Crystallography Open Database

Information card for entry 4122217

Preview

Coordinates	4122217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H106 B Cl2 F24 N3 O4 P2 Pt S2
Calculated formula	C122 H106 B Cl2 F24 N3 O4 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	26.0542 ± 0.0007 Å
b	18.7864 ± 0.0005 Å
c	23.4577 ± 0.0007 Å
α	90°
β	90.777 ± 0.002°
γ	90°
Cell volume	11480.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.03 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
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.	4122217.cif
121277	2014-08-05	cif/ Updating files of 4122216, 4122217, 4122218 Original log message: Adding full bibliography for 4122216--4122218.cif.	4122217.cif
119920	2014-07-10	cif/ Adding structures of 4122216, 4122217, 4122218 via cif-deposit CGI script.	4122217.cif