Crystallography Open Database

Information card for entry 4125455

Preview

Coordinates	4125455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H92 F12 N8 O28 Rh4 S4
Calculated formula	C81 H76 F12 N8 O25 Rh4 S4
Title of publication	Stacking Interactions Induced Selective Conformation of Discrete Aromatic Arrays and Borromean Rings.
Authors of publication	Zhang, Long; Lin, Lin; Liu, Dong; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	4
Pages of publication	1653 - 1660
a	15.5584 ± 0.0017 Å
b	25.541 ± 0.003 Å
c	25.687 ± 0.003 Å
α	90°
β	107.332 ± 0.002°
γ	90°
Cell volume	9744 ± 1.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1365
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2396
Weighted residual factors for all reflections included in the refinement	0.2717
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
193499 (current)	2017-03-04	cif/ Updating files of 4125454, 4125455, 4125456, 4125457, 4125458, 4125459, 4125460, 4125461 Original log message: Adding full bibliography for 4125454--4125461.cif.	4125455.cif
192527	2017-03-01	cif/ Adding structures of 4125454, 4125455, 4125456, 4125457, 4125458 via cif-deposit CGI script.	4125455.cif