Crystallography Open Database

Information card for entry 1562121

Preview

Coordinates	1562121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H102 Au2 Br N8 O4
Calculated formula	C82 H102 Au2 Br N8 O4
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	13.63 ± 0.002 Å
b	15.952 ± 0.002 Å
c	19.288 ± 0.003 Å
α	86.368 ± 0.004°
β	88.416 ± 0.004°
γ	78.854 ± 0.003°
Cell volume	4105.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
268621 (current)	2021-09-06	cif/ Updating files of 1562121, 1562122, 1562123, 1562124 Original log message: Adding full bibliography for 1562121--1562124.cif.	1562121.cif
264564	2021-04-27	cif/ Adding structures of 1562121, 1562122, 1562123, 1562124 via cif-deposit CGI script.	1562121.cif