Crystallography Open Database

Information card for entry 1568838

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Coordinates	1568838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 Au N2
Calculated formula	C29 H35 Au N2
Title of publication	Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media
Authors of publication	Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4485 - 4494
a	17.4227 ± 0.0001 Å
b	14.0371 ± 0.0001 Å
c	43.5602 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	10653.3 ± 0.14 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283148 (current)	2023-05-05	cif/ Updating files of 1568831, 1568832, 1568833, 1568834, 1568835, 1568836, 1568837, 1568838, 1568839, 1568840, 1568841, 1568842, 1568843, 1568844, 1568845, 1568846, 1568847, 1568848, 1568849, 1568850, 1568851, 1568852, 1568853, 1568854 Original log message: Adding full bibliography for 1568831--1568854.cif.	1568838.cif
282596	2023-04-12	cif/ Adding structures of 1568831, 1568832, 1568833, 1568834, 1568835, 1568836, 1568837, 1568838, 1568839, 1568840, 1568841, 1568842, 1568843, 1568844, 1568845, 1568846, 1568847, 1568848, 1568849, 1568850, 1568851, 1568852, 1568853, 1568854 via cif-deposit CGI script.	1568838.cif