Crystallography Open Database

Information card for entry 1557791

Preview

Coordinates	1557791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cl2 N4 O Pt
Calculated formula	C20 H16 Cl2 N4 O Pt
SMILES	[Pt]12(Cl)[n]3c(cccc3)c3cc(c4ncccc4)cc([n]23)c2cccc[n]12.[Cl-].O
Title of publication	Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity.
Authors of publication	Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako
Journal of publication	Faraday discussions
Year of publication	2021
Journal volume	225
Pages of publication	184 - 196
a	5.3046 ± 0.0001 Å
b	21.6781 ± 0.0003 Å
c	15.9776 ± 0.0002 Å
α	90°
β	94.542 ± 0.001°
γ	90°
Cell volume	1831.55 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
261711 (current)	2021-02-05	cif/ Updating files of 1557791, 1557792, 1557793 Original log message: Adding full bibliography for 1557791--1557793.cif.	1557791.cif
250759	2020-04-15	cif/ Adding structures of 1557791, 1557792, 1557793 via cif-deposit CGI script.	1557791.cif