Crystallography Open Database

Information card for entry 1562123

Preview

Coordinates	1562123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H59 Au F6 N5 O2 P
Calculated formula	C45 H59 Au F6 N5 O2 P
Title of publication	Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.
Authors of publication	Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	21
Pages of publication	7547 - 7553
a	11.3001 ± 0.0003 Å
b	50.4909 ± 0.0013 Å
c	17.6766 ± 0.0004 Å
α	90°
β	100.564 ± 0.002°
γ	90°
Cell volume	9914.5 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268621 (current)	2021-09-06	cif/ Updating files of 1562121, 1562122, 1562123, 1562124 Original log message: Adding full bibliography for 1562121--1562124.cif.	1562123.cif
264564	2021-04-27	cif/ Adding structures of 1562121, 1562122, 1562123, 1562124 via cif-deposit CGI script.	1562123.cif