Crystallography Open Database

Information card for entry 4125474

Preview

Coordinates	4125474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H58.49 N2 O P2 S8 V
Calculated formula	C62 H58 N2 O P2 S8 V
Title of publication	Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence.
Authors of publication	Graham, Michael J.; Yu, Chung-Jui; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Freedman, Danna E.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	8
Pages of publication	3196 - 3201
a	10.663 ± 0.006 Å
b	12.686 ± 0.007 Å
c	22.853 ± 0.013 Å
α	103.838 ± 0.01°
β	98.039 ± 0.011°
γ	98.816 ± 0.011°
Cell volume	2916 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	99.93 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
193478 (current)	2017-03-04	cif/ Updating files of 4125472, 4125473, 4125474 Original log message: Adding full bibliography for 4125472--4125474.cif.	4125474.cif
192542	2017-03-01	cif/ Adding structures of 4125474 via cif-deposit CGI script.	4125474.cif