Crystallography Open Database

Information card for entry 1559132

Preview

Coordinates	1559132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H110 F12 N4 O28 Rh4 S8
Calculated formula	C86 H84 F4.5 N4 O13 Rh4 S5.5
SMILES	[Rh]123456([n]7ccc(cc7)c7csc8c7scc8c7cc[n]([Rh]89%10%11%12(Oc%13c(O8)cc8O[Rh]%14%15%16%17([n]%18ccc(c%19c%20scc(c%21cc[n]([Rh]%22%23%24%25%26(Oc%27cc(O2)c(O1)cc%27O%22)[c]1([c]%26([c]%25([c]%24([c]%231C)C)C)C)C)cc%21)c%20sc%19)cc%18)(Oc8c%13)[c]1([c]%17([c]%16([c]%15([c]%141C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)cc7)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.CO
Title of publication	A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes
Authors of publication	Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Chemical Science
Year of publication	2020
a	71.953 ± 0.014 Å
b	17.886 ± 0.005 Å
c	37.342 ± 0.008 Å
α	90°
β	96.315 ± 0.008°
γ	90°
Cell volume	47766 ± 19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1527
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.2573
Weighted residual factors for all reflections included in the refinement	0.3086
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256606 (current)	2020-09-22	cif/ Adding structures of 1559132, 1559133, 1559134 via cif-deposit CGI script.	1559132.cif