Crystallography Open Database

Information card for entry 7234390

Preview

Coordinates	7234390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 N3 O Pt
Calculated formula	C36 H39 N3 O Pt
SMILES	[Pt]123c4c(c5cccc6n(c([n]2c56)c2c(O1)cccc2)CC(CC)CCCC)cc(cc4c1[n]3cccc1)C(C)(C)C
Title of publication	Strongly phosphorescent platinum(ii) complexes supported by tetradentate benzazole-containing ligands
Authors of publication	Bin Wang; Feng Liang; Hailiang Hu; Yuan Liu; Zhenhui Kang; Liang-Sheng Liao; Jian Fan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	8212 - 8218
a	6.9855 ± 0.0008 Å
b	14.6481 ± 0.0017 Å
c	29.888 ± 0.003 Å
α	90°
β	94.743 ± 0.002°
γ	90°
Cell volume	3047.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0893
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
219098 (current)	2019-10-04	cif/ Adding structures of 7234390 via cif-deposit CGI script.	7234390.cif