Crystallography Open Database

Information card for entry 4122216

Preview

Coordinates	4122216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H101 B Cl2 F24 N O5 P2 Pt S2
Calculated formula	C118 H101 B Cl2 F24 N O5 P2 Pt S2
Title of publication	A multi-state, allosterically-regulated molecular receptor with switchable selectivity.
Authors of publication	Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	29
Pages of publication	10340 - 10348
a	10.8914 ± 0.0004 Å
b	23.607 ± 0.0006 Å
c	24.1102 ± 0.0007 Å
α	66.568 ± 0.0018°
β	79.589 ± 0.002°
γ	89.848 ± 0.002°
Cell volume	5577.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.06 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179024 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/22.	4122216.cif
121277	2014-08-05	cif/ Updating files of 4122216, 4122217, 4122218 Original log message: Adding full bibliography for 4122216--4122218.cif.	4122216.cif
119920	2014-07-10	cif/ Adding structures of 4122216, 4122217, 4122218 via cif-deposit CGI script.	4122216.cif