Crystallography Open Database

Information card for entry 7049453

Preview

Coordinates	7049453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H25 Au Cl N2
Calculated formula	C25.5 H26 Au Cl N2
Title of publication	Luminescent mechanochromism of gold N-heterocyclic carbene complexes with hypso- and bathochromic spectral shifts.
Authors of publication	Seki, Tomohiro; Kashiyama, Kentaro; Ito, Hajime
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7105 - 7109
a	20.537 ± 0.002 Å
b	10.2462 ± 0.0006 Å
c	11.5862 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2438 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2233
Weighted residual factors for all reflections included in the refinement	0.2402
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation probe	x-ray
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
224464 (current)	2019-11-08	cif/ Updating files of 7049453 Original log message: Adding full bibliography for 7049453.cif.	7049453.cif
214331	2019-03-26	cif/ Adding structures of 7049453 via cif-deposit CGI script.	7049453.cif