Crystallography Open Database

Information card for entry 4125461

Preview

Coordinates	4125461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H144 F12 N8 O38 Rh4 S4
Calculated formula	C105 H96 F9 N8 O23 Rh4 S3
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	27.5131 ± 0.0009 Å
b	16.0386 ± 0.0005 Å
c	34.0114 ± 0.0011 Å
α	90°
β	112.28 ± 0.001°
γ	90°
Cell volume	13887.8 ± 0.8 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	0.0818
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4125461.cif
192529	2017-03-01	cif/ Adding structures of 4125460, 4125461 via cif-deposit CGI script.	4125461.cif