement	0.3192
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7045372.cif
205620	2018-01-25	cif/ Adding structures of 7045371, 7045372, 7045373, 7045374, 7045375, 7045376 via cif-deposit CGI script.	7045372.cif