Crystallography Open Database

Information card for entry 1570504

Preview

Coordinates	1570504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H61 Cl N4 O2 Pt
Calculated formula	C42 H61 Cl N4 O2 Pt
SMILES	c1ccc(C2=CC(=[O][Pt]3(O2)c2c(c4cccc[n]34)cccc2)c2ccc[nH]2)[nH]1.[Cl-].C(CCCC)[N+](CCCCC)(CCCCC)CCCCC
Title of publication	Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.
Authors of publication	Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	3
Pages of publication	964 - 973
a	21.437 ± 0.003 Å
b	8.3346 ± 0.0012 Å
c	22.655 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4047.7 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289429 (current)	2024-02-04	cif/ Updating files of 1570497, 1570498, 1570499, 1570500, 1570501, 1570502, 1570503, 1570504, 1570505, 1570506, 1570507, 1570508, 1570509 Original log message: Adding full bibliography for 1570497--1570509.cif.	1570504.cif
288054	2023-12-06	cif/ Adding structures of 1570497, 1570498, 1570499, 1570500, 1570501, 1570502, 1570503, 1570504, 1570505, 1570506, 1570507, 1570508, 1570509 via cif-deposit CGI script.	1570504.cif